Booklet - CQB - Universidade de Lisboa

Transcrição

Centro de Química e Bioquímica, DQB
Faculdade de Ciências, Universidade de Lisboa
Campo Grande
1749-016 Lisboa, Portugal
Phone: (351) 21 750 0000
Fax: (351) 21 750 0088
http://cqb.ciencias.ulisboa.pt/
CQB
The Centro de Química e Bioquímica was founded in 2001 aiming at creating an
environment oriented toward fruitful collaborations between chemistry and
biochemistry. The multidisciplinary teams working in the experimental and
theoretical labs within CQB involve approximately sixty PhD members and more
than one hundred collaborators, most of them PhD and Master students. The
lively and youthful atmosphere of the Faculdade de Ciências extends to CQB
and is further amplified by the large number of international collaborations and
programs (students from ERASMUS, IAESTE and others).
We conduct fundamental research disseminated by recognized peer-reviewed
scientific journals, and the high number of citations reflects its relevance to the
scientific community worldwide.
CQB research is organized in two thematic lines, aligned with the Societal
Challenges defined in Horizon 2020 EU, the priorities for the regional
development of the Lisbon area, and taking advantage of the consolidated skills
of CQB members:
Chemistry and Biochemistry for a Clean Environment
Healthy Life: Molecular Interventions and Regulation Mechanisms
I invite you to read this pages, visit our web pages and know more about us and
our research!
Lisbon, June 20, 2016
Maria José Calhorda
(CQB coordinator)
Photo: CQB day – September 2015
Index
Mission
1
Who are we
2
Indicators
4
Funding
5
Projects
6
Achievements
8
Participation in National & International Organizations
12
Networking
14
Smart Specialization
17
Knowledge Transfer
18
Outreach activities
19
The Thematic Lines
21
22
Healthy Life: Molecular Interventions and Regulation Mechanisms
27
Groups & Highlights
31
CQB Publications
78
Equipment
99
Mission
The mission of CQB is grounded on three pillars: to
investigate challenging problems in chemistry and
biochemistry, to train the next generation of highly skilled
chemists and biochemists, and to create social, economic and
cultural value from scientific knowledge.
CQB has….

Excellence in scientific production

Research goals aligned with EITHealth, H2020 and the Strategic
Priorities for the Region of Lisbon, namely those concerning the

Networking in EIP AHA, EITHealth – INNOStar, COST programs, Soft
Matter@PT Network, Health Cluster Portugal, Colleges “Brain” and
“3F (Farm, Food, Forestry)” at ULisboa.

A collaborative culture, as attested by joint programs with industry
and academia at the national and international level

Privileged interactions with Municipalities and Society
1
Who are we?
64 Members
Investigador FCT
11%
University Staff
60%
126 Collaborators
Volunteers
18%
Post-Doc
29%
PhD
collaborators
21%
76 Students
Students
61%
PhD Industry
4% Undergraduates
11%
Visitors
5%
MSc
55%
PhD
25%
62
62
40
24
Members
2
Collaborators
Who we are?
12 Research Groups
AAM
CC
EMBS
E
ITC
IE
MB
ME
RB
SST
SSC
SR
Groups network
Adsorption and Adsorbent Materials
Carbohydrate Chemistry
Environmental and Biological Mass Spectrometry
Enzymology
Inorganic and Theoretical Chemistry
Interfacial Electrochemistry
Molecular Biophysics
Molecular Energetics
Redox Biology
Separation Science and Technology
Solid State Chemistry
Structure and Reactivity
3
CQB Indicators
PhD theses
MSc theses
Publications
140
120
100
80
60
40
20
0
2011
2012
2013
2014
2015
Year
In 2015, publications included
• 17% with international collaborations In 2016
• 23% with internal collaborations
• 71 papers in International peer
• 6% in Top 5% journals
reviewed journals & 45 submitted
• 14 Book Chapters
Indicators
2011
2012
2013
2014
2015
Members
60
66
64
61
63
PhD theses
14
9
12
5
9
MSc theses
Papers in International peer
reviewed journals
International
books/book chapters
Patents
31
28
22
27
24
101
109
99
117
90
1
14
6
1
6
5
7
3
1
6
 516 Papers 2011- 2015
~ 103 / year
• Hundreds of oral & poster presentations
in international conferences each year
• Organization of national and
international conferences
4
600
25
500
20
400
Nr. Grants
k€
CQB funding
15
300
21
200
10
15
5
100
5
2
0
PhD
Post Doc
Investigador
FCT
(starting)
0
Investigador
FCT
(developing)
k€
3500
3000
2500
2000
1500
1000
500
0
Grants
Services
Projects
(end 2015)
CQB funding
 9 500 000 €
5
Ongoing Projects
CQB projects
Project Title
end 2015
• Smart polymer switches for green CO2 capture, F. Calouste Gulbenkian
• Anchoring of metal nanoparticles on graphene hybrid assemblies with photoactive
molecules, FCT
• BIONANOMINE: bio-synthesis of nanosized semiconductors using mine wastes as
material sources and environmentally friendly applications, FCT
• Core@shell magnetic nanoparticles for cancer therapy by hyperthermia, FCT
• Development and optimization of an all-atom force field for crystalline organic
compounds, FCT
• Development of conducting polymer based electrocatalysts for oxygen reduction in
direct borohydride fuel cells, FCT
• Frombluetoglue: expression and purification of sea urchin adhesive proteins - screening
for new bioadhesives, FCT
• Halophytes: a precious resource of nutritional elements and bioactive compounds, FCT
• Maroc - morphology-activity relationship in oxidation catalysis, FCT
• Metabolic markers of downy mildew resistance in grapevine, FCT
• Mob1 protein: a critical factor in toxoplasma gondii replication, FCT
• Old tools for new solutions: bio-inspired antimicrobial peptides for bacterial infections
control, FCT
• Asthma - future asthma management helped by non-invasive sampling: contributes for the
definition of a rapid and non-invasive diagnostic tool, FCT
• TTR amyloid bril formation in vivo - looking beyond genetic factors, FCT
• Desenvolvimento de novas interfaces para a construção de biossensores de marcadores
tumorais e para detecção de BOD, FCT/DREBM
• Desenvolvimento de revestimentos e/ou materiais poliméricos anti-bioincrustrantes
sem lixiviação de agentes tóxicos para o ambiente, contract
• Pera Rocha study of its organic constituents and potential nutritional interest, contract
• Carbohydrates as organic raw materials (CORM) V (conference) - building a sustainable
future (CORMV), POCTI
6
CQB projects
2016
starting/ongoing
Project Title
• Integração de marcas naturais e artificiais para resconstruir migrações de peixes e
alterações ortogénicas de nicho, COMPETE
•
Diagnostic and drug discovery initiative for alzheimer's disease, EC
• Life-impetus: improving current barriers for controlling pharmaceutical compounds in
urban wastewater treatment plants, EC
• Personalised ICT supported service for independent living and active ageing, EC
• Biomimetic/nanobioconjugates flexible platforms for sensitive immunosensing, FCT
• CO2 mitigation and production of methanol by reforming of CH4, FCT
• CpHMD-L simulations of pHLIP peptides: design of new tumor-targeted drug delivery
systems, FCT
• Halogen bonds in (bio)chemical systems: a theoretical approach for ‘real world’
applications, FCT
• Multifunctional luminescent spin labile hybrid materials, FCT
• Novel nanostructured electrodes towards optimal biosensing, FCT
• Revealing amyloid fibril formation through the ions of mass spectrometry, FCT
• Sphingolipid organization in the plasma membrane of saccharomyces, FCT
• Synthesis of nucleotide mimics as potential antitumor agents targeting cyclin-dependent
kinases, FCT
• The architecture of life: probing the quaternary structure of virus capsids by native mass
spectrometry, FCT
• Titanate nanotubes photosensitization by narrow bandgap semicondutor nanoparticles,
FCT
• Anion transmembrane transport promoted by drug-like molecules: building a library of
anion carriers inspired in ataluren (PTC124), FCT/COMPETE
• Overcoming environmental problems associated with antifouling agents: synthesis of
natureinspired nontoxic biocides and immobilization in polymeric coatings, FCT/COMPETE
7
Achievements - Investigador FCT
7 successful applications in the 2012, 2013 and 2014 calls
CQB applications had a high degree of success as compared with the national
average rate in this highly competitive program.
Researchers and projects
2012 Call
 Carla D. Nunes, Developing Grant: Innovative concepts in asymmetric
catalysis
 Rodrigo F. M. de Almeida, Developing Grant: Tackling membrane lipid
organization to understand and refine drug mechanisms of action
2013 Call
 Ana S. Viana, Starting Grant: Novel nanostructured electrodes towards
optimal biosensing
 Nuno M. Xavier, Starting Grant: Synthesis of nucleotide mimics as
potential antitumor agents targeting cyclin-dependent kinases
2014 Call
 Gonçalo Costa, Starting Grant: Revealing amyloid fibril formation through
the ions of mass spectrometry
 Olinda Monteiro, Starting Grant: Titanate nanotubes photosensitization
by narrow bandgap semicondutor nanoparticles
 Paulo Costa, Starting Grant: Halogen bonds in (bio)chemical systems: a
theoretical approach for ‘real world’ applications
FCT investigator program is a researcher-centered, highly competitive
scheme, aimed at providing 5-year support for the most talented and
creative researchers, capable of carrying out independent research and
becoming leaders in their fields. info: www.fct.pt
8
Achievements – Papers 2015/16
Top 1% SCIMAGO
Layered Double Hydroxide Nanocluster: Aqueous, Concentrated, Stable, and Catalytically-Active
Colloids towards Green Chemistry
Y.Tokudome, T.Morimoto, N.Tarutani, P. D. Vaz, C. D. Nunes, V. Prevot, G. Stenning, M. Takahashia
ACS Nano, 2016, 10, 5550–5559. IF: 12.881, Q1
Top 5% SCIMAGO
Enhanced clofibric acid removal by activated carbons: Water hardness as a key parameter, A. S.
Mestre, A. Nabiço, P. L. Figueiredo, M. L. Pinto, M. S.C.S. Santos, I.M. Fonseca, Chemical Engineering
Journal 286 (2016) 538-548. IF: 4.321
Dynamic spin interchange in a tridentate Fe(III) Schiff-base compound, A. I. Vicente, A. Joseph, L.
P. Ferreira, M. D. Carvalho, V. H. N. Rodrigues, M. Duttine, H. P. Diogo, M. E. Minas da Piedade,
M. J. Calhorda and P.Martinho ,Chem. Sci., 2016, IF: 9.211,Q1
Isololiolide, a carotenoid metabolite isolated from the brown alga Cystoseira tamariscifolia,…,
increased p53 expression and PARP cleavage, C.Vizetto-Duarte, L.Custódio, K.N. Gangadhar, J.H.G.
Lago, C.Dias, A.M.Matos, N. Neng, J. Nogueira, L. Barreira, F.Albericio, A. P. Rauter, J.Varela,
Phytomedicine, 2016, 23(5), 550–557. IF: 3.126
pKa values of titrable amino acids at the water/membrane interface, V.H. Teixeira, D. Vila-Viçosa,
P.B.P. S. Reis, M. Machuqueiro, J.Chem. Theory Comput., 2016, 12, 930-934. IF: 5.498
Comment on “Theoretical studies on a carbonaceous molecular bearing: association
thermodynamics and dual-mode rolling dynamics”, E. M. Cabaleiro-Lago, J. Rodríguez-Otero, A. Gil,
Chem. Sci., 2016, 7, 2924-2928. IF: 9.211
Opening the Way to Catalytic Aminopalladation/Proxicyclic Dehydropalladation: Access to
Methylidene γ-Lactams, M. M. Lorion, F. J. S. Duarte, M. J. Calhorda, J. Oble, G. Poli, Org. Letters
2016, 18, 1020–1023. IF: 6.364
Kinetics and Mechanism of the Thermal Dehydration of a Robust and Yet Metastable Hemihydrate
of 4-Hydroxynicotinic Acid, A. Joseph, C. E. S. Bernardes, A. S. Viana, M. F. M. Piedade, M. E. Minas
da Piedade, Cryst. Growth Des. , 2015, 15, 3511-3524. IF: 4.89
Wittig Reaction: Domino Olefination and Stereoselectivity DFT Study. Synthesis of the
Miharamycins' Bicyclic Sugar Moiety, V. Cachatra, A. Almeida, J. Sardinha, S. D. Lucas, A. Gomes, P.
D. Vaz, M. H. Florêncio, R. Nunes, D. Vila-Viçosa, M. J. Calhorda, and A. P. Rauter , Org. Lett., 2015,
17, 5622–5625. IF: 6.3
Constant-pH MD simulations of DMPA/DMPC lipid bilayers, H. A. F., Santos , D. Vila-Viçosa, V. H.
Teixeira, A. M. Baptista, M. Machuqueiro, J. Chem. Theory Comput., 2015, 11, 5973-5979. IF: 5.498
Constant-pH MD simulations of an oleic acid bilayer, D. Vila-Viçosa, V. H. Teixeira, A. M. Baptista,
M. Machuqueiro, J. Chem. Theory Comput., 2015, 11, 2367–2376. IF: 5.498
How the intercalation of phenanthroline affects the structure, energetics and bond properties of
DNA base pairs. Theoretical study applied to adenine-thymine and guanine-cytosine tetramers, A.
Gil, V. Branchadell, M.J. Calhorda, J. Chem. Theory Comput., 2015, 11, 2714–2728. IF: 5.498
9
Achievements – Papers & Prizes
Key Scientific Articles classified by
Enhanced clofibric acid removal by activated carbons: water hardness as a
key parameter
A.S. Mestre, A. Nabiço, P.L. Figueiredo, M.L. Pinto, M.S.C.S. Santos, I.M.
Fonseca.
Chemical Engineering Journal 2016, 286, 538–554. IF: 4.321, Q1 (Top 5%)
Extended Summary published online, by invitation, in the section
“Infection and Immunity” of World Biomedical Frontiers, 2015:
Molecular details of INH-C10 binding to wt KatG and to its S315T mutant
V.H. Teixeira, C. Ventura, R. Leitão, C. Rafols, E. Bosch, F. Martins, M.
Machuqueiro, Molecular Pharmaceutics 2015, 12, 898. IF: 4.787, Q1 (Top 10%).
The InovCarbon project promoted by Ana S. Mestre and Ana P. Carvalho
won the 1st prize in the Call for Projects do ScienceIN2Business,
organized by FCUL and Tec Labs in the 2016 edition. Besides the monetary prize
the researchers will integrate an acceleration program on Tec Labs. The project
development will also have the support of Miguel Ferreira e Paulo Sousa
Marques from Shark Tank Portugal, from the jury.
Tribute to Portuguese Women Scientists by Ciência Viva to M. J.
Calhorda, May 2016.
Wiley poster prize award for the poster Synthesis of new sugar-based
surfactants with anti-ageing potential and antimicrobial activity against grampositive bacteria, presented in 7th Spanish-Portuguese-Japanese Organic
Chemistry Symposium, Seville, June 2015.
MedChemComm Poster Prize, awarded by the Royal Society of Chemistry
for the poster Genista tenera as a source of innovative molecular leads with
activity against diabetes and related amyloid disorders: phytochemistry,
synthesis and mechanism of action, presented at the 19th European
Symposium on Organic Chemistry, Lisboa, July 2015.
10
Achievements - Images
Image displayed in 2015 at the Homepage of the
Sociedad de Biofísicos Latino Americanos (SOBLA)
In : de Almeida, R.F.M.* and Joly, E.*, 2014. Crystallization around
solid-like nanosized docks can explain the specificity, diversity and
stability of membrane microdomains. Front Plant Sci. 5;5:72.
Cover
Thermophysical properties of 1-butyl1-methyl-pyrrolidinium dicyanamide +
H2O mixtures
M.C. Cumicheo, L.C.S. Nobre, A.F. Santos,
I.M.S. Lampreia, M. S.C.S. Santos, F.J.V.
Santos, H. Segura and C.A. Nieto de
Castro.J. Chem. Eng. Data 2015, 60,
3766−3775. IF: 2.037, Q1
Graphical Abstract included in issue Cover
11
Participation in National & International
organizations
Participation in editorial boards and special issues of international
scientific journals

Editor of the Royal Society of Chemistry Book Series Specialist Periodical
Reports entitled Carbohydrate Chemistry – Chemical and Biological
Approaches (A. P. Rauter)

Editor of Boletin del Grupo Español del Cárbon, nr. 39 (Ana P. Carvalho)

Editors of Boletin del Grupo Español del Cárbon, nr. 40 (Ana S. Mestre, M.
A. Andrade and M. Galhetas)

Academic Editor of PLOS ONE (M. Machuqueiro)

Associate Editor of Mediterranean Journal of Chemistry (A. P. Rauter)

Associate Editor of Frontiers in Cell and Developmental Biology (F. Antunes)

Associate Editor of RSC Advances (P. D. Vaz)

Advisory Board of Journal of Chemical Thermodynamics (M.Minas da
Piedade)

Advisory Board of European Journal of Organic Chemistry (A. P. Rauter)

Editorial Board of Journal of Carbohydrate Chemistry (A. P. Rauter)

Editorial Board of Drug Design Methodologies and Modern Medicinal
Chemistry (A. P. Rauter)

Editorial Board of Frontiers in Membrane Physiology and Biophysics (R. F.
M. de Almeida)

Member of the Distinguished Board of Reviewers of Journal of
Radioanalytical and Nuclear Chemistry, (A.P. Paiva) since 1993
12
Participation in National & International
Organizations
Participation in decision-making bodies and in International and
National Organizations, Committees and Divisions
• Sociedade Portuguesa de Química, President (M.J. Calhorda)
• IUPAC Division (VIII) of Chemical Nomenclature and Structure Representation,
National Representative (A. P. Rauter)
• IUPAC Interdivisional Committee on Terminology, Nomenclature and Symbols
(ICTNS) Division VIII representative (A. P. Rauter)
• IUPAC Division (III) of Organic and Biomolecular Chemistry, Associate member and
Secretary (A. P. Rauter)
• Member of the LisbonLiving+ Consortium (A. P. Rauter)
• Member of the UL network for Health (A.P. Rauter)
• Member of UL Food, Farm and Forestry College (A.P. Rauter)
• Member of COST international Evaluation Panel (A. P. Rauter)
• FCUL Sponsor of the FCT-PhD Program Catalysis and Sustainability (CATSUS) (M.J.
Calhorda)
• International Society of Electrochemistry, National Representative (J.Correia)
• International Carbohydrate Organisation National Representative (A. P. Rauter)
• European Carbohydrate Organisation Secretary (A.P. Rauter)
• Rede Nacional de Espectrometria de Massa (M. H. Florêncio: Coordinator)
• Rede Procura: Associação Portuguesa de Proteómica (A. Ferreira, Member of Audit
Committee Board and C. Cordeiro, Secretary of the General Council)
• Conselho Geral da Universidade de Lisboa (H.Florêncio)
• Autoridade da Segurança Alimentar e Económica, ASAE (H.Florêncio)
13
CQB Networking
The European Innovation Partnership on Active and Healthy
Ageing (EIP AHA), Action Group A3
 Prevention of functional decline and frailty
 More than 70 consortia and institutions
 CQB belongs to the FCUL consortium
CQB activities and deliverables:
 Interactive website to educate the general public (functional foods for
disease prevention)
 e-learning courses
 chemical and biological approaches towards innovative molecular entities
and functional food ingredients
 understanding the mechanisms of frailty and ageing
 novel high-added products from biomass
14
CQB Networking
CMST COST Action CM1102 - Multivalent Glycosystems for Nanoscience –
MultiGlycoNano (2011-2015), MC and WG4
CMST COST Action CM1205 - Catalytic Routines for Small Molecule Activation
(CARISMA) (2013-2017), MC and WG2
CMST COST Action CM1301 - Chemistry for ELectron-Induced Nanofabrication
(CELINA) (2013-2017), MC and WG2
CMST COST Action CM1302 - European Network on Smart Inorganic Polymers
(SIPs), 2013-2017, MC and WG2
CMST COST Action CM1303 - Systems Biocatalysis (2013-2017), MC and WG5
CMST COST Action CM1305 - Explicit Control Over Spin-states in Technology
and Biochemistry (ECOSTBio) (2014-2018), MC
CMST COST Action CM1307 - Targeted chemotherapy towards diseases caused
by endoparasites (2014-2018), WG
CMST COST Action CM1402 - From molecules to crystals - how do organic
molecules form crystals? (Crystallize) (2014-2018), MC, WG1, WG2, and WG4
FA COST Action FA1403 – Inter individual variation in response to consumption
of plant food bioactives and determinants involved (POSITIVe)(2014-2018), MC
BMBS COST Action BM1102 - Ciliates as model systems to study genome
evolution, mechanisms of non-Mendelian inheritance, and their roles in
environmental adaptation (2011-2015),MC
CMST COST Action CM1406 - Epigenetic Chemical Biology (2015-2019), MC
TD COST Action TD1402 - Multifunctional Nanoparticles for Magnetic
Hyperthermia and Indirect Radiation Therapy (RADIOMAG) (2014-2018), MC
BMBS COST Action BM1403 - Native Mass Spectrometry and Related Methods
for Structural Biology (2014-2018), MC
MPNS COST Action MP1302 - NanoSpectroscopy (2013-2017), WG
CMST COST Action CM1404 - Chemistry of Smart Energy Carriers and
Technologies (SMARTCATS) (2014-2018), MC and WG1
TD COST Action TD1305- iPROMEDAI: Improved Protection of Medical Devices
Against Infection (2014-2018), WG
ESSEM COST Action ES1407- European network for innovative recovery
strategies of rare earth and other critical metals from electric and electronic
waste (ReCreew)
15
MC- Management committee
WG- Working Group
CQB Networking
EIT-KIC/IVE/0051/2013
The European Institute of Innovation and Technology (EIT) has
launched an application to a Knowledge and Innovation Community
(KIC) on Healthy Life and Active Ageing
↘
↘
↘
FCT approved the project EIT-KIC/IVE/0051/2013 to prepare the
application
CQB is one of the founders of the consortium LisbonLiving+ built within
this project. This consortium involves Industry, Governmental bodies
and Academia partners.
The application to KIC was successful and EIT Health approved and
currently being developed.
7th Sino-Portuguese Scientific and Technological
Cooperation, 2013-2015
↘ The Construction of Novel Sensitive Biosensing
Interfaces for Tumor Marker and BOD Detection.
16
Collaboration with Laboratório de Polícia Científica da
Polícia Judiciária
Identification of new psychoactive substances marketed as recreational drugs
in Portugal.
4F-PBP a Novel NPS identified in seized
products at Portugal
Contracts and research projects with national and
international Industries, collaboration with high-tech SMEs,
and governmental bodies, to develop:
 New materials to monitor/ remove/ degrade priority
pollutants in complex matrices (e.g. drinking water) with
much higher efficiency and lower cost than current
procedures.
 Innovative procedures for the recovery of Pt-group
metals from hydrometallurgical chloride leaches.
 Correlations of traditional knowledge with scientific
evidence for Portuguese flora, as a source of functional
foods and nutraceuticals.
 The energetic valorization of olive-mill wastewaters and
of cork industry by-products.
 Development and application of new active substances
with phytopharmaceutical use.
 The identification of bioactive compounds in marine
fauna and flora resources.
 Partnerships to assess biological activities towards causative bacterial agents of
global health threats.
 Collaboration with PARALAB and NETZSCH on testing the Premium Differential
Scanning Calorimeter, DSC 204 F1 Phoenix
 Contract between Laboratórios Atral S.A. and CQB for analytical services
 Collaboration with Autoridade de Segurança Alimentar e Económica
17
Knowledge Transfer
CQB was involved in launching three start-up companies:
Filtering media for
improving indoor air quality
New marine leads
Bio-additives for marine
antifouling paints
CQB Patents 2013-2016
 Two-Component Natural Polymeric Water-Based Glues obtained from Derivatives
of Cork. WO 2015034383 A1, 2015.
 Functionalisation process for the biocides immobilisation in polymeric matrixes,
E. R. Silva, O. Ferreira, J. C.M. Bordado, Patent PT Nº 108096, 2015 and
PCT/PT2015/000050 (108096).
 Colas Naturais de Base aquosa, de dois componentes, obtidas a partir de
Derivados de cortiça (Water-based natural glues obtained from cork derivatives).
PT107143, 2013.
 Utilization of olive bagasse as acetylcholinesterase inhibitor for cholinergic
diseases. PT105914B, 2013.
 Applications of antioxidant and antiproliferative natural products from alfarroba
biomass. PT105731B, 2013.
 New C-glycosylpolyphenol antidiabetic agents, effect on glucose tolerance and
interaction with beta-amyloid. Therapeutic applications of the synthesized
agent(s) and of Genista tenera ethyl acetate extracts containing some of those
agents. WO201313247OA2, 2013
 Compostos derivados de açúcar inibidores de espécies de bacillus, processo de
obtenção e respectivas utilizações. PT105475, 2011. (Pending Patent)
18
Outreach Activities
↗ CQB organizes annual meetings open to the academia and society, such as
the CQB day and workshops, to stimulate joint research and enhance public
visibility.
CQB day
15 de Setembro
2015
↗ Set-up of a website (in Portuguese, 2012) to provide the general public with
scientific information about antioxidants
http://antioxidantes.fc.ul.pt/
↗Involvement in “Ciência Viva”: European Researchers Night & Semana da
Ciência e Tecnologia
↗ Talks, demonstrations and quizzes on FCUL Open Days and Futurália
↗ Radio/TV broadcasts to comment scientific discoveries
↗ Press Releases
↗ Innovation week, promoted by ULisboa
↗ Ciência 2016, event promoted by FCT
↗ Workshop to launch the Nutriageing website
↗Festival da Vida Saudável, co-organized by the Lisbon Municipality, to
announce PERSSILAA project and the Nutriageing website to the general public
19
Outreach Activities

Porque é que o Space Shuttle não anda a gasolina?
Video presention on the frame of Saber Porquê, O Programa o Mundo na
Escola,
promoted
by
Ministério
da
Educação
e
Ciência
(www.mundonaescola.pt)

Short training/updating courses for secondary school teachers

School Visits to CQB and researchers visits to schools

Olimpíadas da Química Júnior, organized by SPQ

Ser cientista, is a program that aims to provide high school students an
approach to the reality of scientific research by the temporary integration
into work routines from different scientific areas of science.

A Tabela Periódica no Dia Mundial do Ambiente

Erasmus +
• Staff mobility for teaching and training activities, La Sapienza University,
Rome, Italy, May 2015
• Staff mobility for teaching and training activities, Ljubljana University,
Ljubljana, Slovenia, April 2016
• International Week, University of Foggia, Italy, June 2015
20
21
Thematic Lines
Coordination: Carla D. Nunes
(FCT Principal Investigator)
MCM-41-Mo is an agent for rhodamine B degradation
Healthy Life: Molecular Interventions & Regulation
Mechanisms
Coordination: Rodrigo F. M. de Almeida
(FCT Principal Investigator)
↘Aligned with H2020
Societal Challenges
↘Aligned with Lisbon area regional priorities
22
Chemistry and Biochemistry for a
Clean Environment
Overview and goals
Chemistry and Biochemistry for a Clean Environment focuses on
the European societal challenges to develop methodologies that
ensure a clean and healthy environment. To achieve this, new
ways of identifying, assessing, preventing, controlling, or
efficiently removing contaminants, thereby reducing human
health risks, will be addressed. In parallel, we create selective and
environment friendly catalyst for industrial relevant processes.
CQB has the expertise to synthesize and characterize new
molecules and materials able to degrade contaminants, to adsorb
pharmaceutical remains, to obtain heterogeneous and
homogeneous catalysts to improve industrially relevant reactions.
23
Clean Environment
Overview and goals
These efforts combined with those purveying analytical methods
development and biochemists conducting research oriented to the
evaluation of their impact on human health will contribute to improve
the cleanliness of the environment.
The support of groups with expertise in computational studies,
determination of properties and characterization of molecules and
materials will significantly improve the knowledge needed to live in a
Clean Environment, one condition at the heart of the idea of Healthy
Ageing!
These potentialities will lead to the creation of environment-friendly
and decontamination technologies, new methods for decontamination
control and residual hazard assessment, and for evaluation of their
impact on human health.
24
Clean Environment
Key publications
2015 - 2016
Layered Double Hydroxide Nanocluster:
Aqueous, Concentrated, Stable, and
Catalytically-Active Colloids towards Green
Chemistry, Y. Tokudome, T. Morimoto, N.
Tarutani, P. D. Vaz, C. D. Nunes, V. Prevot, G.
Stenning, M. Takahashia, ACS Nano, 2016,
10, 5550–5559.
Magnetically Recyclable Mesoporous Iron
Oxide-Silica Materials for the Degradation
of Acetaminophen in Water under Mild
Conditions, J. Pires, S. Borges, A. Carvalho,
C. Pereira, A. M. Pereira, C. Fernandes, João
P. Araújo, C. Freire, Polyhedron, 2016, 106,
125-131.
Titanate nanotubes sensitized with silver
nanoparticles: Synthesis, characterization
and in-situ pollutants photodegradation; B.
Barrocas, C. D. Nunes, O. C. Monteiro; Appl.
Surf. Sci., 2016, 385, 18–27.
Biodiesel production waste as promising
biomass precursor of reusable activated
carbons for caffeine removal, Mary K.S.
Batista, Ana S. Mestre, Inês Matos, Isabel M.
Fonseca, Ana P. Carvalho, RSC Adv., 2016, 6,
45419-45427
Magnetically Recyclable Mesoporous Iron
Oxide-Silica Materials for the Degradation
of Acetaminophen in Water under Mild
Conditions; João Pires, Susana Borges, Ana
Carvalho, Clara Pereira, André M. Pereira,
Carlos Fernandes, João P. Araújo, Cristina
Freire; Polyhedron, 2016, 106, 125-131.
Titanate
nanorods
sensitized
with
nanocrystalline ZnS particles and their
photocatalytic activity on pollutants
removal; G. Naudin, T. Entradas, B.
Barrocas, O.C. Monteiro; J. Mat. Sci. Tech.,
2016
Removal of rhodamine 6G dye contaminant
by visible light driven immobilized Ca(1x)Ln(x)MnO(3) (Ln = Sm, Ho; 0.1 <= x <=
0.4) photocatalysts; B. Barrocas, S. Serio, A.
Rovisco, Y. Nunes, M.E.M. Jorge; Appl. Surf.
Sci., 2016, 360, 798-806.
Enhanced clofibric acid removal by
activated carbons: water hardness as a key
parameter., A.S. Mestre, A.Nabiço, P.L.
Figueiredo, M.L. Pinto, M.S.C.S. Santos, I.M.
Fonseca., Chem. Eng. J. 2016, 286, 538–554.
Bar adsorptive microextraction (BAμE)
coated with mixed sorbent phases –
Enhanced selectivity for the determination
of non-steroidal anti-inflammatory drugs in
real matrices in combination with capillary
electrophoresis, S.M. Ahmad, C. Almeida,
N.R. Neng, J.M.F. Nogueira., J. Chromatogr.
B, 2016, 1008, 11.
Electrochemical oxidation of paraquat in
neutral medium, M.A.M. Cartaxo, C.M.
Borges, M.I.S. Pereira, M.H. Mendonça,
Electrochim. Acta, 2015, 176, 1010–1018.
Helical Channel Mesoporous Materials with
Embedded Magnetic Iron Nanoparticles:
Chiral Recognition and Implications in
Asymmetric Olefin Epoxidation, C.I.
Fernandes, G. B. G. Stenning, J. D. Taylor, C.
D. Nunes, P.D. Vaz, Adv. Synth. Catal., 2015,
2015, 357, 3127-3140.
Highly selective and recyclable MoO3
nanoparticles in epoxidation catalysis, C. I.
Fernandes, P. D. Vaz, C. D. Nunes, Appl.
Catal. A: Gen., 2015, , 504, 344-350.
25
Clean Environment
New projects- FCT 2015
 Multifunctional Luminescent Spin Labile Hybrid Materials
PTDC/QEQ-QIN/3414/2014
 Overcoming environmental problems associated with antifouling agents:
synthesis of Nature inspired nontoxic biocides and immobilization in
polymeric coatings
PTDC/AAGTEC/0739/2014
New projects- Environment Policy & Governance projects,
EU 2015
 LIFE-Impetus: Improving current barriers for controlling pharmaceutical
compounds in urban wastewater treatment plants.
LIFE 14 ENV/PT/000739
Ongoing projects
 CO2 Mitigation and Production of Methanol by Reforming of CH4
FCT Project PTDC/AAG-TEC/3324/2012
 BIONANOMINE: Bio-synthesis of nanosized
semiconductors using mine wastes as material sources
and environmentally friendly applications
PTDC/AAG-TEC/2721/2012
 Antifouling compounds for the biofouling control in
aquaculture (ECOFOULESS) OF/6923/2014/DPA/DRAPALG
 MAROC – Morphology-Activity Relationship in Oxidation
Catalysis FCT Project EXPL/QEQ-QIN/1137/2013
26
Healthy Life: Molecular Interventions
& Regulation Mechanisms
Overview and goals
Promotion of a healthy life and an active ageing is a societal challenge in
Europe, aiming at a better quality of life and providing social and economic
benefits.
The synergies afforded by the multidisciplinary research team of CQB provide
optimal conditions to be at the forefront of this research area.
Several chemistry oriented labs are proficient in synthesizing or obtaining from
natural sources novel molecules with potential high-value bioactive properties.
On the other hand, biochemists are conducting research on the biological
mechanisms underpinning health and disease.
The preventive and therapeutic properties of new
molecules obtained by chemists can, therefore,
be investigated in the framework of the most
advanced and updated biochemical knowledge.
Marine Natural Products
27
Overview and goals
The combined efforts of several labs in this thematic line will be directed
towards the promotion of healthy habits in the general population and
catalyzing novel collaborations with the business world.
In summary, with this thematic line we aim at providing key scientific
contributions to a fast incorporation of chemical and biochemical knowledge
into the society, thus effectively contributing to a healthier and more active life!
Salvia sclareoides, medicinal plant for the
prevention of neurodegenerative impairments
28
Key publications 2015-2016
The role of fibrinogen in ATTR: evidence for
chaperone activity loss in disease D. Fonseca,
S. Gilberto, C. Ribeiro-Silva, R. Ribeiro, I.
Guinote, S. Saraiva, R. A. Gomes, É. Mateus, A.
S. Viana, E. Barroso, A. Ponces Freire, P. Freire,
C. Cordeiro, G. da Costa, Journal of Biological
Chemistry, IF 4.573, Q1, Top 10%
Non-coding RNAs as critical players in
regulatory accuracy, redox signaling and
immune cell functions.; A.Q. Gomes, C. Real,
F. Antunes, H.S. Marinho, S. Nolasco, H. and
Soares; In Current Developments in
Biotechnology and Bioengineering, Book 9:
Biotechnology in Human and Animal Health,
Hydrogen peroxide regulates cell adhesion Chapter 10, 2016; V. Thomaz-Soccol, R.o R.
through the redox sensor RPSA; F. Vilas-Boas, Resende, A. Pandey (Ed.), Elsevier (in press).
A. Bagulho, R. Tenente, V.H. Teixeira, G. New antitumor 6-chloropurine nucleosides
Martins, G. da Costa, A. Jerónimo, C. Cordeiro, inducing apoptosis and G2/M cell cycle
M. Machuqueiro, C. Real; Free Radic. Biol. Med, arrest; S. Schwarz, B. Siewert, , R. Csuk, A. P.
2016, 90:145-57. Top 10%
Rauter; Eur. J. Med. Chem.; 2015, 90: 595,
Synthesis of glucopyranos-6ʹ-yl purine and
pyrimidine isonucleosides as potential
cholinesterase
inhibitors.
Access
to
pyrimidine-linked
pseudodisaccharides
through Mitsunobu reaction; D. Batista, S.
Schwarz, A. Loesche, Re. Csuk, Paulo J. Costa,
M. Conceição Oliveira, Nuno M. Xavier; Pure
Appl. Chem, 2016, accepted.
The molecules of Life: the Carbohydrate
Chemistry Group on the contribution of sugars
to health and nutrition, A. P. Rauter, in: online
edition PAN EUROPEAN NETWORKS: Horizon
2020 projects, issue 10, April 2016
An integrated nutritional approach as a
sustainable tool to prevent malnutrition in
older people and promote active and healthy
ageing; M. Illario, A. S. Maione, M. R. Rusciano,
E. Goessens, A. Rauter, N. Braz, H. JagerWittenaar, C. Di Somma, M. Soprano, L. Vuolo,
P. Campiglia, M. A. Succi, H. Griffiths, T.
Hartman, A. Colao, R. Roller-Wirnsberger; The
EIP on AHA Nutrition Action Group, Advances
in Public Health, 2016, in press, Open access.
Transthyretin
Amyloidosis:
Chaperone
Concentration Changes and Increased
Proteolysis in the Pathway to Disease; G. da
Costa, C. Ribeiro-Silva, R. Ribeiro, S. Gilberto,
R.A. Gomes, A. Ferreira, É. Mateus, E.
Barroso, A.V. Coelho, A.P. Freire, C. Cordeiro;
PLoS One; 2015,6; 10(7):e0125392
The extracellular matrix modulates H2O2
degradation and redox signaling in
endothelial cells; A. Bagulho, F. Vilas-Boas,
A.Pena, C. Peneda, F. C. Santos, A. Jerónimo,
R.F.M. de Almeida, C. Real; Redox Biology;
2015, 6: 454, Top 10%
L-Histidine Based Organoclays for the
Storage and Release of Therapeutic Nitric
Oxide, A. C. Fernandes, M. L. Pinto,
F.Antunes, J. Pires, J. Mater. Chem. B Mater.
Biol. Med., 2015, 3, 3556-3563.
Molecular details of Isoniazide-C10 binding
to wt Mycobacterium tuberculosis KatG and
to its S315T mutant, V. H. Teixeira, C.
Ventura, R. Leitão, C. Ràfols, E. Bosch, F.
Martins, and M. Machuqueiro, Mol. Pharm.,
2015, 12, 898–909.
29
New projects- FCT 2015
 Sphingolipid organization in the plasma membrane of Saccharomyces
cerevisiae. Implication in antifungal mode of action and fungal resistance.
PTDC/BBB-BQB/6071/2014
 Biomimetic/nanobioconjugates flexible platforms for sensitive
immunosensing
PTDC/CTM-NAN/0994/2014
 CpHMD-L simulations of pHLIP peptides: design of new tumor-targeted drug
delivery systems
PTDC/QEQ-COM/5904/2014
 Anion transmembrane transport promoted by drug-like molecules: building a
library of anion carriers inspired in Ataluren (PTC124)
PTDC/QEQ-SUP/4283/2014
Ongoing projects - European Projects, Commitments and QREN
Personalised ICT Supported Service for Independent Living and Active Ageing,
FP7-ICT-2013-10, Project Nr. 610359, 2013 - 2016
 Diagnostic and Drug Discovery Initiative for Alzheimer’s Disease, FP7PEOPLE-2013-IAPP, Project Nr. 612347, Industry-Academia Partnerships and
Pathways (IAPP), 2014 – 2018
 Healthy ageing with innovative functional foods/leads for degenerative and
metabolic diseases (INOVAFUNAGEING), approved in the “Invitation for
Commitments to the Strategic Implementation Plan of the European Innovation
Partnership on Active and Healthy Ageing (EIP AHA) – Action A3”, 2012-2015
30
31
32
Adsorption and Adsorbent Materials
The main goal of the Adsorption and Adsorbent Materials
(AAM) group is to develop porous materials and explore
their potentialities as adsorbents, catalysts or catalysts
supports or as matrixes for drug delivery systems.
Different products are under study, e.g. carbon materials
which are usually obtained from sub products of
agricultural or industrial activities or by template
methodologies; natural-clay based solids and metalorganic frameworks. Polyurethane matrixes with different
compositions,
and
physical
properties
(e.g.
hydrophobicity), are also developed to be used as
supporting adsorbent materials.
Applications of these porous materials include the
separation of alkenes from alkane/alkene mixtures, the
purification (upgrade) of biogas and natural gas by
removing carbon dioxide and nitrogen. Special interest has
been given to the use of carbon materials as adsorbents
for the removal of emergent pollutants (e.g.
pharmaceutical compounds) from water.
Additionally, functionalization of porous materials with
transition metal complexes using different methodologies
for encapsulation is a an hot topic within AAM group. The
main goal is to obtain heterogeneous complexes which are
catalytic active in the homogeneous phase.
Regarding catalysis the group has also interests in the
modification of zeolites structures aiming the
improvement of their performance in refining and
petrochemical processes as well as catalysts supports
In the drug delivery systems frame, adsorption and release
of nitric oxide was evaluated, by storing this compound in
porous materials aiming a slow release which could be
very helpful for therapeutic applications.
http://adsorption.fc.ul.pt/
33
SAPO
Highlight
Hierarchical zeolites to higher performance catalysts
Hierarchical Zeolites
Mesoporosity
Intercrystalline
Intracrystalline
Modification of MCM-22 zeolite through sequential post-synthesis treatments.
Implications on the acidic and catalytic behaviour, V. Machado, J. Rocha, A.P. Carvalho,
A. Martins, Appl. Catal., A: Gen, 2012, 445, 329-338.
Zeolites are crystalline materials with a wide range of applications, especially as
heterogeneous catalysts. However, the microporous nature of these materials limits
its application in the presence of large molecules with industrial interest
The development of hierarchical zeolites (micro + mesopores) aims to increase
molecular diffusion and the access to the active sites, extending the range of
application for these materials in refining, petrochemistry and fine chemistry
reactions.
34
Highlight
From biomass to carbon materials to enhance water
treatment technologies
Processo de produção de carvão activado a partir de material de cortiça
S.P.Martins, A.S. Mestre, A.P. Carvalho and P.B. Correia, 2012., PT 106637 B, Portugal.
Chars from gasification of coal and pine activated with K2CO3: Acetaminophen and caffeine
adsorption from aqueous solutions, M.Galhetas, A.S.Mestre, M.L. Pinto, I. Gulyurtlu, H.
Lopes and A.P. Carvalho, J. Colloid Interface Sci., 2014, 433, 94-103.
Sustainable activated carbons prepared from a sucrose-derived hydrochar: remarkable
adsorbents for pharmaceutical compounds., A.S. Mestre, E. Tyszko,M.A. Andrade, M.
Galhetas, C. Freire and A.P. Carvalho, RSC Adv, 2015, 5 (25), 19696-19707.
Water contamination with pharmaceutical compounds is a reality worldwide and
scientists and governmental entities consider that this kind of contamination may
require legislative intervention. In fact, pharmaceutical compounds appear in a
Watch List in the 2013/39/EU directive and, for now, activated carbons which are
non-specific adsorbents, appear as the best available decontamination technology
for the removal of the pollutants that have a recalcitrant behaviour in conventional
water treatment plants.
The biomass-derived activated carbons developed in the Adsorption and Adsorbent
Materials group of CQB outperform commercial samples in the ability to remove
even the most recalcitrant pharmaceuticals from water.
35
Highlight
Materials for storage and slow release of therapeutic gases
L-Histidine Based Organoclays for the Storage and Release of Therapeutic Nitric Oxide, A.C.
Fernandes, M.L. Pinto, F. Antunes, J. Pires, J Mater Chem B Mater Biol Med, 2015, 3, 35563563
Cu2+ and Co2+ Microporous Titanosilicate ETS-4 for Storage and Slow Release of Therapeutic
Nitric Oxide, M.L. Pinto, A.C. Fernandes, J. Rocha, A. Ferreira, F. Antunes, J. Pires, J Mater
Chem B Mater Biol Med, 2014, 2, 224-230
Slow Release of NO by Microporous Titanosilicate, M.L.Pinto, J. Rocha, J.R.B. Gomes, J.
Pires, Journal of the American Chemical Society, 2011, 133, 6396–6402
Nitric oxide (NO) is a small endogenous molecule with particularly interesting effects
on biological systems, despite its toxicological potential. The delivery of nitric oxide in
controlled amounts to the human body is an attractive therapeutic alternative for a
large number of pathologies. NO is involved in neurological functions in synaptic
plasticity, neurotransmission, learning, and memory, in addition to having a primary
role in non-specific immunity and platelet aggregation inhibition.
NO is a gas at room temperature and pressure, unlike more common drug molecules
that are usually in a solid or liquid state. Because of the limited utility of genuine NO
gas in many experimental systems and the short half-life of NO in vivo, compounds
that have the capacity to release NO have been researched. More recently,
nanoporous materials were explored for their ability to act as NO delivery platforms,
particularly for topical applications in dermatology, wound healing, and organ
conservation.
36
Carbohydrate Chemistry
Based on a sustainable model, starting from sugars or
from natural resources towards new drug candidates or
functional food ingredients for pharmaceutical and/or
food industries, the Carbohydrate Chemistry Group aims
to provide economic and social benefits in terms
of prevention of functional decline and ageing, nutrition,
health and biosecurity.
Strategic areas:
• New approaches towards healthy ageing included in
the activities of the European Innovation Partnership
on Active and Healthy Ageing Action Plan 3 on
prevention of functional decline
• Sustainable Chemistry for Functional Molecules
• Therapeutics and mechanisms of action
Research is based on:
Generation of new molecular entities by:
• Design and synthesis
• Environmentally friendly methodologies
• Isolation from natural resources (plants, algae) and
structure elucidation
Polyphenols chemistry and society
• Functional foods
• Biomass residues valorization
• Cultural heritage
Challenges:
• New leads for degenerative (cancer) and amyloid
diseases (Alzheimer's disease, diabetes)
• Sugar-based bactericides towards biosecurity
• Functional foods for a healthy ageing
http://carbohydrate.cqb.fc.ul.pt/
37
Highlight
New synthetic approaches for bicyclic sugars
Potent and selective
BChE inhibitor
Stereoselective
reactions
Wittig olefination as key step
Olefin stereocontrol based on sugar protection
Reaction regiocontrol based on solvent selection
Structure optimization for bioactivity
Alzheimer’s Disease
Selective inhibitor of BChE
Key structural features
for the bioactivity
Rauter et. al. Org. Biomol. Chem. 2014,12,
2446
Rauter et. al. Eur. J. Org. Chem. 2014, 13,
2770
CANCER
Rauter et. al. Eur. J. Med. Chem. 2015, 90, 595
Colaborations:
Projects
Diagnostic and Drug Discovery Initiative
for Alzheimer's Disease
FP7-PEOPLE-2013-IAPP
Total synthesis and stereochemical
elucidation of Miharamycins A and B.
Carbohydrate-based
generation
of
analogues and bioactivity studies
POCI/PPCDT/QUI/59672/2004
Fellowships
“New synthetic strategies and structural
optimization of the sugar moiety from a
selective butyrylcholinesterase inhibitor”
SFRH/BD/90359/2013
38
Highlight
Potential nucleotide mimetics
Biological evaluation
Synthesis
In silico potential
to inhibit
cyclin-dependent
kinase-2 (CDK-2)
AChE:
Ki = 11.9 μM
A-B: Nucleoside analogs
B-C: Potential sugar phosphate mimetics
Carbonic anhydrase II:
Ki = 9.5 µM
Triazole-containing carbohydrate mimetics: synthesis and biological applications, N. M
Xavier, S. D. Lucas. In Targets in Heterocyclic Systems: Chemistry and
Properties, 2014, 18, 214-235, Italian Society of Chemistry, Rome, Italy.
Preparation of a tosylhydrazidyl N-glycosyl derivative of D-glucuronic acid via
tosylhydrazone formation and intramolecular ring closure, N. M. Xavier. In Comprehensive
Organic Chemistry Experiments for the Laboratory Classroom , 2015, Royal Society of
Chemistry, accepted for publication.
• New nucleotide‐like derivatives intended to inhibit disease‐associated enzymes
possessing catalytic sites binding either nucleotides or functional groups mimicking
partial structures contained in nucleotides.
• Efficient synthetic approaches for molecules based on new structural frameworks
for nucleoside/nucleotide mimicry.
• Biological targets focused: CDKs, cholinesterases and carbonic anhydrases
Collaborations: Palacký University & AS CR
(Czech Republic); Universität Halle-Wittenberg,
Faculdade Farmácia UL
39
Highlight
INFECTION | Tackling antimicrobial resistance and Biosecurity
Antimicrobial
resistance
is
an
increasingly serious threat to global
public health as new resistance
mechanisms emerge and spread globally.
Research
on
new
antibacterial agents with
new mechanisms of action.
Dodecyl glycoside displaying selective
antimicrobial activity
against Bacillus
anthracis and Bacillus cereus (25 µM)
Alkyl deoxy glycosides also significantly
inhibit Enterococcus faecalis
Library of 40 glycosides for SAR studies
Tuning alkyl glycoside bioactivity through structural features (D,L series), deoxygenation
pattern and anomeric configuration.
A.P. Rauter et al., Eur. J. of Org. Chem. 2013, 1448.
Surface activity is necessary but not sufficient for antimicrobial activity.
Compounds target cell membrane acting with a new mechanism of action
A multidisciplinary project involving organic synthesis, physical chemistry,
computational chemistry, biophysics and biology for the generation of a new family
of antibiotics with a new mechanism of action
Projects
New drugs from sugars against infection
caused by pathogenic Bacillus species
(FACIB), QREN
Diagnostic and Drug Discovery Initiative for
Alzheimer's Disease, FP7-PEOPLE-2013-IAPP
Patent
Sugar
derivatives
having
tensioactive and antimicrobial activity A.
P. Rauter et al. WO 2012095792 A1
(submission: 10-01-2012, pub. date: 1907-2012)
Funded by:
40
Highlight
Genista tenera for diabetes and Alzheimer´s disease prevention
Genista tenera - traditional medicine to control diabetes
8-β-D-glucosylgenistein, the main component:
 not toxic towards human lymphocytes
 Normalizes blood glucose levels of STZ-induced diabetic
Wistar rats (7 DAYS, 4MG/Kg b.w.
 Increases glucose-induced insulin secretion
 Inhibits human IAPP fibrillization
EtOAc
extract
OH
HO
OH
O
HO
H
HO
O
OH
O
OH
WO 20131324702
Bridging nature and technology
carbohydrates and polyphenols
Advanced lead molecules for diabetes
A new source of functional food ingredients
Projects and Grants:
• New antidiabetic agents from Genista tenera FCT, 2008-2012
• A. M. Matos, PhD grant SFRH/BD/93170/2013, FCT
• Diagnostic and Drug Discovery Initiative for Alzheimer’s Disease (IAPP),
FP7-PEOPLE-2013-IAPP, 2014-2018
• PERsonalised ICT supported Service for Independent Living and Active
Ageing, FP7-ICT-2013-10, 2013-2016
41
Highlight
Salvia sclareoides for neurodegenerative disease prevention
S. sclareoides extracts
potent inhibition of
acetylcholinesterase (AChE), the
enzyme that hydrolizes the
neurotransmitter acetylcholine
S. sclareoides is a nontoxic aromatic herb
used in folk medicine
to treat memory loss
AChE inhibition is a standard therapy to treat patients with
Alzheimer’s disease (AD) (e.g. donepezil, rivastigmine,
galantamine). A new binding site of AChE for the major
component rosmarinic acid (binding site B) was discovered
A. P. Rauter, et al, Chem. Eur. J. 2013, 19, 6641
Rosmarinic acid also interacts with Aβ1-42. Aromatic
protons are mostly involved in the binding
A. P. Rauter et al, Chem Asian J. 2013, 8, 596
S. sclareoides interacts also with AD toxic oligomers, removes
amyloid fibrils to form amorphous aggregates, and prevents normal
Prion protein to convert to Prion infectious isoform
Projects:
Diagnostic and Drug Discovery Initiative for Alzheimer's Disease, Industry-Academia
Partnerships and Pathways (IAPP), FP7-PEOPLE-2013-IAPP
Study of Salvia species crop production aiming at the evaluation of their constituents for
the potential control of Alzheimer's disease, funded by FCT
42
Highlight
Can macroalgae/microalgae provide bioactive
compounds with pharmaceutical potential?
Nutritional characterization of algae
- Rich fatty acid profile
Generation of new molecular entities
- Isolation of compounds
- Structure elucidation
Isololiolide, a carotenoid metabolite isolated from the brown alga Cystoseira tamariscifolia,
is cytotoxic and able to induce apoptosis in hepatocarcinoma cells through caspase-3
activation, decreased Bcl-2 levels, increased p53 expression and PARP cleavage
C. Vizetto-Duarte, L. Custódio, K. N. Gangadhar, J. H. G. Lago, C. Dias, A. M. Matos, N. Neng, J.
M.F. Nogueira, L. Barreira, F. Albericio, A. P. Rauter, J. Varela, Phytomedicine, 2016, 23(5),
550–557.
Fatty acid profile of different species of algae of the Cystoseira genus: a nutraceutical
analysis. C. Vizetto-Duarte, H. Pereira, C. Bruno de Sousa, A.P. Rauter,F. Alberício, L. Custódio
L. Barreira, J. Varela J, Natural Products Research, 2015, 2: 1-7.
Botryococcus braunii and Nannochloropsis oculata extracts inhibit cholinesterases and
protect human dopaminergic SH-SY5Y cells from H2O2-induced cytotoxicity
L. Custódio, F. H. Pereira, M. J. Rodrigues, L. Barreira, A. P. Rauter, F.Alberício, J. Varela,
J. Appl. Phycology, 2015, 27 (2), 839-848.
In collaboration with
Projects and Grants:
C. Vizzeto, PhD grant SFRH/BD/81425/2011, FCT
Marine photosynthetic organisms of the Algarve coast with biomedical applications, FCT
Halophytes: a precious resource of nutritional elements and bioactive compounds, FCT
43
49
Highlight
Challenges and solutions for the prevention of frailty
Multimodal service (screening, monitoring and training services) containing
nutrition, physical and cognitive modules, supported by an interoperable ICT
infrastructure offering intelligent decision support systems and gamification
The Portuguese team: the nutriageing.fc.ul.pt website
Nutrition literacy
Videos: Chef is discussing with experts!
Chef Hélio Loureiro
Vegetable gardens growing
ingredients, condiments…..
Collaborations:
INSA, Portugal
Auckland University, Australia
Budapest University of Technology
and Economics, Hungary
University Milano Bicocca, Italy
Networking within FCUL and
CQB groups
Livia Sarkadi - EuCheMS
Executive Board,
expert in Food Science
IUPAC 2013-054-2-300
44
Environmental and Biological Mass
Spectrometry
The main long-term objective of the Environmental and
Biological Mass Spectrometry group is to explore the
potentialities of advanced mass spectrometry and
spectroscopy in order to investigate at molecular level, the
structure, reactivity and energetics of compounds with,
mainly, environmental and biological interest.
Advanced mass spectrometry, ‘Hyphenated’, tandem MS,
high resolution (FTICR MS) and spectroscopic techniques,
applied
to
environmental,
biochemical/biological,
conservation and forensic sciences, enable the structural
characterization of compounds, even at trace level, and in
complex matrices (as for example degradation products of
emerging contaminants in the aquatic environment), of
particular importance to the elucidation of chemical and
biochemical reaction mechanisms and to the development
of decontamination processes encompassed in the
strategic area entitled Sustainable Chemistry for
Functional Molecules and Materials, defined for CQB.
These advanced analytical capabilities are also of major
importance and a key issue for characterization and
properties evaluation of bioactive molecules that can
potentially contribute for the development of novel
therapeutic agents and medicines and for evaluation of
the effectiveness and safety of these molecules.
Theoretical methodologies are also applied as a support
for rationalization of molecular ion structure, mechanisms
and gas-phase thermochemistry data.
https://www.fc.ul.pt/pt/unidade/grupo-de-espectrometriade-massa-ambiental-e-biológica
45
Highlight
Intensidade Relativa
(%)
Infusions can have beneficial health effects and may be useful
for lowering cholesterol in the bloodstream and digestive
process facilitation
100
79
91 92
100
149
215
165
179
184
50
0
80
120 m/z 160
200
240
Studies on the molecular mechanism of cholesterol reduction by Fraxinus angustifolia,
Peumus boldus, Cynara cardunculus and Pterospartum tridentatum infusions, P.L. Falé, C.
Ferreira, A.M. Rodrigues, F.N. Frazão, M.L. Serralheiro, J Med Plants Res, 2014, 8, 9.
Acetylcholinesterase inhibition, antioxidant activity and toxicity of Peumus boldus water
extracts on HeLa and Caco-2 cell lines, P.L. Fale, F. Amaral, P.J. Amorim Madeira, M. Sousa
Silva, M.H. Florencio F.N. Frazão, M.L.M. Serralheiro, Food Chem. Toxicol., 2012, 50, 2656.
Cardiovascular diseases are among the highest cause of death in EU including
Portugal. The high cholesterol level in the blood can be mentioned as being among
the main causes of these diseases. The first and most simple action to reduce
cholesterol level is to decrease its ingestion in the diet. When this action is not
enough, drugs start to be prescribed. Herbal teas, or infusions, used for a wide range
of purposes can also be used to diminish cholesterol in the blood. Although these
compounds cannot be sold with claims for health benefits, it is well known that they
are sold and consumed in order to improve people's health. Functional foods, among
which are herbal teas, of natural origin, have been the subject of our studies. In our
laboratory we have long been studying “teas” from plant origin, to determine their
composition by mass spectrometry techniques and also in what concerns their initial
and final biochemical activity after the gastro-intestinal digestion. The results of
these studies, besides highlighting the components of those mixtures, which is
important for their quality control, also show that the infusions can have beneficial
effects to health and can be used, for example, for lowering cholesterol in the
bloodstream and to facilitate the digestive process.
46
Enzymology
Enzymes are the core of life. It is our mission to unravel
enzyme function and structure, exploring the exquisite
complexity of life through a systems biology approach. Our
final goal is to shape the rules of life to our defined
purposes such as changing enzyme specificity, rewiring
pathways and creating novel functional macromolecular
structures.
Our research comprises the role of protein glycation, the
glyoxalase pathway and protein-protein interaction
networks in transthyretin amyloidosis as well as a systems
biology approach to human infectious diseases, namely
leishmaniasis and pneumococcal diseases. We are seeking
enzymes and pathways towards novel therapeutic
opportunities against these human pathogens.
Our tools are a combination of computational methods,
mostly implemented through in house designed software,
biochemical and molecular biology techniques, as well as
advanced analytic tools, including FTICR-MS, enabling
research in metabolomics and proteomics. We are
continuously improving these tools and expanding the
scope of its applications, most notably in the field of mass
spectrometry, with the development of native MS, topdown proteomics and 2DFTICR-MS.
We spawned and support a biotech start-up, BioMimetx,
dedicated to deliver innovative solutions for the control of
biological proliferation, most notably, biofouling in marine
environments.
Intens.
x107
U-20_000003.d: +MS
Intens.
x105
Intens.
x107
U-20_000003.d: +MS
810.0631
U-20_000003.d: +MS
779.5194
779.6106
810.4358
810.1865
1.50
810.3109
4
4
1.25
779.7017
779.4284
811.4405
810.8812
3
1.00
811.5645
779.7929
0.75
2
779.3374
779.8840
0.50
3
779.9754
1
0.25
779.2461
780.0666
780.1581
779.1550
780.2490
0
x105
0.00
x107
UB glycated_000002.d: +MS
779.6104
810.6188
810.7101
779.7019
810.8012
779.5207
779.3362
3
6
810.5277
779.4274
2
810.8924
2
4
810.4364
810.9836
811.0745
1
2
810.3454
811.1662
1
811.2574
810.2539
811.3485
810.1642
811.4391811.5174
0
0
779.2
779.4
779.6
779.8
780.0
780.2
m/z
810.0
810.2
810.4
810.6
810.8
811.0
811.2
811.4
811.6
m/z
783.9355
0
x107
810.7101
805.7997
804.1625
3
817.2572
800.7134
797.6150
818.8949
808.9813
2
1
825.4421
792.6140
780.6461
784.7394
789.5214
831.6327
0
780
http://enzymology.fc.ul.pt/
47
785
790
795
800
805
810
815
820
825
830
m/z
48
Our group combines complementary experimental and
computational approaches to chemistry and biochemistry.
We develop new organometallic complexes and materials
(porous solids, nanoparticles and ionic liquids) to obtain
new homogeneous and heterogeneous catalysts, aiming at
improving (enantio)selectivity in industrially relevant
reactions. We also immobilize bioactive compounds to get
new non-leaching bioactive polymeric materials to protect
surfaces against biofouling. Functional nanomaterials and
devices of magnetic molecules based on spin crossover to
provide polymeric, amphiphilic or nanocrystalline
environments are being synthesized, as well as materials
for electrochemical CO2 reduction. Bioactive natural
products are isolated in the quest for new drug leads from
Portuguese marine organisms. New psychoactive
substances marketed as recreational drugs in Portugal are
identified by NMR.
We use Quantum Chemistry to study mechanisms of
organometallic reactions, to calculate the properties of
molecules and materials in order to improve
functionalized materials, and to understand in detail the
interactions between bioactive metal complexes and
polyoxometalate derivatives with biomolecules an
materials. With the help of molecular modeling and
simulation, we are interested in the study of the dynamic
properties of membranes and proteins, their pHdependence and relation with disease. Additionally, the
modeling of non-conventional bonds (such as halogen
bonds) in (bio)chemical systems aiming at drug design is
also pursued.
Molecules
Materials
Proteins
Membranes
http://intheochem.fc.ul.pt/
49
Experimental Approaches
Computational Studies
Inorganic
molecules and
materials for
energy and
magnetism
Antifouling
molecules and
materials for
biofouling
prevention
Hybrid
Materials for
selective
catalytic
processes
Ionic liquids
in biphasic
catalysis with
molybdenum
complexes
Carla Nunes
Elisabete Silva
Helena Gaspar
Marta Saraiva
Paulo Martinho
Identify new
abuse drugs
by NMR to
prevent
health risks
The role of
hydrophobic
interactions in
a molecular
disease
Adrià Gil
Miguel Machuqueiro
Nuno Galamba
Paulo Costa
Mechanisms
/properties of
transition
metal
derivatives
50
pH effects on
membranes
and proteins
Halogen
bonding in
(bio)chemical
systems
In silico
nanobio
solutions for
medicine and
materials
Highlight
Metallopolymers: Engineering molecules for smart materials
Heterodinuclear Ni(II) and Cu(II) Schiff base complexes and their activity in oxygen
reduction, Sara Realista, Priscila Ramgi, Bernardo de P. Cardoso, Ana I. Melato, Ana S.
Viana, Maria José Calhorda and Paulo N. Martinho, Dalton Trans., 2016, in press.
The 2000 Nobel Prize was awarded jointly to Alan J. Heeger, Alan G. MacDiarmid
and Hideki Shirakawa for the discovery that plastic is able to conduct electricity
after being conveniently modified. Since then, researchers and their groups have
developed efforts to find new polymeric materials with conducting properties. Our
work aimed at the preparation of polymers incorporating metal ions in their
polymeric backbone. This modification additionally confers both chemical and
morphological properties opening possibilities to fine-tune materials for target
applications. These materials showed good activity for oxygen reduction in aqueous
medium.
51
Highlight
Non-Releasing biocidal coatings: A new strategy for
biofouling prevention
The problem:
BIOFOULING ON A SHIP HULL
Functionalisation process for the biocides
immobilisation in polymeric matrixes, E.
R. Silva, O. Ferreira, J. C.M. Bordado, Patent
PT Nº 10809, 2015.
New Strategy to prevent adhesion of
Biofouling to Coatings, E. R. Silva, O.
Ferreira, J. C.M. Bordado, Short
Communication, J. Adhesion Society of
Japan, 2015, 51, 239-240.
BIOCORROSION
ON A SHIP HULL
The potential solution
6 months of exposure in Atlantic seawater (Peniche, Portugal)
With immobilised biocides
Without biocides
5 cm
Biofouling, a spontaneous colonization of surfaces in contact with water by aquatic
organisms, is a global problem in water management systems of several industrial
activities, and is responsible for serious environmental and economic consequences.
For instance, its accumulation on hulls of ships can lead to drag friction increases up
to 40 % and subsequent power penalties of up to 86% at cruising speed; when
occurring in cooling circuits of power plants, it can lead to efficiency losses of about
5%. The main strategy to combat this biofouling relies on chemical control. However,
this strategy has revealed to be harmful for the aquatic ecosystems, mainly owing to
the ecotoxicity and cumulative effect of the applied bioactive agents. Therefore, rigid
international regulations have been issued (BPD EU Regulation, 2012), and more are
expected to come in a near future. New strategies, which can combine more
efficiency against biofouling and non-toxic properties for the aquatic systems, are
sought.
Our Group developed a new antifouling environmental friendly strategy based on the
covalent bonding of biocides in polymeric coatings (e.g. silicone based). This nonreleasing biocide strategy evidenced an effective biocide immobilisation, with
promising coatings’ antifouling performance, up to 6 months to date, on seawater
submerged coated surfaces with biocidal silicone based coatings.
52
Highlight
Researchers at FCUL work with the Portuguese Police in the
fight against the trade of NPS
Compounds identified in seized products in Portugal.
4F-PBP (4’-fluoro--pyrrolidinobutyrophenone), a new substance of
abuse: structural characterization and purity NMR profiling
H. Gaspar, S. Bronze, S. Ciríaco, C. Leal, A. Matias, J. Rodrigues, C. Oliveira,
C. Cordeiro, S. Santos, Forensic Sci. Int., 2015, 252, 168-176.
In the last decade, more than 450 new psychoactive substances (NPS) appeared in
the market of drugs of abuse. The fast dissemination of these new drugs in the
internet created an emerging need for developing new analytical methodologies for
their rapid identification. Since May 2014, a team of researchers of FCUL, led by
Helena Gaspar, researcher at the Centro de Química e Bioquímica, works in
collaboration with the Laboratório de Polícia Científica da Polícia Judiciária in the
identification and quantification of NPS in products seized by the Portuguese police.
Recently, this team has identified, for the first time in Europe, a new synthetic
cathinone, 4F-PBP. The results have already been published in the journal Forensic
Science International 2015. This outcome highlights the importance of the academia
in supporting the resolution of current problems in our society, as the control of of
NPS’s trade.
The work developed by the group of FCUL consists in the isolation and structural
characterization of NPS, by means of NMR spectroscopy and Mass Spectrometry,
from products supplied by the LPC, or in their synthesis, allowing not only their
toxicological evaluation, but also the supply of NPS standards to forensic laboratories,
to be used in routine analyses.
53
Highlight
Biodegradable polymers using monomers from plants
Dinuclear Zinc–N-Heterocyclic Carbene Complexes for Either the Controlled Ring-Opening
Polymerization of Lactide or the Controlled Degradation of Polylactide Under Mild
Conditions, C. Fliedel, D. Vila-Viçosa, M. J. Calhorda, S. Dagorne and T. Avilés, ChemCatChem,
2014, 6, 1357.
Polylactide (PLA), a biodegradable thermoplastic polyester derived from lactic acid, is
a renewable resource, currently attracting attention for applications ranging from
biomedical to food packaging and device applications. It is considered a promising
alternative to petrochemical-based plastics and the fast growth of its production
capacity (150,000 tons/year currently) suggests it will be a high volume commodity
material in the near future. In collaboration with an experimental team, we used a
computational approach to calculate the energy of all the intermediates and
transition states of the full mechanism of the ring opening polymerization (ROP) of
lactide catalyzed by a binuclear Zn(II) complex in mild conditions. We identified the
determining steps and the cooperative role of the two zinc centers. Indeed, detailed
knowledge of the reaction will allow the optimization of the process, namely
improving the catalyst (cheaper, more active), and the reaction (environmentally
friendlier).
54
Highlight
Intercalation in DNA: Small changes in the structure that
become powerful for diseases
How
the
Intercalation
of
Phenanthroline Affects the Structure,
Energetics, and Bond Properties of
DNA Base Pairs: Theoretical Study
Applied to Adenine-Thymine and
Guanine-Cytosine Tetramers, A. Gil, M.
Melle-Franco, V. Branchadell, M.J.
Calhorda, J. Chem. Theory Comput.,
2015, 11, 2714.
Since the incorporation of cisplatin in chemotherapy, the interest in the application of
metal systems in medicine has grown rapidly. One step beyond was the incorporation
of phenanthroline (phen) ligand in metal complexes, these systems showing
significant antitumoral activity. Within the interactions of coordination complexes
with DNA, intercalation is an important binding mode and the intercalative capacity
of molecules is influenced by the planarity of ligand, type of donor atom, and metal
coordination geometry. Thus the aim of this work was the comprehension and
rationalization of the interaction of phen with DNA strands by means of
computational techniques. The results showed that intercalation produces important
changes of geometric parameters of the base pairs. For the systems containing
guanine and cytosine, hydrogen bond interactions are more important than stacking
interactions, whereas for the systems with adenine and thymine these stacking
interactions become competitive. Moreover, the contribution of dispersion forces is
the most important contribution to explain the interaction. Nevertheless, this
contribution is necessary but not sufficient to stabilize the Pauli repulsion
contribution originating between electrons of different fragments having the same
spin. Thus, charge transfer contribution (small) and the electrostatic contribution
(more important) play an important role to stabilize the intercalator and compensate
Pauli repulsion. In fact, the values of the electrostatic contribution are roughly similar
to the values of the interaction energy.
55
Highlight
Adding realism to computer simulations of cell membranes
Treatment of ionic strength in biomolecular simulations of charged lipid bilayers
D. Vila-Viçosa, V. H. Teixeira, H. A. F. Santos, A. M. Baptista, M. Machuqueiro,
J. Chem. Theory Comput., 2014, 10, 5483.
Biological membranes are complex systems that have recently attracted significant
scientific interest. Experimental techniques are very limited in measuring the physicochemical processes near membranes. On the other hand, computational methods are
very useful since they allow us to study the molecular details of several lipid bilayer
disorders, associated with diseases like the Barth syndrome. The presence of many
charged lipids, render these membranes sensitive to pH. The protonation states of
lipids and the ion distribution close to the bilayer are two of the main challenges in
biomolecular simulations of these systems. In this work, we proposed a new method
based on the Poisson–Boltzmann equation to estimate the ion concentration near a
lipid bilayer that avoids the need for neutrality at the microscopic level. This new
methodology allows for an increased realism in our molecular simulations and can
have an important contribution in future studies.
56
Highlight
New generation of green catalyst from known materials
Layered Double Hydroxide Nanocluster: Aqueous, Concentrated, Stable, and CatalyticallyActive Colloids towards Green Chemistry
Y. Tokudome, T. Morimoto, N. Tarutani, P. D. Vaz, C. D. Nunes, V. Prevot, G. Stenning,
M. Takahashia
ACS Nano, 2016, 10, 5550–5559.
Increasing attention has been dedicated to the development of nanomaterials
rendering green and sustainable processes, which avail in benign aqueous
reaction media. Nanocatalysts exhibit a significant contact with reactants and
allow separation from products, simultaneously achieving the advantages of
heterogeneous and homogenous catalysts. Layered double hydroxide (LDH),
which is a family of lamellar metal hydroxides accommodating anions in their
interlayers, is a promising candidate as a green catalyst. We demonstrate the
synthesis of a family of green nanomaterials, layered double hydroxide (LDH)
nanoclusters, which are concentrated (98.7 g/L in aqueous solvent), stably
dispersed (transparent sol for >2 weeks), and catalytically-active colloids of
nano LDHs. LDH nanocluster is available as colloidal building blocks to give
access to meso/macroporous LDH materials. Thus obtained LDH NC catalyze
Knoevenagel condensation and olefin epoxidation. The catalytic activity is
comparative or higher compared to the cases of using standard LDHs, and
revealed that the LDH nanocluster works as a solid basic catalyst and is
separable from solvents of catalytic reactions, confirming the nature of
nanocatalysts.
57
58
Interfacial Electrochemistry
Fullerene adsorption on Au
Interfacial Electrochemistry Group research is focused on
interfacial phenomena involving high performance
modified electrodes and semiconductor nanomaterials, to
develop new platforms for (photo)electrocatalytic, energy
production, (bio)sensing and protective purposes. This is
achieved by a careful and precise combination of materials
(conducting polymers, self-assembled monolayers and
nanostructures)
and
preparation
methods
(electrochemical,
chemical
coupling/adsorption,
modification/sensitization).
In catalysis and sensing is extremely advantageous and
challenging to have active centres stably immobilized
preserving their identity and function. Association of
electrochemical and surface sensitive characterization
techniques greatly contributes to elucidate about
structure, properties and reactivity relationships. Benefits
arise from the use of functionalized electrodes, since
reactive entities properties can be tailored and modulated
by electric potential application.
1.001 nm
DPPC:
Cholesterol : 1-decanethiol
Electropolymerisation of
EDOT/FcPF6
Additionally, the materials evaluation in energy production
and environmental remediation processes, are studied in
the IEG group. Another research line, is the evaluation of
the effect of bioactive chemicals and proteins on
biomimetic supported lipid bilayers, mainly by high
resolution imaging.
1201
1177
1153
1129
1105
1081
1057
1033
1009
985
961
937
913
889
865
841
817
793
769
745
721
697
673
649
625
601
577
553
529
505
481
457
433
409
385
361
337
313
289
265
241
217
193
169
145
121
97
73
49
25
1
Titanate nanotubes
photosensitization
0
10
TNTs surface
absorvance (a.u.)
+ organic dyes
http://electro.fc.ul.pt/
Series1
TNTs/MB
30
40
TNT-dye
TNT
50
TNTs
250
350
450
550
wavelength (nm)
59
20
650
750
850
60
Highlight
Organometallic/polymer matrices for highly sensitive dual
electrochemical and optical assessment of
Biochemical Oxygen Demand (BOD)
Dual sensor optical and electrochemical
response, towards O2
Improved potentiometric and optic sensitivity of polyaniline film to dissolved oxygen by
incorporating iron-porphyrin, M. Li, I. M. Ornelas, W. Liu, Y. Niu, J.P.Correia, A. S. Viana, and
G. Jin, Electroanal, 2015, 27, 1 – 10.
Electronically conducting polymers (or conducting plastics) are well known
electrochromic materials. They undergo reversible colour modifications according
with the electrical potential they are submitted. On the other hand, some
metalloporphyrins like the iron-porphyrin - that we can find in hemoglobin – are very
sensitive to the presence of oxygen, which induces redox transformations in the
molecule. Incorporating the iron porphyrin into a polyaniline (conducting polymer)
matrix, resulted in a high sensitive oxygen sensor. In a cooperative work of the Centre
of Chemistry and Biochemistry from Ciências and the Chinese Academy of Sciences, a
novel oxygen sensor for Biochemical Oxygen Demand assessment with dual
transduction was developed. The interaction of the dissolved gas with the porphyrin
provokes a spontaneous adjustment of the intrinsic electric potential of the polymer
causing the modification of the optical properties of the material. In this way, both
the electric signal and the optical response of the polymer reflect to the presence
and amount of dissolved oxygen. The optical monitoring of the electrode is
performed by TIRIE (Total Internal Reflection Imaging Ellipsometry) which is a
technique highly sensitive to changes of the dielectric properties of the samples. The
combined electrochemical and optical signals strongly corroborate each other,
allowing the normalization of the readings in repetitive measurements using the
same modified electrode.
60
Highlight
Titanate nanofibers co-sensitized with ZnS and Bi2S3
nanocrystallites for pollutants removal
Synthesis of titanate nanofibers co-sensitized with ZnS and Bi2S3 nanocrystallites and their
application on pollutants removal, T.J. Entradas, J.F. Cabrita, B. Barrocas, M.R. Nunes, A.J.
Silvestre, O.C. Monteiro, Mater. Res. Bull. 2015, 72, 20-28.
The use of nanocrystalline semiconductors as photocatalysts, on the treatment of
industrial wastewaters, has generated great interest, due to their unique
physicochemical properties.
In particular this project aims TNTs manipulation by surface sensitization processes,
through the synthesis of nanocomposite materials combining titanate nanofibers
(TNF) with nanocrystalline ZnS and Bi2S3, in order to obtain nanocomposite materials
with new and improved photocatalytic performances. The TNF were produced via
hydrothermal synthesis and sensitized with the semiconductor nanoparticles,
through a single-source precursor decomposition method. ZnS and Bi2S3
nanoparticles were successfully grown onto the TNF’s surface and Bi2S3–ZnS/TNF
nanocomposite materials with different layouts. The samples’ photocatalytic
performance was first evaluated through the production of the hydroxyl radical using
terephthalic acid as model molecule. All the tested samples show photocatalytic
ability for the production of this oxidizing specie, very important in the
photodegradation of organic pollutants. Afterwards, the samples were investigated
for the removal of methylene blue. Methylene blue is an industrial dye, used often as
model pollutant in photocatalytic degradation studies. From the nanomaterials
materials studied, the nanocomposites with best adsorption ability were the ZnS/TNF
and Bi2S3ZnS/TNF. The most promising results, for the complete pollutant removal,
were obtained considering a sequential combination of an adsorption-photocatalytic
degradation process using the Bi2S3ZnS/TNF powder as a highly adsorbent and
photocatalyst material.
61
Highlight
A platform to study membrane nanodomains and redox
processes of bioactive molecules in different lipid
environments
A Biomimetic Platform to Study the Interactions of Bioelectroactive Molecules with Lipid
Nanodomains, J. T. Marquês, A.S. Viana, and R. F. M. de Almeida, Langmuir 2014, 30,
12627−12637.
Supported lipid bilayers (SLB) are a very useful model system of biological lipid
membranes to study membrane-related phenomena, since it allows the use of a
great variety of very sensitive surface techniques. In particular, if SLB are prepared on
metallic surfaces, electrochemical and optical methods can be employed expanding
their applications, namely on biosensing.
There has been a great effort in the development of SLB on gold surfaces, though
most of the studies only concern single-component or single-phase lipid systems,
then failing to mimic the mammalian plasma membrane. This work results from a
close collaboration with the Molecular Biophysics group and is focused on the design
of planar, continuous and stable multicomponent lipid platforms on gold with distinct
phase behavior. Such lipid interfaces enable to detect, with high sensitivity, redox
processes of molecules interacting with membranes, such as ubiquinones, flavonoids,
and cathecolamine hormones or proteins.
Currently, we are developing lipid-based biointerfaces for immunosensing, which
combine a number of important characteristics in a biosensor, namely: biomimetic
environment, ability to block nonspecific interaction with serum proteins, a robust
arrangement regarding a continuous flow of buffer solutions (even in the presence of
surfactant), and high sensitivity.
62
Molecular Biophysics
The main goal of our group is to advance the state-of-the
art of membrane lipid domains, providing means for
improved assessment of their involvement in drug
mechanisms of action, pointing directions to develop new
drugs/drug-formulations.
Biological membranes are organized into (micro)domains
consisting of regions with different lipid and protein
composition, properties and functions. Furthermore,
several
pathologies,
including
cancer
and
neurodegenerative conditions, are characterized by
specific alterations in lipid composition and hence
membrane biophysical properties. Moreover, the
molecular mechanism of action of many drugs involves at
some point their effect on membrane lipid organization
(the
membrane-lipid
therapy
principle).
Thus,
fundamental research on membrane domains in both
physiological and pathological situations will take place in
parallel with the study of compounds that can potentially
promote health and prevent functional decline.
Several molecular biophysical approaches are used to
tackle the complex interactions between these agents and
biomembranes, proteins and DNA, with potential benefits
for society. We use design-and-synthesis approaches to
develop new compounds, bio-inspired and from natural
origin, namely, essential oils from aromatic and medicinal
plants, seeking the valorization of Portugal and CPLP
countries natural resources.
In addition, we address the following important topics:
• Development of synthetic receptors for chiral resolution
of drugs and for the transmembrane transport of anions.
• Research of natural pesticide for control of insect vectors
of human pathogens (e.g. malaria and dengue).
http://bmn.cqb.fc.ul.pt/
63
Highlight
Ecofriendly Biolarvicide for mosquito control
Ae. aegypti larvae
morphological
alteration
Larvicidal Activity Against Aedes aegypti of Foeniculum vulgare Essential Oils from
Portugal and Cape Verde, D.K.Rocha, O.Matos , M.T.Novo, A.C.Figueiredo, M.Delgado,
C.Moiteiro; Nat. Prod. Commun., 2015, 10(4), 677-682.
Dengue has recurrent epidemics in Latin America and occurred recently in Cape
Verde and Madeira Island. The lack of anti-viral treatment or vaccine makes the
control of mosquito vectors a high option to prevent virus transmission. The use of
plants for insect control has increased worldwide, with particular emphasis on search
of essential oils (EOs) obtained by hydrodistillation.
The present study evaluated the potential use of Foeniculum vulgare (fennel) EO in
the control of the dengue vector Aedes aegypti.
EOs isolated from fennel aerial parts collected in Cape Verde and from a commercial
fennel EO of Portugal were analyzed by NMR, GC and GC-MS. trans-Anethole (32 and
30%, respectively), limonene (28 and 18%, respectively) and fenchone (10% in both
cases) were the main compounds identified in the EOs isolated from fennel from
Cape Verde and Portugal, respectively.
The larvicidal activity of the EOs and its major constituents were evaluated, using
WHO procedures, against third instar larvae of Ae. aegypti for 24 h. Pure compounds,
such as limonene isomers, were also assayed. The lethal concentrations LC50, LC90 and
LC99 were determined by probit analysis using mortality rates of bioassays. A 99%
mortality of Ae. aegypti larvae was estimated at 37.1 and 52.4 μL L-l of fennel EOs
from Cape Verde and Portugal, respectively. Bioassays showed that fennel EOs from
both countries displayed strong larvicidal effect against Ae. aegypti, the Cape Verde
EO being as active as one of its major constituents, (-)-limonene.
These results suggest the potential application of fennel EO as a possible natural
larvicidal for the control of the major dengue mosquito vector.
64
Highlight
A New Lipid Order: Advancing Our Knowledge on
Biomembranes and Using It to Improve Human Health
Biological membranes are generally believed to exist in a fluid regime, where a liquid
disordered (ld) phase with low lipid packing and fast lateral diffusion of molecules
coexists with a liquid ordered (lo) one displaying higher lipid packing and slightly
slower lateral diffusion.
In recent years, however, our studies have challenged the dogma that another lipid
phase, the gel or solid ordered phase, is not physiologically relevant, due to the very
slow lateral diffusion of its components. We have proved that gel domains are
present in the plasma membrane of growing yeast cells through the use of
fluorescent probes that exhibit different fluorescence parameters in each lipid phase
[1]. This finding is now supported by independent studies in other laboratories.
More recently, in an attempt to understand the formation and properties of gel
domains in biomembranes, we undertook a series of experiments using a common
glycerophosphospholipid, the phosphatidylcholine (POPC) and phytoceramide, the
backbone of the complex sphingolipids found in plants and fungi, also present in
several human tissues such as skin [2]. Our findings using fluorescent probes and
liposome suspensions pointed to the formation of POPC : phytoceramide
stoichiometric complexes (with stoichiometries 3:1 and 1:2) that display unique
biophysical properties [2]. Experiments using atomic force microscopy in supported
lipid bilayers, confocal fluorescence microscopy in giant liposomes and X-ray
scattering in multibilayers corroborated the supramolecular organization of the lipids
into complexes. Interestingly, the fluorescent parameters (anisotropy and lifetimes),
exhibited by fluorescent probes in liposome suspensions [2] were identical to the
ones obtained for living yeast cells [1], which show that the gel domains identified in
vivo may share important properties with the stoichiometric complexes formed in the
POPC/phytoceramide mixtures.
65
Recently, our group has contributed with a hypothesis/theory paper, proposing a
model “whereby seeds comprised of oligomerised proteins and/or lipids would serve
as crystal nucleation centers for the formation of diverse gel/crystalline
nanodomains”, the nanodocks model [3]. Moreover, we presented a book chapter,
where the literature reports pointing for the formation of highly ordered lipid
domains in vivo was critically reviewed [4]. The relevance that ordered domains may
play in the organization and function of biomembranes, and their implication in drug
modes of action, and antidrug mechanisms of resistance, both in infectious agents
and in cancer cells, were discussed.
[1] Gel domains in the plasma membrane of Saccharomyces cerevisiae: highly ordered, ergosterolfree, and sphingolipid-enriched lipid rafts, F. Aresta-Branco, A.M. Cordeiro, H.S. Marinho, L. Cyrne, F.
Antunes, R.F. de Almeida,, J.Biol.Chem., 286 (2011) 5043-5054.
[2] Formation and Properties of Membrane-Ordered Domains by Phytoceramide: Role of Sphingoid
Base Hydroxylation, J.T. Marquês, A.M. Cordeiro, A.S. Viana, A. Herrmann, H.S. Marinho, R.F.M. de
Almeida, Langmuir, 31 (2015) 9410-9421.
[3] Crystallization around solid-like nanosized docks can explain the specificity, diversity, and
stability of membrane microdomain, R.F.M. de Almeida, E. Joly, s, Frontiers in Plant Science, 5
(2014) 14.
[4] Biomembrane Organization and Function: The Decisive Role of Ordered Lipid Domains, J.T.
Marquês, C.A.C. Antunes, F.C. Santos, R.F.M. de Almeida. (2015) in A. Iglic, C. Kulkarni, M. Rappolt,
eds.: Advances in Planar Lipid Bilayers and Liposomes, Vol 22, ADPLAN, UK: Academic Press, pp 65-96
66
Molecular Energetics
Understanding the relationships between thermochemical
information and the structure and dynamics of molecules
and complex molecular systems (e.g. crystals, living cells)
is the main long-term objective of the Molecular
Energetics group.
The thermodynamic stability of molecules, as measured by
standard enthalpies of formation and “bond strengths”,
can, for example, be rationalized by investigating the
relationships between those properties and bond lengths
and angles, steric and electronic parameters, activation
energies, etc.
The energetics of intermolecular interactions regulates
phenomena such as the dissolution of a solute in a solvent
and the structural organization of molecules in crystals. By
probing these interactions it is possible, for example, to
understand many aspects of polymorphism occurrence
and to elucidate the role of solvents in chemical reactivity.
Monitoring the production of heat by living organisms can
also provide important clues about their adaptation to
environmental changes.
The research carried out at the Molecular Energetics
group relies on a variety of experimental techniques, such
as X-ray diffraction, microscopy, reaction and combustion
calorimetry,
Calvet-drop
microcalorimetry,
flowcalorimetry, time-resolved photoacoustic calorimetry,
differential scanning calorimetry, thermogravimetry,
crystallization reactors, and Fourier transform ion
cyclotron resonance mass spectrometry (FT-ICR-MS),
along with quantum chemical methods and molecular
dynamics simulations. The group has a long tradition in
instrument building and database development.
http://molenergetics.fc.ul.pt/
67
Highlight
Size Matters: The Stability of NaCl, the Most Abundant Salt
on Earth, Considerably Changes on Entering the Nano World
Size Matters: An Experimental and Computational Study of the Influence of Particle Size on
the Lattice Energy of NaCl, S. Range, C. E. S. Bernardes, R. G. Simões, M. Epple, M. E. Minas
da Piedade, J. Phys. Chem. C, 2015, 119, 4387-4396.
One of the most interesting features of nanomaterials is the change in
properties that normally accompanies a decrease in particle size. Using
calorimetric experiments and atom-atom pair potential calculations, we were
able to show, for the first time, that the stability of sodium chloride, the most
abundant salt on earth, considerably decreases (>30%) with the decrease of
the crystal size up to the single molecule dimension. The decrease is
particularly steep for crystal sizes below 100 nm. The results further
suggested that the cohesive energy within each crystal layer varies from site to
site, with the energy differences between adjacent sites decreasing on moving
from the periphery to the centre of the crystal. As expected, the atoms at the
outmost surface layer exhibit the lowest cohesive energies.
68
Highlight
The Thermochemistry of Cubane 50 Years after Its Synthesis
The Thermochemistry of Cubane 50 Years after Its
Synthesis: A High- Level Theoretical Study of Cubane
and Its Derivatives, F. Agapito, R.C. Santos, R.M.
Borges dos Santos, J.A. Martinho Simões, J Phys Chem
A, 2015, 119, 2998-3007.
Cubane is a unique molecule for its extraordinary C8 cage, where all the sp3
hybridized carbon atoms have C–C–C bonds angles of 90°. It is therefore one of the
most strained compounds known and, until its synthesis in 1964, there was doubt
that such a molecule could even hold together. But cubane turned out to be a
surprisingly stable molecule, since no kinetically viable paths exist for its thermal
decomposition. The synthesis of cubane was driven by the curiosity and fascination
of organic chemists in obtaining the molecular equivalent of a platonic solid.
Nevertheless, its derivatives have many important potential applications, such as in
high-energy fuels, explosives and propellants (e.g., octanitrocubane), and as an
intermediates in pharmaceutical preparations. Because the cubane frame is rigid,
substituents will have precise spatial relationships to each another. This offers
fascinating substituent positioning possibilities for the synthesis of novel
pharmaceuticals. To assess viable synthetic pathways, knowledge on the energetics
of the cubane molecule and its reactive intermediates is needed. In general, this
kinetic modeling requires “chemical accuracy” of about ±4 kJ mol-1. We used highaccuracy state of the art computational methods to determine the enthalpies of
formation of cubane and related compounds.
69
70
Redox Biology Group
The Redox Biology group research focuses on hydrogen
peroxide (H2O2), the main cellular oxidant now considered
a key redox regulator. The long-term goal is to understand
signalling pathways and molecular mechanisms by which
H2O2 regulates physiological processes that, when
unbalanced, lead to disease.
H2O2, is continuously produced intracelullarly, as a byproduct of aerobic metabolism, and extracelullarly as a
result of phagocyte activation. Our group uses an
interdisciplinary approach, as the team is composed of
people with a strong background in molecular biology, free
radical biochemistry, cell biology and mathematical
modeling, with a combination of both experimental and
mathematical modelling approaches to study cellular
redox regulation by hydrogen peroxide and its
involvement in physiological cellular processes and in
disease.
The group expects to establish quantitative and
cause/effect relationships between H2O2 levels and
regulation of gene expression, organelle dynamics and
disease. These studies will allow to identify molecular
targets of H2O2 with possible therapeutic use in diseases,
such as cancer and inflammation, and in aging.
In addition, we aim at assessing the biological effects of
emerging contaminants at sub-lethal concentrations. Our
efforts will be focused on the biological adaptation
induced by contaminants. For that we will use our knowhow on H2O2 adaptation acquired over the last decade.
http://redox.fc.ul.pt/
71
Highlight
From oxidative stress to redox biology: understanding the
cellular mechanisms of redox regulation by hydrogen peroxide
Hydrogen peroxide sensing, signaling and regulation of transcription factors
H.S.Marinho, C. Real, L. Cyrne, H. Soares, F. Antunes,
Redox Biol. 2014, 2, 535-562. Top 10%
Hydrogen peroxide (H2O2), a reactive oxygen species (ROS), is a ubiquitous oxidant
present in all aerobic organisms. Since its first identification in a living cell, H2O2 was
considered a toxic by-product of aerobic metabolism, something that cells had to
remove. If H2O2 detoxification catalyzed by catalases and peroxidases was not
adequate, H2O2 would diffuse and oxidize biological targets causing cellular
malfunctions, i.e. oxidative stress, responsible for several pathologies and aging.
Starting in the 90s this paradigm of hydrogen peroxide as toxic started to change to a
paradigm where hydrogen peroxide acts in cellular regulation and is involved in
cellular signalling – redox signalling – through the oxidation of thiols in proteins that
act as redox sensors. Nowadays, redox biology is an established field and the
essential regulating role played by H2O2 in vivo with important implications in health
and disease is unquestionable. In this work it was shown that the complexity of redox
regulation increases along the phylogenetic tree and that H2O2 modulates gene
expression at all steps from transcription to protein synthesis. Also, some of the
unanswered questions regarding our understanding of redox-dependent regulation
of gene expression were addressed:
What makes a good H2O2 sensor?
What are the common chemical and kinetic principles that govern H2O2
signaling?
Is it possible to obtain an integrative view of H2O2 regulation of transcription
factors?
72
Separation Science &
Technology Group
The Separation Science & Technology (SS&T) group is
composed by two research laboratories, namely, the
Chromatography & Capillary Electrophoresis Lab. and the
Hydrometallurgical Separations Lab. The common goal of
our group is the development of new approaches to
implement chemical separation techniques. The research
work carried out by our group is based on two different
research lines:
The Chromatography and Capillary Electrophoresis line is
involved on the development of new analytical
methodologies to monitor trace levels of several classes
of emergent compounds (e.g. EDC’s, PPCP’s, POP’s,
DBP’s, etc.) from many type of priority matrices. Most of
our analytical work has been focused on the
implementation of novel sorption-based microextraction
methodologies in combination with modern instrumental
systems, in particular as analytical alternatives to
monitor environmental, pharmaceutical, food, forensic
and biological samples.
The Hydrometallurgical Separations line focuses research
on the development and characterization of new
functional organic molecules to efficiently and selectively
recover metal species from feed industrial complex
aqueous solutions, and / or effluents. One of the aims is
to contribute to the decontamination of the
environment, through innovative processes for the
hydrometallurgical recycling of end-of-life materials, and
profiting from the economic value several metals in
industrial wastes have.
http://sepscitech.fc.ul.pt/
73
Highlight
New microextraction technologies for trace analysis of
priority compounds
PPCPs
Drugs of abuse
Pesticides
Desinfection by-products
Flavonoids
Phenolic compounds
Bar Adsorptive Microextraction (BAµE) Coated with Mixed Sorbent Phases - Enhanced
selectivity for the determination of non-steroidal anti-inflammatory drugs in real
matrices in combination with capillary electrophoresis, S.M. Ahmad, C. Almeida, N.R.
Neng, J.M.F. Nogueira, J. Chromatogr. B, 2016, 1008, 115-124
Stir-bar Sorptive Extraction: 15 years making sample preparation more environmentfriendly, J.M.F. Nogueira, Trends Anal. Chem., 2015, 71, 214-223
Adsorptive Microextraction Techniques - Novel analytical tools for trace levels of polar
solutes in aqueous media, N.R. Neng, A.R.M. Silva, J.M.F. Nogueira, J. Chromatogr. A,
2010, 1217, 7303-7310
Recently, we have been involved in the development of new generation of
microextraction devices, which are much more effective as sample preparation
technologies, presenting easy and fast manipulation and are in compliance with the
green analytical chemistry principles.
In the analytical point of view they have been tested in monitoring trace and ultratrace levels of priority and emerging organic compounds, such pharmaceutical and
personal care products, drugs of abuse, pesticides, disinfection by-products,
flavonoids, phenolic compounds etc., in matrices from areas with impact in society at
large.
74
Highlight
Investigating the composition of the extracted species when
sulfur-containing extractants are used for Pd(II) extraction
from concentrated HCl solutions
0.19 1.47
4.0
6.03
3.5
0
0,0005
0,001
[Pd(II)] extracted / M
1.5
1.0
0.5
0
3
CH
O
0,0015
1.09
0.89 1.07
0.88
0.86
6.51 5.64 3.28 5.74 2.01 2.28 0.42
3.0
2.5
2.0
Chemical Shift (ppm)
MCHTA
MPHTA
0
1.35
1.80
2.43
2.35
1.48
1.71
4.5
0,0005
1.66
1.64
2.89
0
2.95
0.25
y = 1.52x + 0.0005
R² = 0.983
0,001
0.50
3.54
3.49
3.45
0,0015
0.75
4.53
4.50
4.47
4.43
4.39
4.28
4.22
4.18
4.14
4.06
0,002
2.87
DMDCHTDGA
1.25
2.80
y = 2.07x + 0.0004
R² = 0.998
0,0025
Normalized Intensity
Initial [extractant] / M
0,003
N
O
C
H3
S
N
Palladium(II) Extraction from Concentrated
Chloride Media – Reactions Involving Thioamide
Derivatives, O. Ortet, M.S.C.S. Santos, A.P. Paiva,
Sep. Sci. Technol. 51(9), 1461-1471, 2016.
Palladium(II) and N,N′-Dimethyl-N,N′-dicyclohexylthiodiglycolamide – the Extracted
Species from Concentrated Chloride Solutions, O. Ortet, M.S.C.S. Santos, A.P. Paiva, Sep.
Purif. Technol., 170, 1-9, 2016.
A thiodiglycolamide and two thioamide derivatives have been developed for the
liquid-liquid extraction of Pd(II) from concentrated HCl solutions. In addition to a
remarkable efficiency towards Pd(II) extraction, these compounds are selective for
this platinum-group metal (PGM) when this is part of complex metallic solutions
coming from the hydrometallurgical treatment of spent industrial catalysts, e.g.,
containing excess concentrations of aluminum and iron.
The crossed information between equilibrium, spectroscopic and molar volume data
allowed proposals for the composition of the Pd(II) extracted species until 4.5 M HCl:
(L – organic extractants)
Thioamides: [PdCl2L2]
Thiodiglycolamide: {[PdCl2L2]. ≈ 0.3 LH+ Cl-}
75
76
Solid State Chemistry
The main goal of the Solid State Chemistry group is related
to the preparation and characterization of environmental /
energy / biocompatible materials with high economic and
social benefit. Solid State Chemistry Group interests are
focused on functional inorganic materials, namely binary
and ternary oxides. These materials can be designed,
tailoring its properties and improving its functionality
through solid state chemistry, solution chemistry,
hydrothermal and/or electrochemical synthesis routes.
Applications of these materials include:
Environment protection – Development of new catalysts
for toxic pollutants and pharmaceutical drugs degradation,
by means of photocatalysis or photoelectrocatalysis
processes. The group combines different materials
composition with specific methods of synthesis to design
the catalyst surface, which is crucial to improve the
catalytic activity.
Energy conversion – The manufacture and improvement of
photoanodes for dye-sensitised solar cells (DSSC) is an
area where the SSC group has been working. The main
objective of our work is the enlargement of metal oxide
based nanostructures that maximize the electron
transport, enhancing the power conversion efficiencies of
the DSSC device, using low-cost and soft processing
methods.
Biomedicine – One of the biomedical applications of
magnetic iron oxide nanoparticles is magnetic
hyperthermia for cancer therapy, a technique which allows
to destroy cancer cells, also increasing the efficiency of
chemo- or radiotherapy. Our group is particularly
interested in the development of new biocompatible
materials with magnetic properties suitable to make them
good candidates for magnetic hyperthermia for cancer
therapy.
http://ssc.ciencias.ulisboa.pt/
77
Highlight
New materials for wastewater treatment
Hierarchically grown CaMn3O6 nanorods by RF
magnetron sputtering for enhanced visible-lightdriven photocatalysis, B. Barrocas, S. Sério, M. E.
Melo Jorge, J Phys Chem C, 2014, 118,
24127−24135.
Annealed Ti/Zn-TiO2 nanocomposites tested as
photoanodes for the degradation of Ibuprofen, A.
Gomes, T. Frade, K. Lobato, M. E. Melo Jorge, M. I.
da Silva Pereira, L. Ciriaco, A. Lopes, J. Solid State
Electr, 2012, 16, 2061-2069.
The removal of organic pollutants and pharmaceutical drugs from wastewater is
currently one of the major concerns in environmental control. In order to address
these problems, considerable efforts have been devoted to develop techniques more
effective than the conventional processes to eliminate these pollutants.
Removal of organic pollutants:
For the first time the growth of immobilized CaMn3O6 nanorods (NRs) by RF
magnetron sputtering onto quartz glass substrates was carried out. It was found that
the immobilized CaMn3O6 NRs exhibit much higher photocatalytic activity than the
TiO2 films on the degradation of Rh6G under visible light irradiation. This study
further revealed that the high catalytic efficiency of CaMn3O6 NRs probably arises as
a result of the complex interaction between the double chains of edge-shared MnO6
octahedra, the mixture between Mn3+ and Mn4+, and/or the higher surface-tovolume ratio (surface morphology) afforded by the nanorods geometry, together with
a process of dye self-sensitization. Furthermore, it is reported here the importance of
this new nanostructured material in obtaining active visible-light photocatalysts.
Pharmaceutical drugs degradation:
Photoactive annealed Ti/Zn-TiO2 electrodes were successfully prepared and used for
the first time on the photoelectrochemical degradation of Ibuprofen. We
demonstrated that Ibuprofen was efficiently degraded probably due to high area of
the films, as a consequence of their morphology: ZnO needle-shaped grains.
78
Highlight
Tailoring one-dimensional nanostructured metal oxides and
their application in energy conversion technology
1 m
Nucleation and growth of ZnO nanorod arrays onto flexible substrates, D. Siopa, A. Gomes,
J. Electrochem. Soc. 2013, 160, D476-484.
A possible growth mechanism for ZnO-TiO2 composite nanostructured films prepared by
electrodeposition, T. Frade, M. E. Melo Jorge, B. Fernández, R. Pereiro, A. Gomes, J.
Electrochem. Soc. 2014, 161, D125-D133.
The general use of solar energy harvesting is still limited by two significant
challenges, conversion efficiency and cost. Among novel PV technologies, the highest
efficiency was attained, up to now, with solid-state perovskite solar cells (PSC) with
an overall efficiency of 20 %.
The manufacture and improvement of electron-transporting materials for PSC is an
important subject which has been developed in recent years by our group,
contributing to the progress of new technologies for applications in energy
conversion.
Our principal aim is to develop metal oxides based nanostructures that maximize the
electron transport, enhancing the power conversion efficiencies of the solar cells
device, using low-cost and soft processing methods, combining electrochemicalchemical deposition routes.
This work is developed in straight collaboration with DEGGE/FCUL, CEFITEC/FCT/UNL
and CIDETEC.
79
Highlight
Synthesis of magnetic nanoparticles for magnetic hyperthermia
Hyperthermia studies of ferrite nanoparticles synthesized in the presence of cotton
S.G. Mendo, A. F. Alves, L. P. Ferreira, M.M. Cruz, M.H. Mendonça, M. Godinho and M.
Deus Carvalho, New J. Chem., 2015, 39, 7182 – 7193.
Magnetic hyperthermia therapy can be a valuable aid in cancer treatment, with less
harmful side effects to the patient. It relies on the heat released by magnetic
nanoparticles under the influence of an alternate magnetic field. Magnetite (Fe3O4)
and maghemite (-Fe2O3) are by far the most explored nanoparticles for
hyperthermia applications, but other ferrites, nanocomposites and core@shell
structures are also being investigated, in order to improve their ability to act as nanoheaters, making them useful for magnetic hyperthermia.
The Solid State Group from CQB, working in straight collaboration with BioISI Biosystems and Integrative Sciences Institute, has been especially involved in the
search of new synthesis and processing methods that can improve the magnetic
properties of the nanoparticles. We intend to pursue this route since, in spite of the
large efforts deployed by various research groups, the thermal efficiency of
biocompatible nanoparticles have not yet reached the threshold required to allow
regular efficient clinical use of magnetic hyperthermia.
80
Structure and Reactivity
The major long term goal of the Structure and Reactivity
group (SRG) is the development of rigorous and wellvalidated
quantitative
structure-property/activity
relationships (QSPR/QSAR) to interpret and predict
biological and physicochemical phenomena, as well as to
assist in the design, synthesis and assessment of new
molecules.
The group’s expertise in structural characterization of
either newly synthesized molecules (designed on the basis
of various QSAR methodologies) or of isolated compounds
from natural sources (e.g., marine invertebrates from
Portuguese exclusive waters), has also been focused
on the evaluation of antimicrobial activities, in particular
antitubercular activities against wild and resistant strains,
or on the identification of new leads to target cancer and
Central Nervous System disorders (e.g., IDO, β-amyloid
and TAU proteins), within the scope of several
collaborations.
Also central to the group’s work is the structural and
physicochemical characterization of conventional and/or
non-conventional solvents and their mixtures, for solvent
tuning in dynamic and equilibrium processes, in view of
greener future applications in synthetic, separation and/or
CO2 capture processes.
SRG integrates researchers with diverse backgrounds and
skills ranging from Physical to Organic Chemistry. It has a
consolidated know-how in spectroscopic characterization,
in the study of solute and solvent effects and in the
accurate evaluation of kinetic, thermodynamic, interfacial
and solvatochromic properties, as well as in the use of
statistical and machine learning techniques such as
Multiple Linear Regressions and Neural Networks.
http://structreact.fc.ul.pt/
81
Highlight
Unraveling antitubercular drug activities using
experimental and in silico approaches
Molecular details of INH-C10 binding to wt KatG and to its S315T mutant, V. H. Teixeira, C.
Ventura, R. Leitão, C. Rafols, E. Bosch, F. Martins, M. Machuqueiro, Mol. Pharmaceutics,
2015, 12, 898.
Isoniazid (INH) is still one of the two most effective antitubercular drugs and is part of all
recommended multitherapeutic regimens. Due to the increasing resistance of
Mycobacterium tuberculosis to INH, new INH-based compounds have been proposed to
circumvent this problem. Among the most promising compounds, a new, QSAR-based
designed, INH derivative with an alkyl chain in C10 (INH-C10), showed a six-fold increase in
activity against a katG S315T mutated strain of Mtb. Continuing our efforts to rationalize this
unexpected result, molecular dynamics simulations over wild type and mutated strains were
carried out with ITC group, in order to explore the conformational space of both proteins.
Also, molecular docking studies were used to determine the preferred modes of binding of
the two substrates, INH and INH-C10, with the enzymes. Results showed that the increase in
activity of INH-C10 could not be assigned to changes in the steric environment of the access
channel to the heme site, since they were found to be negligible, but rather to subtle
electrostatic changes in the vicinity of the heme pocket which will influence its reactivity. On
the other hand, the C10 chain seems to be able to counterbalance most of the
conformational restrictions introduced by the mutation thus leading to an activity
enhancement. Further research involving soaking experiments with INH-C10 in KatG, assays
to assess the amount of produced free radicals, and computational studies to calculate
energy barriers of radical formation are being performed within the scope of a recently set
collaboration with Prof. P. Loewen in Canada to try to shed some light into these “drug”target interactions.
82
Highlight
Hybrid indoles as antitubercular agents
9
Synthesized cpds
Model I
Predicted log(1/MIC)
8
7
6
5
4
3
2
2
4
6
8
Observed log(1/MIC)
Design, synthesis and biological evaluation of hybrid indoles as potentially new
antitubercular agents., A. Soares, M.S. Estevão, M.M.B. Marques, V. Kovalishyn, D.A.R.S.
Latino, J. Aires-de-Sousa, J.Ramos, M. Viveiros, F. Martins., 2016 (submitted)
In line with our QSAR-oriented design of new antitubercular compounds, we
have pursued with our partners, as foreseen in project PTDC/QUI/67933/2006,
our modeling studies of a 4th target family – the indole family. Based on
classification and regression models built using Random Forests and Associative
Neural Networks, four compounds were actually synthesized and assessed
against the H37Rv strain of Mycobacterium tuberculosis (Mtb). One of them
ranks among the top range of known antitubercular indole-based derivatives.
83
Highlight
Thermodynamic studies of CO2 absorbent solvents
C
C
N
Thermodynamics of
{water + a new generation
sterically hindered amine}
for CO2 capture
C
C
C
O
O
Thermodynamic study of aqueous 2-(isopropylamino)ethanol. A sterically hindered new
amine absorbent for CO2 capture, I.M.S. Lampreia, Â.F.S. Santos, M.L.C.J. Moita, L.C.S.
Nobre, J. Chem.Therm., 2015, 81, 167–176.
CO2 emissions generated by fossil fuel combustion are the major source of
greenhouse gases. Among the technologies available for CO2 capture, solvent
absorption has been the most widely used. Aqueous amines and alkanolamines
are important chemicals used by industry for this purpose, as they present low
regeneration energy costs. In this respect, a complete thermodynamic
characterization of these solvent systems is crucial to gather information on
changes in aggregation and hydration patterns which might have an impact on
their absorption efficiency. Studies involving e.g., aqueous mixtures of 2isopropylamino)ethanol, a member of a hindered new generation of amine
absorbents, have been systematically carried out in different composition
ranges and temperatures within the scope of an ongoing collaboration with
Centro de Química Estrutural – Ciências.
84
Highlight
Other research contributions for the Clean Environment
thematic line
Enhanced clofibric acid removal by activated carbons: water hardness as a key parameter.,
A.S. Mestre, A.Nabiço, P.L. Figueiredo, M.L. Pinto, M.S.C.S. Santos, I.M. Fonseca., Chemical
Engineering Journal 2016, 286, 538–554.
Effects of aggregation in solution have proven to be relevant in the adsorption
of various pharmaceuticals. Clofibric acid is a persistent polluent (blood lipid
regulator) and its adsorption behavior on activated carbons, depends on
carbon textures and water hardness (coordination), a phenomenon which is
determinant for sewage plant removal efficiency [1]. This work was carried out
in collaboration with the Adsorption and Adsorbent Materials group.
The recovery of spent catalytic converters stands as an important milestone for
the design of efficient extractants, as well as for the comprehension of the
extraction mechanisms, and our collaboration with the Separation, Science &
Technology group deals with both these aspects[2].
85
86
87
88
Publications
Synthesis of glucopyranos-6ʹ-yl purine and pyrimidine
isonucleosides as potential cholinesterase inhibitors. Access to
pyrimidine-linked pseudodisaccharides through Mitsunobu
reaction
D. Batista, S. Schwarz, A. Loesche, Re. Csuk, Paulo J. Costa, M.
Conceição Oliveira, Nuno M. Xavier
Pure Appl. Chem., 2016, accepted. IF: 2.492, Q1
http://dx.doi.org/10.1515/pac-2016-0102
Heterodinuclear Ni(II) and Cu(II) Schiff base complexes and their
activity in oxygen reduction
S. Realista, P. Ramgi, B. P. Cardoso, A. I. Melato, A. S. Viana, M. J.
Calhorda, P. N. Martinho
Dalton Trans., 2016, accepted.
New [(η5-C5H5)Ru(N-N)(PPh3)][PF6]compounds: colon
anticancer activity and GLUT-mediated cellular uptake of
carbohydrate-appended complexes
P. Florindo, D.Pereira, P. Borralho, Paulo J. Costa, M. F. M. Piedade,
C. Rodrigues, Ana C. Fernandes
Dalton Trans., 2016, accepted. IF: 4.197, Q1
http://dx.doi.org /10.1039/C6DT01571A
ZnO seed layers prepared by DC Reactive Magnetron Sputtering
to be applied as electrodeposition substrates
D. Siopa, S. Sério, M.E. Melo Jorge, A.S. Viana, A. Gomes
J. of Electrochem. Soc., 2016, accepted IF: 3,266, Q1
Dynamic spin interchange in a tridentate Fe(III) Schiff-base
compound
Ana I. Vicente, Abhinav Joseph, Liliana P. Ferreira, Maria de
Deus Carvalho,
Vítor H. N. Rodrigues, Mathieu Duttine,
Herminio P. Diogo, Manuel E. Minas da Piedade, Maria José
Calhorda and Paulo Martinho
Chem. Sci., 2016, IF: 9.211,Q1, Top 5%
http://dx.doi.org/10.1039/C5SC04577K
Looking inside the pores of a Mo-based heterogeneous styrene
oxidation catalyst: an inelastic neutron scattering study
C. I. Fernandes, S. Rudic, P. D. Vaz, C. D. Nunes,
Phys. Chem. Chem. Phys., 2016 (in press). IF: 4.493, Q1 Top 10%
http://dx.doi.org/10.1039/C6CP01243D
Catalytic application of Fe-doped MoO2 tremella-like nanosheets
A. Bento, A. Sanches, P. D. Vaz, C. D. Nunes
Top. Catal., 2016 (accepted). IF: 2.365, Q1
http://dx.doi.org/10.1007/s11244-016-0631-x
The role of fibrinogen in ATTR: evidence for chaperone activity
loss in disease
D. Fonseca, S. Gilberto, C. Ribeiro-Silva, R. Ribeiro, I. Guinote, S.
Saraiva, R. A. Gomes, É. Mateus, A. S. Viana, E. Barroso, A. Ponces
Freire, P. Freire, C. Cordeiro, G. da Costa
J. Biol. Chem., IF 4.573, Q1, Top 10%
http://dx.doi.org/10.1042/BCJ20160290
Layered Double Hydroxide Nanocluster: Aqueous, Concentrated,
Stable, and Catalytically-Active Colloids towards Green Chemistry
Y. Tokudome, T. Morimoto, N. Tarutani, P. D. Vaz, C. D. Nunes, V.
Prevot, G. Stenning, M. Takahashia
ACS Nano, 2016, 10, 5550–5559. IF: 12.881, Q1 Top 1%
http://dx.doi.org/10.1021/acsnano.6b02110
In vitro antioxidant and anti-inflammatory properties of
Limonium algarvense flowers’ infusions and decoctions: a
comparison with green tea (Camellia sinensis)
M.J. Rodrigues, V. Neves, A. Martins, A.P. Rauter, N.R. Neng, J. M.
F. Nogueira, J. Varela, L. Barreira, L.Custódio
Food Chem.2016, 200, 322–329. IF:3.391, Q1, Top 10%
http://dx.doi.org/10.1016/j.foodchem.2016.01.048
Titanate nanotubes sensitized with silver nanoparticles:
Synthesis, characterization and in-situ pollutants
photodegradation
B. Barrocas, C. D. Nunes, O. C. Monteiro
Appl. Surf. Sci., 2016, 385, 18–27. IF: 2.711, Q1
http://dx.doi.org/10.1016/j.apsusc.2016.05.080
A high loaded cationic nanoemulsion for quercetin delivery
obtained by sub-PIT method
M.F. Dario, M.S.C.S. Santos, A.S. Viana, E.P.G. Arêas, N.A. BouChacra, M.C. Oliveira, M.E. Minas da Piedade, A.R. Baby, M.V.R.
Velasco.
Colloids Surf., A, 2016, 489, 256–264. IF: 2.572, Q2
http://dx.doi.org/10.1016/j.colsurfa.2015.10.031
Hydrogen peroxide regulates cell adhesion through the redox
sensor RPSA
F. Vilas-Boas, A. Bagulho, R. Tenente, V.H. Teixeira, G. Martins, G.
da Costa, A. Jerónimo, C. Cordeiro, M. Machuqueiro, C. Real
Free Radic. Biol. Med, 2016, 90:145-57. IF: 5.736, Q1, Top 10%
http://dx.doi.org /j.freeradbiomed.2015.11.019
Catalytic Co and Fe porphyrin/Fe3O4 nanoparticles assembled on
gold by carbon disulfide
I.Almeida, S.G. Mendo, M.D. Carvalho, J.P. Correia, A.S. Viana
Electrochim. Acta, 2016, 188, 1–12, IF: 4,504, Q1, Top 10%
http://dx.doi.org / 10.1016/j.electacta.2015.11.120
Metabolomics for undergraduates: Identification and pathway
assignment of mitochondrial metabolites
A.P. Marques, M.L. Serralheiro, A.E.N. Ferreira, A.P. Freire, C.
Cordeiro, M.S. Silva
Biochem. Mol. Biol. Educ., 2016, 44 (1), 38-54. IF: 0.654, Q3
http://dx.doi.org/10.1002/bmb.20919. (Epub 2015, Nov 5)
Synthetic Cobalt Clays for the Storage and Slow Release of
Therapeutic Nitric Oxide
Ana C. Fernandes, Moisés L. Pinto, Fernando Antunes, João Pires
RSC Adv., 2016, 6, 41195-41203. IF: 3.840, Q1
http://dx.doi.org /10.1039/c6ra05794b
Metabolite extraction for high-throughput FTICR-MS-based
metabolomics in grapevine
M. M. Maia, F. Monteiro, M. Sebastiana, A.P. Marques, A.E.N.
Ferreira, A. Ponces Freire, C. Cordeiro, A. Figueiredo, M. Sousa
Silva
EuPA Open Proteomics, 2016, 12, 4-9. Q4
http://dx.doi.org/10.1016/j.euprot.2016.03.002
Storage and Delivery of Nitric Oxide by Microporous
Titanosilicate ETS-10 and Al and Ga Substituted Analogues
Moisés L. Pinto, Ana C. Fernandes, Fernando Antunes, João Pires,
João Rocha
Microporous and Mesoporous Mater., 2016, 229, 83. IF: 3.453,Q1
http://dx.doi.org /10.1016/j.micromeso.2016.04.021
89
Publications
Enhanced clofibric acid removal by activated carbons: Water
hardness as a key parameter
Ana S. Mestre, André Nabiço, Patrick L. Figueiredo, Moisés L. Pinto,
M. Soledade C.S. Santos, I.M. Fonseca
Chem. Eng. J. 286 (2016) 538-548. IF: 4.321, Q1, Top 10%
http://dx.doi.org /10.1016/j.cej.2015.10.066
Physicochemical Characterization of Organosilylated Halloysite
Clay Nanotubes
A. F. Peixoto, A. C. Fernandes, C. Pereira, João Pires, Cristina Freire
Microporous and Mesoporous Mater., 2016, 219, 145-154. IF:
3.453, Q1
http://dx.doi.org /10.1016/j.micromeso.2015.08.002
Revealing microheterogeneities and second order phase
transitions in aqueous mixtures of 1-propoxypropan-2-ol at 298
K.
I.M.S. Lampreia, A.F.S. Santos, C.M. Borges, M.S.C.S. Santos, M.L.C.
J. Moita, J.C.R. Reis.
Phys. Chem. Chem. Phys., 2016 (accepted). IF:4.493, Q1, Top 10%
http://dx.doi.org/10.1039/C6CP02408D
Biodiesel production waste as promising biomass precursor of
reusable activated carbons for caffeine removal.
Mary K.S. Batista, Ana S. Mestre, Inês Matos, Isabel M. Fonseca,
Ana P. Carvalho
RSC Advances, 2016, 6, 45419-45427. IF: 3.840, Q1
http://dx.doi.org /10.1016/j.cej.2015.10.066
Potato pell waste based activated carbon for the removal of
diclofenac
M. Bernardo, S. Rodrigues, N. Lapa, I. Matos, F. Lemos, M. K. S.
Batista, A.P. Carvalho, I. Fonseca
Int. J. Environ. Sci. Technol., in press. IF: 2.190, Q1
Palladium(II) Extraction from Concentrated Chloride Media –
Reactions Involving Thioamide Derivatives
Osvaldo Ortet, M. Soledade C. S. Santos, Ana Paula Paiva
Sep. Sci. Technol., 2016 (in press) IF: 1.171, Q2
http://dx.doi.org /10.1080/01496395.2016.1165250
Copper(I) complexes with phosphine derived from
sparfloxacin. Part II: a first insight into the cytotoxic action mode
U.K. Komarnicka, R. Starosta, M. Płotek, R.F.M. de Almeida, M.
Jeżowska-Bojczuk and A. Kyzioł
Dalton Trans., 2016, 45, 5052-5063. IF: 4.197, Q1
http://dx.doi.org /10.1039/C5DT04011F
Isololiolide, a carotenoid metabolite isolated from the brown alga
Cystoseira tamariscifolia, is cytotoxic and able to induce
apoptosis in hepatocarcinoma cells through caspase-3 activation,
decreased Bcl-2 levels, increased p53 expression and PARP
cleavage
Catarina Vizetto-Duarte, Luísa Custódio, Katkam N. Gangadhar,
João Henrique G. Lago, Catarina Dias, Ana Marta Matos, Nuno
Neng, José Manuel Florêncio Nogueira, Luísa Barreira, Fernando
Albericio, Amelia P. Rauter, João Varela
Phytomedicine, 2016, 23(5), 550–557. IF: 3.126, Q1, Top 5%
http://dx.doi.org /10.1016/j.phymed.2016.02.008
Biological activity of diterpenoids against Trypanosome cruz
S. Alegre-Gómez, Paula Sainz, M. Fátima Simões, Patrícia Rijo, C.
Moiteiro, Azucena González-Coloma, Rafael A. Martínez-Díaz
Planta Medica, 2016 (in press). IF: 2.152, Q1, Top 10%
Apicomplexans pulling the strings: manipulation of the host cell
cytoskeleton Dynamics
R.Cardoso, H. Soares, A. Hemphill, A. Leitão
Parasitology, 2016, 4:1-14. IF: 2.56, Q1
http://dx.doi.org/10.1017/S0031182016000524
An easy approach to dihydrochalcones via chalcone in situ
hydrogenation
A. R. Jesus, A. P. Marques, A. P. Rauter
Pure Appl. Chem., 2016 (in press). IF: 2.492, Q1
Monolithic Porous Carbon Materials Prepared from Polyurethane
Foam Templates
João Pires, André Janeiro, Filipe J. Oliveira, Alexandre C. Bastos,
Moisés L. Pinto
Carbon Lett., 2016, 18, 1-7.IF :1.630
http://dx.doi.org /10.5714/CL.2016.18.1
The Roles of Peroxiredoxin and Thioredoxin in Hydrogen Peroxide
Sensing and in Signal Transduction
L.E.S. Netto, F. Antunes, F.
Mol. Cells, 2016, 39, 6571. IF: 2.242, Q3
http://dx.doi.org/10.14348/molcells.2016.2349
Data on intracellular localization of RPSA upon alteration of its
redox state
F. Vilas-Boas, A.Bagulho, A. Jerónimo, R. Tenente, C. Real
Data in Brief,2016, 6, 311-315. Open access
http://dx.doi.org/10.1016/j.dib.2015.12.017
Interaction of CO2 and CH4 with Functionalized Periodic
Mesoporous Phenylene–Silica: Periodic DFT Calculations and Gas
Adsorption Measurements
Mirtha A.O. Lourenço, Christophe Siquet, Mariana Sardo, Luis
Mafra, João Pires, Miguel Jorge, Moisés L. Pinto, Paula Ferreira,
José R. B. Gomes
J. Phys. Chem. C , 2016, 120, 3863−3875. IF: 4.772, Q1, Top 10%
http://dx.doi.org /10.1021/acs.jpcc.5b11844
N,N’-Tetrasubstituted Succinamides as New Molecules for
Liquid–liquid Extraction of Pt(IV) from Chloride Media
Maria Clara Costa, Ruben Almeida, Ana Assunção, Ana Maria Rosa
da Costa, Carlos Nogueira, Ana Paula Paiva
Sep. Purif.Technol. 158 (2016) 409-416. IF: 3.091, Q1
http://dx.doi.org / 10.1016/j.seppur.2015.12.035
Magnetically Recyclable Mesoporous Iron Oxide-Silica Materials
for the Degradation of Acetaminophen in Water under Mild
Conditions
João Pires, Susana Borges, Ana Carvalho, Clara Pereira, André M.
Pereira, Carlos Fernandes, João P. Araújo, Cristina Freire
Polyhedron, 2016, 106, 125-131. IF:2.011, Q2
http://dx.doi.org /10.1016/j.poly.2016.01.007)
Determination of Trace Levels of Irgarol in Estuarine Water
Matrices by Bar Adsorptive Microextraction (BAµE)
B.B.C. Calado, S.M. Ahmad, C. Almeida, N.R. Neng, J.M.F. Nogueira
J. Chromatogr. Sci. (in press). IF: 1.363, Q2
http://dx.doi.org / 10.1093/chromsci/bmw076
90
Publications
Determination of trace levels of triazines in corn matrices by bar
adsorptive microextraction with a molecularly imprinted polymer
F.N. Andrade, A.H. Ide, N.R. Neng, F.M. Lanças, J.M. Nogueira
J. Sep. Sci., 2016, 39(4), 756-761. IF: 2.737, Q1
http://dx.doi.org /10.1002/jssc.201501101
Assessment and Comparison of the Properties of Biodiesel
Synthesized from Three Different Wet Microalgae Biomass
K.N.Gangadhar, H.Pereira, H.P.Diogo, R.M.Borges dos Santos, B.L.
A.P.Devi, R.B.N.Prasad, L.Custódio, F.X.Malcata, J.Varela, L.Barreira
J. Appl.Phycology, 2016, 28, 1571-1578. IF: 2.559, Q1
http://dx.doi.org/10.1007/s10811-015-0683-5
Bar adsorptive microextraction (BAμE) coated with mixed
sorbent phases – Enhanced selectivity for the determination of
non-steroidal anti-inflammatory drugs in real matrices in
combination with capillary electrophoresis
S.M. Ahmad, C. Almeida, N.R. Neng, J.M.F. Nogueira.
J. Chromatogr. B, 2016, 1008, 11. IF: 2.729, Q1
http://dx.doi.org/10.1016/j.jchromb.2015.11.018
Quantification and structural characterization of raffinose family
oligosaccharides in Casuarina glauca plant tissues by porous
graphitic carbon electrospray quadrupole ion trap mass
spectrometry
T. F Jorge, Maria H Florêncio, Ana I. Ribeiro-Barros, Carla António
Int. J. Mass spectrom., 2016, IF:1.972, Q1
http://authors.elsevier.com/sd/article/S1387380616300458
Titanate nanorods sensitized with nanocrystalline ZnS particles
and their photocatalytic activity on pollutants removal
G. Naudin, T. Entradas, B. Barrocas, O.C. Monteiro
J. Mat. Sci. Technol., 2016, IF 1.909, Q1
Inhibition of HMG-CoA reductase activity and cholesterol
permeation through Caco-2 cells by caffeoylquinic acids from
Vernonia condensata leaves
Ana A. Arantes, Pedro L. Falé, Larissa C.B. Costa, Rita Pacheco, Lia
Ascensão, Maria L. Serralheiro.
Brazilian Journal of Pharmacognosy, 2016. IF:0.834, Q2
An ultrarapid and regenerable microfluidic immunoassay coupled
with integrated photosensors for point-of-use detection of
ochratoxin A
R. R. G. Soares; Diogo Ramadas; V. Chu; M. R. Aires-Barros, J. P.
Conde; A. S. Viana; A. C. Cascalheira
Sens. Actuators B, 2016 in press, IF 4.097, Q1
http://dx.doi.org/10.1016/j.snb.2016.05.124
Fighting collinearity in QSPR equations for solution kinetics with
the Monte Carlo method and total weighting
R. Leitão
J. Brazilian Chem. Soc., 2016, accepted. IF: 1.129, Q2
http://dx.doi.org/10.5935/0103-5053.20160097
Potential Modulation on Total Internal Reflection Ellipsometry
W. Liu, Y. Niu, A. S. Viana, J. P. Correia, G. Jin
Anal. Chem., 2016, 88, 3211–3217, IF: 5.636, Q1, Top 10%
http://dx.doi.org/1021/acs.analchem.5b04587
A semi-empirical equation for describing the surface tension of
aqueous organic liquid mixtures.
M.S.C.S. Santos, J.C.R. Reis.
Fluid Phase Equilib., 2016, 423, 172–180, accepted. IF: 2.200, Q1
http://dx.doi.org/10.1016/j.fluid.2016.04.025
Argon assisted chemical vapor deposition of CrO2: an efficient
process leading to high quality epitaxial films
A.Duarte, N.Franco, A.SViana, N.I.Polushkin, A.J.Silvestre, O.Conde
J. Alloys Compd, in press, IF: 2.999; Q1
http://dx.doi.org/10.1016/j.jallcom.2016.05.167
Flower colour and essential oil composition in Erica australis L.
grown in Portugal.
P. Dias, A. C. Figueiredo, A. Martins, A. P. Rauter.
J. Essential Oil Bearing Plants, 2016, accepted, IF: 0.306
An Imaging Ellipsometry Approach to Dissolved Oxygen
Measurement on Surface Tethered Weak Polyelectrolyte
Modified Electrode
W. Liu, M. Li, B. Lv, Y. Chen, H. Ma, A.S.Viana, J.P.Correia, and G. Jin
J. Electrochem Soc, 2016, 163, H286-H291. IF: 3.266, Q1
http://dx.doi.org/10.1149/2.0331605jes.
An integrated nutritional approach as a sustainable tool to
prevent malnutrition in older people and promote active and
healthy ageing
M. Illario, A. S. Maione, M. R. Rusciano, E. Goessens, A. Rauter, N.
Braz, H. Jager-Wittenaar, C. Di Somma, M. Soprano, L. Vuolo, P.
Campiglia, M. A. Succi, H. Griffiths, T. Hartman, A. Colao, R. RollerWirnsberger
The EIP on AHA Nutrition Action Group, Advances in Public Health,
2016, in press, Open access.
Corrosion of silver alloys in sulphide environments: a
multianalytical approach for surface characterization
I.Tissot, O. C. Monteiro, M. A. Barreiros, V. Corregidor, J. Correia,
M. F. Guerra
RSC Adv.,2016, 6, 51856-51863. IF: 3.840, Q1
http://dx.doi.org/10.1039/C6RA05845K
Can macroalgae provide promising anti-tumoral compounds? A
closer look at Cystoseira tamariscifolia as a source for antioxidant
and anti-hepatocarcinoma compounds
C. Vizetto-Duarte, L. Custodio, G. Acosta, J. H. G. Lago,T. R. Morais,
C. B. de Sousa, K. Gangadhar, M. J. Rodrigues, H. Pereira, R. T.
Lima, M. H.Vaconcelos, L.Barreiro, A.P.Rauter, F.Alberício, J. Varela
PEERJ, 2016, 4, article e1704, IF:2.1, Q1
http://dx.doi.org/10.7717/peed.1704
The effect of ionic Co presence on the structural, optical and
photocatalytic properties of modified cobalt-titanate nanotubes
B. Barrocas, A.J. Silvestre, A. G. Rolo and O.C. Monteiro
Phys. Chem. Chem. Phys., 2016, accepted, IF: 4.493, Q1 Top 10%
http://dx.doi.org/10.1039/C6CP01889K
Structural and Energetic Characterization of Anhydrous and
Hemihydrated 2-Mercaptoimidazole: Calorimetric, X-Ray
Diffraction, and Computational Studies
A.L. R. Silva, V. M. F. Morais, M. C. Ribeiro da Silva, R. G. Simões, C.
E. S. Bernardes, M. F. M. Piedade, M. E. Minas da Piedade
J. Chem. Thermo. 2016, 95, 35-48. IF: 2.679, Q1
http://dx.doi.org/10.1016/j.jct.2015.11.010
Linking jasmonic acid to grapevine resistance against the
biotrophic oomycete Plasmopara vitícola
A.Guerreiro, J. Figueiredo, M. Sousa Silva, A. Figueiredo
Frontiers in Plant Science – Special Research Topic on “Biotrophic
plant-microbe interactions”, 2016, 7, 565. IF: 3.948, Q1, Top 10%
http://dx.doi.org/10.3389/fpls.2016.00565
91
Publications
Cloning, Characterization, and Expression Levels of the Nectin
Gene from the Tube Feet of the Sea Urchin Paracentrotus Lividus
D. Toubarro, A. Gouveia, R.M. Ribeiro , N. Simões, G. da Costa , C.
Cordeiro and R. Santos
Mar Biotechnol (NY). 2016 in press, IF: 3.269, Q1
Opening the Way to Catalytic Aminopalladation/Proxicyclic
Dehydropalladation: Access to Methylidene γ-Lactams
M. M. Lorion, F. J. S. Duarte, M. J. Calhorda, J. Oble, G. Poli
Org. Letters 2016, 18, 1020–1023. IF: 6.364, Q1 Top 5%
http://dx.doi.org/10.1021/acs.orglett.6b00143
Deciphering the molecular mechanisms underlying sea urchin
reversible adhesion: A quantitative proteomics approach.
N. Lebesgue, G. da Costa, R.M. Ribeiro, C. Ribeiro-Silva, G.G.
Martins, V. Matranga, A. Scholten, C. Cordeiro, A.J. Heck, R. Santos
J Proteomics, 2016, 138, 61-71, IF: 3.888, Q1
http://dx.doi.org/10.1016/j.jprot.2016.02.026
Gelatine-assisted synthesis of magnetite nanoparticles for
magnetic hyperthermia.
André F. Alves, Sofia G. Mendo, Liliana P. Ferreira, Maria Helena
Mendonça, Paula Ferreira, Margarida Godinho, Maria Margarida
Cruz, Maria Deus Carvalho
J Nanopart Res.,2016, 18:27, IF: 2,184; Q2,
http://dx.doi.org / 10.1007/s11051-016-3327-z
Natural polymeric water-based adhesive from cork liquefaction.
R. G.dos Santos, R. Carvalho, E. R.Silva,J. C. Bordado, A. C. Cardoso,
M. R. Costa, M. M. Mateus
Ind. Crop. Prod., 2016, 84, 314–319. IF: 2.837, Q1
http://dx.doi.org /10.1016/j.indcrop.2016.02.020
Synthesis, coordination behavior and structural features of chiral
iron(II) PNP diferrocene complexes
Afrooz Zirakzadeh, Karl Kirchner, Alexander Roller, Berthold
Stoger, Maria Deus Carvalho and Liliana P. Ferreira
RSC Adv., 2016, 6, 11840 – 11847. IF: 3.840, Q1
http://dx.doi.org / 10.1039/c5ra26493f
pKa values of titrable amino acids at the water/membrane
interface
V. H. Teixeira, D. Vila-Viçosa, P. B. P. S. Reis, M. Machuqueiro
J. Chem. Theory Comput., 2016, 12, 930-934. IF: 5.498, Q1 Top 5%
http://dx.doi.org/10.1021/acs.jctc.5b00956
Removal of rhodamine 6G dye contaminant by visible light driven
immobilized Ca(1-x)Ln(x)MnO(3) (Ln = Sm, Ho; 0.1 <= x <= 0.4)
photocatalysts
B. Barrocas, S. Serio, A. Rovisco, Y. Nunes, M.E.M. Jorge,
Appl. Surf. Sci.,2016, 360, 798-806. IF: 2,711; Q1
http://dx.doi.org / 10.1016/j.apsusc.2015.11.070
New [(η5-C5H5)Ru(N-N)(PPh3)][PF6]compounds: colon
anticancer activity and GLUT-mediated cellular uptake of
carbohydrate-appended complexes
P. Florindo, D. Pereira, P. Borralho, P. J. Costa, M. F. M. Piedade, C.
Rodrigues, A. C. Fernandes
Dalton Trans. 2016, in press. IF: 4.197, Q1
http://dx.doi.org/10.1039/C6DT01571A
Electrochemical behavior of europium perovskites
(Ca0.6Eu0.4MnO3) in alkaline aqueous media
A.I. de Sá, C. M. Rangel, M. E. Melo Jorge
J Solid State Electrochem (on-line Março 2016), IF: 2,446, Q1
http://dx.doi.org / 10.1007/s10008-016-3184-9
Comment on “Theoretical studies on a carbonaceous molecular
bearing: association thermodynamics and dual-mode rolling
dynamics”
E. M. Cabaleiro-Lago, J. Rodríguez-Otero, A. Gil
Chem. Sci., 2016, 7, 2924-2928. IF: 9.211, Q1 Top 5%
http://dx.doi.org/10.1039/C5SC04676A
Environmental application of Ti/TiO2 anodes prepared by DCmagnetron sputtering: degradation of acid orange 7
Susana Sério, Luís Carlos Silva, Maria Estrela Melo Jorge, Sílvio
Ferreira, Lurdes Ciríaco, Maria José Pacheco, Ana Lopes
Environ. Eng. Manag. J. ,accepted, IF: 1,065; Q3
Helical materials with chiral Mo(II) catalysts
M. S. Saraiva, C. I. Fernandes, T. G. Nunes, C. D. Nunes
Topics in Catalysis, 2016, accepted. IF: 2.365, Q1
2015
Kinetics and Mechanism of the Thermal Dehydration of a Robust
and Yet Metastable Hemihydrate of 4-Hydroxynicotinic Acid
A.Joseph, C. E. S. Bernardes, A. S. Viana, M. F. M. Piedade, M. E.
Minas da Piedade
Cryst. Growth Des. , 2015, 15, 3511-3524. IF: 4.891, Q1 Top 5%
http://dx.doi.org/10.1021/acs.cgd.5b00594
Robust room temperature hysteresis in an FeIII spin crossover
metallomesogen
A.J.Fitzpatrick, P.N.Martinho, B.J.Gildea, J.D. Holbrey, G. G. Morgan
Eur. J. Inorg. Chem., 2016, 2025-2029. IF: 2.942, Q1
http://dx.doi.org/10.1002/ejic.201501335
Mechanistic Study of the Direct Intramolecular Allylic Amination
Reaction Catalyzed by Palladium(II)
F. J. S. Duarte, G. Poli and M. J. Calhorda
ACS Catal. 2016, 6, 1772–1784. IF: 9.312, Q1 Top 10%
http://dx.doi.org/10.1021/acscatal.5b02091
4F-PBP (4’-fluoro--pyrrolidinobutyrophenone), a new substance
of abuse: structural characterization and purity NMR profiling
H. Gaspar, S. Bronze, S. Ciríaco, C. Leal, A. Matias, J. Rodrigues, C.
Oliveira, C. Cordeiro, S. Santos
Forensic Sci. Int., 2015, 252, 168–176. IF: 2.140, Q1
http://dx.doi.org/10.1016/j.forsciint.2015.05.003
Reaction of Ph2P(CH2)nPPh2 (n = 1, 3, 5) with elemental tellurium
and comparison with members of even-numbered series
L.Jeremias, M.Babiak, V.Kubát,M.J.Calhorda, Z.Trávníček, J.
Novosad
Inorg. Chim. Acta. 2016, 443, 230-234. IF: 2.046, Q2
http://dx.doi.org/10.1016/j.ica.2016.01.015
Molecular details of INH-C10 binding to wt KatG and to its S315T
mutant
V. H. Teixeira, C. Ventura, R. Leitão, C. Ràfols, E. Bosch, F. Martins,
and M. Machuqueiro
Mol. Pharm., 2015, 12, 898–909. IF: 4.384, Q1
http://dx.doi.org/10.1021/mp500736n
92
Publications
Asymmetric Binuclear Ni(II) And Cu(II) SchIff Base
Metallopolymers
S. Realista, A. S. Viana, B. P. Cardoso, A. M. Botelho do Rego, P. D.
Vaz, A. I. Melato, P. N. Martinho, M. J. Calhorda
RSC Adv., 2015, 5, 39495–39504. IF: 3.840, Q1
http://dx.doi.org/10.1039/C5RA03560K
Helical channel mesoporous materials with embedded magnetic
iron nanoparticles: Chiral recognition and implications in
asymmetric olefin epoxidation
C.I. Fernandes, G.B.G. Stenning, J.D. Taylor, C.D. Nunes, P.D. Vaz
Adv. Synth. Catal., 2015, 357, 3127-3140. IF: 5.663, Q1, Top 10%
http://dx.doi.org/10.1002/adsc.201500441
MoO2 nanoparticles as highly efficient olefin epoxidation
catalysts
A.Bento, A. Sanches, E. Medina, C. D. Nunes, P. D. Vaz
Appl. Catal. A: Gen., 2015, 504, 399-407. IF: 3.942, Q1
http://dx.doi.org/10.1016/j.apcata.2015.03.024
Validation of the Steinrath index predictions for the resistance of
copper against corrosion in soils contaminated with chlorides
I.T.E. Fonseca, E. Niculita, I. Ornelas, M.D. Carvalho, P.D. Vaz
Corrosion J., 2015, 71, 1267-1277. IF: 0.930, Q2
http://dx.doi.org/10.5006/1720
Synthesis of titanate nanofibers co-sensitized with ZnS and Bi2S3
nanocrystallites and their application on pollutants removal
T.J. Entradas, J.F. Cabrita, B. Barrocas, M.R. Nunes, A.J. Silvestre,
O.C. Monteiro
Mater Res Bull, 2015, 72, 20-28. IF: 2.288, Q2
arXiv:1503.08693
Vanadyl cationic complexes as catalysts in olefin oxidation
C.D. Nunes, P.D. Vaz, V. Félix, L.F. Veiros, T. Moniz, M. Rangel, S.
Realista, A.C. Mourato, M.J. Calhorda
Dalton Trans., 2015, 44, 5125-5138. IF: 4.197, Q1
http://dx.doi.org/10.1039/c4dt03174a
New in vitro studies on bioprofile of Genista tenera
antihyperlipidemic extract
D.Batista, P.L. Falé, M.L. Serralheiro, M.E. Araújo, P. J.A. Madeira,
C. Borges, I. Torgal, M. Goulart, J. Justino, A. Martins, A.P. Rauter
Nat. Prod. Bioprospect, 2015, 5, 277-285, Open Access
http://dx.doi.org/10.1007/s13659-015-0077z
Highly selective and recyclable MoO3 nanoparticles in
epoxidation catalysis
C. I. Fernandes, P. D. Vaz, C. D. Nunes
Appl. Catal. A: Gen., 2015, 504, 344-350. IF: 3.942, Q1
L-Histidine Based Organoclays for the Storage and Release of
Therapeutic Nitric Oxide
A.C. Fernandes, M. L. Pinto, F.Antunes, J. Pires
J Mater Chem B Mater Biol Med, 2015, 3, 3556-3563. IF: 6.1, Q1
http://dx.doi.org/10.1039/C4TB01913J
Digestibility and bioavailability of the active components of Erica
australis L. aqueous extracts and their therapeutic potential as
acetylcholinesterase inhibitors
P. Dias, P.L. Falé, A. Martins, A.P. Rauter
Evidence-Based Complementary and Alternative Medicine, 2015,
Article ID 854373, IF: 1.880, Q1
http://dx.doi.org/10.1155/2015/854373.
Formation and properties of membrane ordered domains by
phytoceramide: role of sphingoid base hydroxylation
J. T. Marquês, A. M. Cordeiro, A. S. Viana, A. Herrmann, H. S.
Marinho, R. F. M. de Almeida
Langmuir, 2015, 31, 9410 9421. IF: 4.457, Q1
http://dx.doi.org/ 10.1021/acs.langmuir.5b02550
Wittig Reaction: Domino Olefination and Stereoselectivity DFT
Study. Synthesis of the Miharamycins' Bicyclic Sugar Moiety
V. Cachatra, A.Almeida, J. Sardinha, S. D. Lucas, A. Gomes, P. D.
Vaz, M. H. Florêncio, R.Nunes, D. Vila-Viçosa, M. J. Calhorda, and
A. P. Rauter
Org. Lett., 2015, 17, 5622–5625. IF: 6.364, Q1, Top 5%
http://dx.doi.org/10.1021/acs.orglett.5b02849
The extracellular matrix modulates H2O2 degradation and redox
signaling in endothelial cells
A.Bagulho, F. Vilas-Boas, A. Pena, C. Peneda, F. C. Santos, A.
Jerónimo, R. F. M. de Almeida, C. Real
Redox Biol., 2015, 6, 454–460. Top 10%
http://dx.doi.org/ 10.1016/j.redox.2015.09.006
Phospholipid/cholesterol/decanethiol mixtures for direct
assembly of immunosensing interfaces
I Almeida, J.T.Marquês, W. Liu, Y. Niu, R.F.M. de Almeida, G. Jin,
A.S.Viana
Colloids and Surfaces B: Biointerfaces,2015, 136, 997 – 1003. IF:
4.152, Q1
http://dx.doi.org/10.1016/j.colsurfb.2015.10.048
Unravelling the antioxidant potential and the phenolic
composition of different anatomical organs of the marine
halophyte Limonium algarvense
M.J. Rodrigues, A. Soszynski, A. Martins, A.P. Rauter, N.R. Neng,
J.M.F. Nogueira, J. Varela, L. Barreira,L. Custódio
Ind. Crop. Prod., 2015, 77, 315–322. IF: 2.837, Q1
http://dx.doi.org/10.1016/j.indcrop.2015.08.061
Determination of mitragynine in urine matrices by bar adsorptive
microextraction
N.R. Neng, S.M. Ahmad, H. Gaspar, J.M.F. Nogueira
Talanta, 2015, 144, 105-109. IF: 3.545, Q1
http://dx.doi.org/10.1016/j.talanta.2015.05.038
Electrochemical oxidation of paraquat in neutral medium
M.A.M. Cartaxo, C.M. Borges, M.I.S. Pereira, M.H. Mendonça
Electrochim. Acta, 2015, 176, 1010–1018, IF: 4.504, Q1
http://dx.doi.org/ 10.1016/j.electacta.2015.07.099
Understanding Gas Adsorption Selectivity in IRMOF8 Using
Molecular Simulation
R.S. Pillai, M. L. Pinto, J. Pires, M. Jorge, J. R. B. Gomes
ACS Appl. Mater. Interfaces, 2015, 7, 624-637. IF: 6.723, Q1, Top
10%
http://dx.doi.org/10.1021/am506793b
Adsorption of a Textile Dye on Commercial Activated Carbon: A
Simple Experiment to Explore the Role of the Surface Chemistry
and Ionic Strength
A.Martins, N. Nunes
J. Chem. Educ., 2015, 92, 143-147, IF: 1.106, Q3
http://dx.doi.org/10.1021/ed500055v
33
Publications
Simple Analysis of Historical Lime Mortars
J. Pires
J. Chem. Educ., 2015, 92, 521–523. IF: 1.106, Q3.
http://dx.doi.org/10.1021/ed500336p
Sustainable activated Carbons prepared from a Sucrose derived
Hydrochar: Remarkable Adsorbents for Pharmaceutical
Compounds
A.S. Mestre, E. Tyszko, M.A. Andrade, M. Galhetas, C. Freire, A.P.
Carvalho
RSC Adv., 2015, 5, 19696-19707, IF: 3.84, Q1
http://dx.doi.org/10.1039/C4RA14495C
Effect of the irradiation wavelength on the performance of
nanoporous carbon as an additive of TiO2
M. A. Andrade, A. S. Mestre, R. J. Carmona, A.P. Carvalho, C. O.
Ania
Appl. Catal. A : Gen, 2015, 507, 91–98. IF: 3.942, Q1
http://dx.doi.org/ 10.1016/j.apcata.2015.09.036
The influence of the textural properties of activated carbons on
acetaminophen adsorption at different temperatures
M. Galhetas, M.A. Andrade, A.S. Mestre, E. Kangni-foli, M.L. Pinto,
A.P. Carvalho
Phys. Chem. Chem. Phys., 2015, 17, 12340-12349. IF: 4.493, Q1,
Top 10%
http://dx.doi.org/ 10.1039/c4cp05273k.
Sucrose-derived activated carbons: electron transfer properties
and application as oxygen reduction electrocatalyst
M. Nunes, I. Rocha, D. Fernandes, A.S. Mestre, A.P. Carvalho,
M.F.R. Pereira, C. Freire
RCS Advances, 2015, 5, 102919–102931: IF: 3.840, Q1
http://dx.doi.org/10.1039/c5ra20874b
New antitumor 6-chloropurine nucleosides inducing apoptosis
and G2/M cell cycle arrest
S. Schwarz, B. Siewert, , R. Csuk, A. P. Rauter
Eur. J. Med. Chem., 2015, 90, 595-602. IF: 3.447, Q1
http://dx.doi.org/10.1016/j.ejmech.2014.11.019
Self-organizing Behaviour of Glycosteroidal Bolaphiles: Insights
into Lipidic Microsegregation
R. Xu, F. A. li-Rachedi, N. M. Xavier, S. Chambert, F. Ferkous, Y.
Queneau, S. J. Cowling, E. J. Davis, J. W. Goodby
Org. Biomol. Chem., 2015, 13, 783–792. IF: 3.562, Q1
http://dx.doi.org/10.1039/C4OB02191F
Conformational Plasticity in Glycomimetics: Fluorocarbamethyl-Lidopyranosides Mimic the Intrinsic Dynamic Behaviour of Natural
Idose Rings
L. Unione, B. X. Xu, D. Diaz, S. Martin Santamaria, A. Poveda, J.
Sardinha, A. P. Rauter, Y. Blériot, Y. M. Zhang, F. J. Cañada, M.
Sollogoub, J. Jiménez-Barbero
Chem. Eur. J., 2015, 29, 10513-10521. IF: 5.731, Q1, Top 10%
http://dx.doi.org/10.1002/chem.201501249
Ionic liquids as solubility/permeation enhancers for topical
formulations: Skin permeation and cytotoxicity characterization
T. Santos de Almeida, A. Júlio, R. Caparica, C. Rosado, A. S.
Fernandes, N. Saraiva, M. Ribeiro, M. E. Araújo, A. R. Baby, J. G.
Costa, J. Portugal Mota
Toxicol. Lett., S293, 2015. IF: 3.261, Q1
http://dx.doi.org/10.1016/j.toxlet.2015.08.841
Fatty acid profile of different species of algae of the Cystoseira
genus: a nutraceutical analysis
C. Vizetto-Duarte, H. Pereira, C. Bruno de Sousa, A. P. Rauter, F.
Alberício, L. Custódio, L. Barreira, J. Varela
Nat Prod Res, 2015, 2: 1-7. IF: 0.919, Q3
http://dx.doi.org/10.1080/14786419.2014.992343
Botryococcus braunii and Nannochloropsis oculata extracts
inhibit cholinesterases and protect human dopaminergic SH-SY5Y
cells from H2O2-induced cytotoxicity
L. Custódio, F. H. Pereira, M. J. Rodrigues, L. Barreira, A. P. Rauter,
F.Alberício, J. Varela
J. Appl. Phycology, 2015, 27 (2), 839-848. IF: 2.559, Q1
http://dx.doi.org/10.1007/s10811-014-0369-4
Design, synthesis and bioevaluation of tacrine hybrids with
cinnamate and cinnamylidene acetate derivatives as potential
anti-Alzheimer drugs
C.Quintanova, R.S. Keri, S.M. Marques, M.G. Fernandes, S.M.
Cardoso, M.L. Serralheiro, M.A. Santos MedChemComm, 2015
Advance Article. IF: 2.495, Q1
http://dx.doi.org/ 10.1039/C5MD00236B
Transthyretin Amyloidosis: Chaperone Concentration Changes
and Increased Proteolysis in the Pathway to Disease
G. da Costa, C. Ribeiro-Silva, R. Ribeiro, S. Gilberto, R.A. Gomes, A.
Ferreira, É. Mateus, E. Barroso, A.V. Coelho, A.P. Freire, C. Cordeiro
PLoS One, 2015 Jul 6; 10(7):e0125392. IF: 3.234, Q1, Top 10%
http://dx.doi.org/ 10.1371/journal.pone.0125392
Re(I) and Tc(I) Complexes for Targeting Nitric Oxide Synthase:
Influence of the Chelator in the Affinity for the Enzyme
B.L. Oliveira, M. Morais, F. Mendes, I.S. Moreira, C. Cordeiro, P.A.
Fernandes, M.J. Ramos, R. Alberto, I. Santos, J. D. Correia
Chem Biol Drug Des. 2015 Apr 20. IF: 2.845, Q2
http://dx.doi.org/ 10.1111/cbdd.12575
Reversible lysine modification on proteins by using functionalized
boronic acids
P.M. Cal, R.F.Frade, C. Cordeiro, P.M. Gois
Chem. Eur. J., 2015 May 26; 21(22):8182-7. IF: 5.731, Q1
http://dx.doi.org/ 10.1002/chem.201500127
Constant-pH MD simulations of DMPA/DMPC lipid bilayers
H. A. F., Santos , D. Vila-Viçosa, V. H. Teixeira, A. M. Baptista, M.
Machuqueiro
J. Chem. Theory Comput., 2015, 11, 5973-5979. IF: 5.498, Q1, Top
5%
Constant-pH molecular dynamics study of kyotorphin in an
explicit bilayer
P. R. Magalhães, M. Machuqueiro, A. M. Baptista
Biophys. J., 2015, 108, 2282–2290. IF: 3.972, Q1
http://dx.doi.org/10.1016/j.bpj.2015.03.052
Constant-pH MD simulations of an oleic acid bilayer
D. Vila-Viçosa, V. H. Teixeira, A. M. Baptista, M. Machuqueiro
J.Chem.Theory Comput.,2015, 11, 2367, IF: 5.498, Q1, Top 5%
94
Publications
Raising awareness of new psychoactive substances: chemical
analysis and in vitro toxicity screening of “legal high” packages
contaning synthetic cathinones
A.M. Araújo, M. J. Valente, M. Carvalho, D. D. Silva, H. Gaspar, F.
Carvalho, M. L. Bastos, P. G. Pinho
Arch. Toxicol., 2015, 89, 757–771. IF: 5.980, Q1
http://dx.doi.org/10.1007/s00204-014-1278-7
Preference for sulfoxide S- or O-bonding to 3d transition metals –
DFT insights
B.P. Cardoso, B. Royo, M. J. Calhorda
J. Organomet. Chem., 2015,792, 167-176. IF: 2.173, Q1
http://dx.doi.org/10.1016/j.jorganchem.2015.04.022
Trends in the Hydrogen Activation and Storage by Adsorbed 3D
Transition Metal Atoms onto Graphene and Nanotube Surfaces: A
DFT Study and Molecular Orbital Analysis
H. Valencia, A. Gil, G. Frapper
J. Phys. Chem. C , 2015, 119(10), 5506. IF: 4.772, Q1
http://dx.doi.org/ 10.1021/jp512920f
The antimicrobial activity of heterotrophic bacteria isolated from
the marine sponge Erylus deficiens (Astrophorida, Geodiidae)
A.P. Graça , F. Viana, J. Bondoso, M. I. Correia, L. Gomes, M.
Humanes, A. Reis, J. R. Xavier, H. Gaspar, O. M. Lage
Front Microbiol., 2015, 6, article 389, 1–14. IF: 3.989, Q1
http://dx.doi.org/10.3389/fmicb.2015.00389
Spin transition in arrays of gold nanoparticles and spin crossover
molecules
J. Devid, P. N. Martinho, M. V. Kamalakar, Ú. Prendergast, J-F.
Dayen, V. Meded, T. Lemma, R. González-Prieto, F. Evers, T. E.
Keyes, M. Ruben, B. Doudin
ACS Nano, 2015, 9, 4496–4507. IF: 12.881, Q1, Top 1%
http://dx.doi.org/ 10.1021/acsnano.5b01103
How the Intercalation of Phenanthroline Affects the Structure,
Energetics and Bond Properties of DNA Base Pairs. Theoretical
Study Applied to Adenine-Thymine and Guanine-Cytosine
Tetramers
A.Gil, V. Branchadell, M.J. Calhorda
J. Chem. Theory Comput., 2015, 11, 2714. IF: 5.498, Q1, Top 5%
http://dx.doi.org/10.1021/ct5006104
Fe(III) SalEen derived SchIff base complexes as potential contrast
agents
B. P. Cardoso, A. I Vicente, J. B. J Ward, P. J. Sebastião, F. V. Chávez,
S. Barroso, A. Carvalho, S. J. Keely, P. N.Martinho, M. J. Calhorda
Inorg. Chim. Acta, 2015, 432, 258–266. IF: 2.046, Q2
Catalytic activity of Mo(II) complexes in homogeneous and
heterogeneous conditions
M. V. Dias, M. S. Saraiva, P. Ferreira, and M. J. Calhorda
Organometallics, 2015, 34, 1465–1478. IF: 4.126, Q1, Top 10%
http://dx.doi.org/10.1021/om501068q
Comparing spectroscopic and electrochemical properties of
complexes of type [Cp’M(η3-C3H5)(CO)2] (Cp’ = Cp, Ind, Flu;
M=Mo, W): a complementary experimental and DFT study
S. Gonçalves, L. F. Veiros, C. A. Gamelas, C. Cabrita, M. J. Calhorda,
C. F.G.C. Geraldes, J. Green, E. Packham, M. G. B. Drew, V. Félix, A.
G. Santos, C. C. Romão
J. Organomet. Chem., 2015, 792,154-166. IF: 2.173, Q1
http://dx.doi.org//10.1016/j.jorganchem.2015.04.001
Luminescent Di- and Trinuclear Boron Complexes Based on
Aromatic Iminopyrrolyl Spacer Ligands: Synthesis,
Characterization and Application in OLEDs
D. Suresh, C. S. B. Gomes, P. S. Lopes, C. A. Figueira, B. Ferreira, P.
T. Gomes, R. E. Di Paolo, A. L. Maçanita, M. T. Duarte, A. Charas, J.
Morgado, D. Vila-Viçosa, M. J. Calhorda
Chem. Eur. J., 2015, 21, 9133–9149. IF: 5.731, Q1, Top 10%
http://dx.doi.org/10.1002/chem.201500109
Synthesis and Reactivity of Taddol-Based Chiral Fe(II) PNP Pincer
Complexes -Solution Equilibria between ĸ2 P,N- and ĸ3 P,N,PBound PNP Pincer Ligands
C. Holzhacker, B. Stöger, M. D. Carvalho, L. P. Ferreira,
E.Pittenauer, G. Allmaier, L. F. Veiros, S. Realista, A. Gil, M. J.
Calhorda, D. Müller, K. Kirchner
Dalton Trans., 2015, 44, 13071–13086. IF: 4.197, Q1
http://dx.doi.org/10.1039/c5dt00832h
New Strategy to prevent adhesion of Biofouling to Coatings
E. R. Silva, O. Ferreira, J. C.M. Bordado
J. Adhesion Society of Japan, 2015, 51, 239-240. IF: 1.417
http://doi.org/10.11618/adhesion.51.239
Friction reduction on recent non-releasing biocidal coatings by a
newly designed friction test rig
A.Tulcidas, R.Bayon, A.Igartua, J. M.Bordado, S. M.Olsen, E. R. Silva
Tribol Int, 2015, 91 140-150. IF: 1.936, Q1
http://dx.doi.org/10.1016/j.triboint.2015.06.017
Pore size matters! Helical heterogeneous catalysts in olefin
oxidation
M.S. Saraiva, C.I. Fernandes, T.G. Nunes, M.J. Calhorda, C.D. Nunes
Appl. Catal. A, 180, 2015, 130–140. IF: 3.942, Q1
Molybdenum(II) catalyst precursors in olefin oxidation reactions
C.D. Nunes, M. J. Calhorda
Inorg. Chim. Acta 431, 2015, 122–131. IF: 2.046, Q2
Improved potentiometric and optic sensitivity of polyaniline film
to dissolved oxygen by incorporating iron-porphyrin
M. Li, I. M. Ornelas, W. Liu, Y. Niu, J. P. Correia, A. S. Viana, G. Jin
Electroanal, 2015, 27, 1-10. IF: 2.138, Q2
http://dx.doi.org/10.1002/elan.201400678
Biotechnologically obtained nanocomposites: A practical
application for Photodegradation of Safranin-T under UV-Vis and
solar light
J.P. Costa, A.V. Girão, O.C. Monteiro, T. Trindade, M.C. Costa
J. Environ. Sci. Health, Part A, 2015, 50 (10), 996-1010, IF: 1.164, Q3
http://dx.doi.org/ 10.1080/10934529.2015.1038155
Anchoring of gold nanoparticles on graphene oxide and
noncovalent interactions with porphyrinoids
S. M. Andrade, C. J. Bueno-Alejo; V. V. Serra, J. M.M. Rodrigues,
M. G.P.M.S. Neves, A. S. Viana, S. M.B. Costa
ChemNanoMat, 2015, 1, 7, 502-510.
http://dx.doi.org/10.1002/cnma.201500133
95
Publications
Recognition of bio-relevant dicarboxylate anions by an
azacalix[2]arene[2]triazine derivative decorated with urea
moieties
M. Santos, S. Carvalho, I. Marques, C. Moiteiro, V. Félix
Org. Biomol. Chem., 2015, 13, 3070-3085. IF: 3.562, Q1
http://dx.doi.org/ 10.1039/c4ob02283a
Nematotoxic and phytotoxic activity of Satureja Montana and
Ruta graveolens essential oils on Pinus pinaster shoot cultures an
P. pinaster with Bursaphelenchus xylophilus in vitro co-cultures.
J. M. S. Faria, I. Sena, C. Moiteiro, R. N. Bennett, M. Mota, C.
Figueiredo
Ind. Crop. Prod., 2015, 77, 59-65. IF: 2.837, Q1
http://dx.doi.org/ 10.1016/j.indcrop.2015.08.045
Assessment and comparison of the properties of biodiesel
synthesized from three different wet microalgae biomass
K. N. Gangadhar, H. Pereira, H. P. Diogo, R. M. Borges dos Santos,
B. L. A. P. Devi, R. B. N. Prasad, L. Custódio, F. X. Malcata, J. Varela,
L. Barreira
J. Appl. Phycol., 2015, 1-8, IF: 2.559, Q1
http://dx.doi.org/10.1007/s10811-015-0683-5
Superoxide dismutase enzymosomes: carrier capacity
optimization, in vivo behaviour and therapeutic activity
M.L. Corvo, H.S. Marinho, P. Marcelino, R. Lopes, C.A. Vale, C.
Marques, L.C.D. Martins, P. Laverman, G. Storm, M.B.F.Martins
Pharmacol Res, 2015, 32, 91-102. IF: 3.420; Q1, Top 10%
http://dx.doi.org/ 10.1007/s11095-014-1447-7
Larvicidal Activity Against Aedes aegypti of Foeniculum vulgare
Essential Oils from Portugal and Cape Verde
D. K. Rocha, O. Matos, M. T. Nóvoa, A. C. Figueiredo, M. Delgado,
C. Moiteiro
Nat. Prod. Commun., 2015,10, 677-682. IF: 0.906, Q2
PMID:25973508
Development of tertiary thioamide derivatives to recover
palladium(II) from simulated complex chloride solutions
O. Ortet, A.P. Paiva
Hydrometallurgy, 2015, 151, 33–51. IF: 1.933, Q1, Top 10%
http://dx.doi.org/ 10.1016/j.hydromet.2014.11.001
Thermochemistry of 1-alkylimidazoles
J. Vitorino, F. Agapito. C. E. S. Bernardes, M. E. Minas da Piedade
J. Chem. Thermodyn., 2015, 80, 59-64. IF: 2.679, Q1
Stir-bar Sorptive Extraction: 15 years making sample preparation
more environment-friendly
J.M.F. Nogueira
Trends Anal Chem, 2015, 71, 214-223. IF: 6.472, Q1, Top 10%
http://dx.doi.org/10.1016/j.trac.2015.05.002
Size Matters: An Experimental and Computational Study of the
Influence of Particle Size on the Lattice Energy of NaCl
S. Range, C. E. S. Bernardes, R. G. Simões, M. Epple, M. E. Minas da
Piedade
J. Phys. Chem. C, 2015, 119, 4387-4396. IF: 4.772, Q1, Top 10%
http://dx.doi.org/10.1021/jp5124772
Gas Phase Affinity Scales for Typical Ionic Liquid Moieties by
Cooks Kinetic Method
J. Vitorino, J. P. Leal, M. E. Minas da Piedade
ChemPhysChem 2015, 16, 1969-1977. IF: 3.419, Q1
http://dx.doi.org/10.1002/cphc.201500101
Benchmark Thermodynamic Properties of Methylanisoles:
Experimental and Theoretical Study
V. N. Emel ý anenko, K. V. Zaitseva, F. Agapito, J. A. Martinho
Simões, S. P. Verevkin
The Thermochemistry of Cubane 50 Years After Its Synthesis: A
High-Level Theoretical Study of Cubane and Its Derivatives
F.Agapito, R.C.Santos, R.M.Borges dos Santos, J.A.Martinho Simões
J. Phys. Chem. A, 2015, 119, 2998-3007. IF: 2.693, Q2
http://dx.doi.org/10.1021/jp511756v
Evaluation of the OPLS-AA Force Field for the Study of Structural
and Energetic Aspects of Molecular Organic Crystals
C. E. S. Bernardes, A. Joseph
J. Phys. Chem. A, 2015, 119. 3023-3034. IF: 2.693, Q2
http://dx.doi.org/10.1021/jp512349r
Benchmark Thermochemistry of Methylbenzonitriles:
Experimental and Theoretical Study
K.V. Zaitseva, V.N. Emel'yanenko, F. Agapito, A.A. Pimerzin, M.A.
Varfolomeev, S.P. Verevkin
Application of Bar Adsorptive Microextraction-Large-Volume
Injection-Gas Chromatography-Mass Spectrometric Method for
the Determination of Trace Levels of Agrochemicals in Real
Matrices
J.R. Bernarda, S.M. Ahmad, C. Almeida, N.R. Neng, J.M.F. Nogueira
J. Braz. Chem. Soc., 2015, 00(00), 1-9. IF: 1.13, Q2
http://dx.doi.org/10.5935/0103-5053.20150202
Biological Activities and Chemical Composition of Methanolic
Extracts of Selected Autochthonous Microalgae Strains from the
Red Sea
H. Pereira, L. Custódio, M.J. Rodrigues, C.B. de Sousa, M. Oliveira,
L. Barreira, N.R. Neng, J.M.F. Nogueira, S.A. Alrokayan, F.
Mouffouk, K.M. Abu-Salah, R. Ben-Hamadou, J. Varela
Mar Drugs, 2015, 13(6), 3531-3549. IF: 2.853, Q2
http://dx.doi.org/10.3390/md13063531
Determination of Steroid Sex Hormones in Real Matrices by Bar
Adsorptive Microextraction (BAμE)
C. Almeida, J.M.F. Nogueira
Talanta, 2015, 136, 145-154. IF: 3.545, Q1
http://dx.doi.org/10.1016/j.talanta.2014.11.013
Novel insights for permeant lead structures through in vitro skin
diffusion assays of Prunus lusitanica L., the Portugal Laurel
M.C. Costa, P. Duarte, N.R. Neng, J.M.F. Nogueira, F. Costa, C.
Rosado
J. Mol. Struct., 2015, 1079, 327-336. IF: 1.602, Q3
http://dx.doi.org/10.1016/j.molstruc.2014.08.027
Liquid-Liquid Extraction of Palladium(II) from Chloride Media
by N,N’–Dimethyl-N,N’-Dicyclohexylthiodiglycolamide
O. Ortet, A.P. Paiva
Separation and Purification Technology,2015, 156, 2, 363–368.IF:
3.091, Q1
http://dx.doi.org/10.1016/j.seppur.2015.10.023
96
Publications
Palladium(II) Recovery from Hydrochloric Acid Solutions by N,N’dimethyl-N,N’-dibutylthiodiglycolamide
Osvaldo Ortet, Mário E. Martins, Ana Paula Paiva
Metals, 2015, 5, 2303-2315. IF: 0.883, Q2
doi: 10.3390/met5042303
Alkaline hydrolysis of tertiary N-(2-pyridyl)carbamates.
Contradictory evidence between nucleophilic and general base
catalysis
D. Silva, F. Norberto, S. Santos, P. Hervés
React Kinet Mech Cat 2015, 115, 421–430. IF: 1.17, Q3
http://dx.doi.org/ 10.1007/s11144-015-0867-7
Phenolic composition, antioxidant potential and in vitro
inhibitory activity of leaves and acorns of Quercus suber on key
enzymes relevant for hyperglycemia and Alzheimer’s disease
L. Custódio, J. Patarra, F. Alberício, N.R. Neng, J.M.F. Nogueira, A.
Romano
Ind. Crop. Prod., 2015, 64, 45-51. IF: 2.837, Q1
doi: 10.1016/j.indcrop.2014.11.001
Thermophysical properties of glycols and glymes
P. J. Carvalho, C. H. G. Fonseca, M.L.C.J. Moita, A.F.S. Santos, J.A.P.
Coutinho
J. Chem. Eng. Data 2015, 60, 3721−3737. IF: 2.037, Q2
http://pubs.acs.org/doi/abs/10.1021/acs.jced.5b00662
Thermophysical properties of 1-butyl-1-methyl-pyrrolidinium
dicyanamide + H2O mixtures
M.C. Cumicheo, L.C.S. Nobre, A.F. Santos, I.M.S. Lampreia, M.S.C.S.
Santos, F.J.V. Santos, H. Segura and C.A. Nieto de Castro
J. Chem. Eng. Data 2015, 60, 3766−3775. IF: 2.037, Q2
http://pubs.acs.org/abs/10.1021/acs.jced.5b00944
In vitro antioxidant and inhibitory activity of water decoctions of
carob tree (Ceratonia siliqua L.) on cholinesterases, alphaamylase and alpha-glucosidase
L. Custódio, J. Patarra, F. Alberício, N.R. Neng, J.M.F. Nogueira, A.
Romano
Natural Product Research, 2015, 29, 2155-2159. IF: 0.919, Q3
doi: 10.1080/14786419.2014.996147
Books and Chapters books
Electrochemical behaviour of a Cobalt-Chromium-Molybdenum
dental alloy in artificial salivas Influence of phosphate ions and
mucin components
A.Gomes, S.R. de Aguiar, M. Nicolai, M. Almeida
Bio-Med Mater Eng, 2015, 25, 53–66. IF: 1.091, Q3
http://dx.doi.org/ 10.3233/BME-141241.
Mild and fast Friedel-Crafts acylation over zeolites
A.F. Brigas; F. Martins; R. Elvas-Leitão; B.S. Santos; A. Martins; N.
Nunes
In Comprehensive Organic Chemistry Experiments for the
Laboratory Classroom Book” Chapter 134, pp.590-593, Carlos A M
Afonso, Nuno R Candeias, Dulce Pereira Simão, Alexandre F
Trindade, Jaime A S Coelho, Bin Tan, Robert Franzé (Editors)
(to be published in 26th July 2016).
Non-destructive analysis of Portuguese "dinheiros" using XRFovercoming patina constraints
S. Pessanha, M.Costa, M.I.Oliveira, M. E. M. Jorge, M.L. Carvalho
Appl Phys A-Mater, 119, 1173-1178. IF: 1.704, Q2
http://dx.doi.org/ 10.1007/s00339-015-9087-2
Hyperthermia studies of ferrite nanoparticles synthesized in the
presence of cotton
S.G. Mendo, A.F. Alves, L. P. Ferreira, M. M. Cruz, M. H. Mendonça,
M. Godinho and M. Deus Carvalho
New J. Chem. 2015, 397, 182 – 7193. IF: 3.086, Q1
http://dx.doi.org/ 10.1039/C5NJ00009B
Use of quantitative structure–property relationships to study the
solvation process of 18-crown-6
M. Reis, Nelson Nunes, R. Elvas-Leitão, F. Martins
Thermochim Acta, 2015, 604, 140-144. IF: 2.184, Q2
http://dx.doi.org/ 10.1016/j.tca.2015.02.005
Thermodynamic Study of Aqueous 2-(Isopropylamino)ethanol. A
Sterically Hindered New Amine Absorbent for CO2 capture
I.M.S. Lampreia, A.F.S. Santos, M.L.C.J. Moita, L.C.S. Nobre
J. Chem. Thermodyn.2015, 81, 167-176. IF: 2.679, Q1
http://dx.doi.org/ 10.1016/j.jct.2014.10.004
Activity Coefficients in the Surface Phase of Liquid Mixtures
M.S.C.S. Santos, J.C.R. Reis
ChemPhysChem 2015, 16, 470-475. IF: 3.419, Q1
http://dx.doi.org/ 10.1002/cphc.201402624R1
Energetic characterization of the system (water + 1propoxypropan-2-ol) at T= 298.15 K
M. L. C.J. Moita, M. C. Reis, A. F.S. Santos, Isabel M.S. Lampreia
J. Chem. Thermodyn. 2015, 91, 172-176. IF: 2.423, Q1
http://dx.doi.org/ 10.1016/j.jct.2015.07.044
Synthesis and Characterization of N-cyclohexyl-Nmethyloctanamide,
Ana Paula Paiva, Osvaldo Ortet
C.A.M. Afonso, N.R. Candeias, D.P. Simão, A.F. Trindade, J.A.S.
Coelho, B. Tan, R. Franzén (Editors), Royal Society of Chemistry,
2016 (in press)
Synthesis and Characterization of N,N’-Dicyclohexyl-N,N’Dimethyl-Propan-1,3-Diamide
Ana Paula Paiva, Osvaldo Ortet
C.A.M. Afonso, N.R. Candeias, D.P. Simão, A.F. Trindade, J.A.S.
Coelho, B. Tan, R. Franzén (Editors), Royal Society of Chemistry,
2016 (in press)
Non-coding RNAs as critical players in regulatory accuracy, redox
signaling and immune cell functions.
A.Q. Gomes, C. Real, F. Antunes, H.S. Marinho, S. Nolasco, H. and
Soares
In Current Developments in Biotechnology and Bioengineering,
Book 9: Biotechnology in Human and Animal Health, Chapter 10,
2016. Vanete Thomaz-Soccol, Rodrigo R. Resende, Ashok Pandey
(Editors), Elsevier (in press).
Nanomedicines as a strategy for the therapeutic use of
superoxide dismutases
M.L. Corvo, H.S. Marinho, M.B.F. Martins
In Superoxide Dismutase (SOD): Sources, Therapeutic Uses and
Health Benefits, Chapter 4, 2016. Nancy H. Phillips, (Editors), NY:
Nova Publishers. (in press)
97
Publications
Emergent antifouling coatings for marine applications: non-toxic
strategies
Elisabete R. Silva, Olga Ferreira, João M.C. Bordado, Maria José
Calhorda
In Handbook of Modern Coating Technologies, Elsevier, Vol. 5,
2016
Biomembrane Organization and Function: The Decisive Role of
Ordered Lipid Domains
J. T. Marquês, C. A. C. Antunes, F. C. Santos, R. F. M. de Almeida
In A. Iglic, C. Kulkarni, M. Rappolt, eds.: Advances in Planar Lipid
Bilayers and Liposomes, Vol 22, ADPLAN, UK: Academic Press,
2015, pp 65-96
Current aspects of breast cancer therapy and diagnosis based on
a nanocarrier approach
F.S. Praça, H.S. Marinho, M.B.F. Martins, R.S. Gaspar, M.L. Corvo,
W. Medina, W.
In Nanostructures for Cancer Therapy, Chapter 27, 2017Alexandru
Mihai Grumezescu and Anton Ficai (Editors), Elsevier (in press)
Hierarchical Zeolites: Preparation, Properties and Catalytic
Applications
A.P. Carvalho, N. Nunes, A. Martins
in “Comprehensive Guide for Mesoporous Materials, Vol. 3:
Properties and Development”, Ed. Mahmood Aliofkhazraei, pp.
147-211, Nova Science Publishers, Inc. 2015, ISBN: 978-1-63463318-5 (book chapter)
Adsorption of organic compounds in aqueous solution with
activated carbons
Ana P. Carvalho
In Aplicaciones de adsorbentes y catalisadores en processos
medioambientales y energéticos, Universidade Internacional de
Andalucia, 2016
Glycal Transformation into 2-Deoxy Glycosides
C. Dias, A. Martins, M. S. Santos, A. P. Rauter, M. Malik
In Carbohydrate Chemistry, Proven Synthetic Methods, Vol. 3, Cap.
8, Ed. René Roy, Sébastien Vidal, pp.57-72, CRC Press 2015,ISBN:
978-1-4665-8357-3; eBook ISBN: 978-1-4665-8358-0 (book
chapter)
doi: 10.1201/b18400-10
Synthesis and structural characterization of an antitubercular
isoniazid hydrazone.
S. Santos, F. Martins.
Laboratory Classroom, Chapter 71, 314-318, 2016. C.A.M. Afonso,
N.R Candeias, D. P. Simão, A.F. Trindade, J.A. S. Coelho, B.Tan, R.
Franzén (Editors), Royal Society of Chemistry
(to be published July 26)
Metabolism of superoxide radical and hydrogen peroxide in
mitochondria
H.S. Marinho, F. Antunes
In Mitochondria in Liver Disease, Ed. Derick Han and Neil
Kaplowitz, Chapter 1, pp. 1- 28. Boca Raton: CRC Press 2015.
Carbohydrates and Glycomimetics in Alzheimer’s Disease
Therapeutics and Diagnosis
C. Dias, A. P. Rauter
In: Carbohydrates in Drug Design, Chapter 8, Ed. J. Jiménez
Barbero,The Royal Society of Chemistry, Cambridge, 2015
ISBN: 978-1-84973-939-9
http://dx.doi.org/ 10.1039/9781849739993-00180
Cyclic Acetals for Regioselective Protection in Carbohydrate
Synthesis: A Comparative Experiment
A.M. Matos, R. Nunes, C. Dias, and A. P. Rauter
Laboratory Classroom. C. Afonso (Editors), Royal Society of
Chemistry, 2016, in press.
Glycal Transformation into Surfactant 2-Deoxy Glycosides
C. Dias, and A. P. Rauter
In: Comprehensive Organic Chemistry Experiments for the
Laboratory Classroom. C. Afonso (Editors), Royal Society of
Chemistry, 2016, in press.
Microextração Sortiva em Barra de Agitação
J.M.F. Nogueira
Chapter 17, book entitled Preparo de Amostras para Análise de
Compostos Orgânicos (Eds. K. Borges, E. Figueiredo and M.E.
Queiroz)
Publisher LTC, Brazil, 2015 Microextração Sortiva em Barra de
Agitação
Preparation of a tosylhydrazidyl N-glycosyl derivative of Dglucuronic acid via tosylhydrazone formation and intramolecular
ring closure
N. M. Xavier
Laboratory Classroom
C. A. M. Afonso, N. R. Candeias, D. P. Simão, A. F. Trindade, J. A. S.
Coelho, B. Tan, R. Franzén (Editors), 2016, Chapter 72, Royal
Society of Chemistry, in press.
Domino reactions Toward Carbohydrtae Frameworks for
Applications Across Biology and Medicine
V. Cachatra, A. P. Rauter
In: Domino and Intramolecular rearrangement Reactions as
Advanced Synthetic Methods in Glycoscience, Z. Witczak, R. Bielski
(Editors), Wiley, Chapter 4, 2016, in press.
98
99
100
Equipment
FTICR-MS
Stopped-Flow with absorption
and fluorescence detection
Imaging Ellipsometer
Multimode Atomic Force Microscope
101
Equipment
Steady-state & time-resolved
spectrofluorimeter with polarization modes
and double grating monochromators
FTIR
Scanning Electrochemical Microscopy
NMR spectrometer*
*DQB equipment
Surface area and pore size
analyzer
102
Equipment
Probe Beam Deflection
Conventional Ellipsometer
Electrochemical Quartz
Crystal Microbalance
Surface Plasmon Resonance
Contact Angle
Goniometer
Photocurrent Spectroscopy
103
104
Booklet data collection & organization
CQB Executive Committees 2014/15 and 2015/2016
Ana P. Carvalho
Amélia P. Rauter
Carla D. Nunes
Rodrigo F. M. de Almeida
Susana Marinho
Ana Mourato, PhD, Science manager
We thank Fundação para a Ciência e Tecnologia
for funding UID/MULTI/00612
CQB 2016

Booklet - CQB - Universidade de Lisboa

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