XXXVII Escola Latino-americana de F´ısica

Transcrição

XXXVII Escola Latino-americana de F´ısica

XXXVII Escola Latino-americana de Fı́sica
Intermolecular Forces and Energy
in
Macromolecular Biological System
17 a 21 de Julho de 2006
Universidade Estadual Paulista/UNESP - IBILCE - São José do Rio Preto - SP - Brasil
The present edition of the Latin American School of Physics is dedicated to the memory of
Prof. José Leite Lopes one of its idealizers.
A presente edição da Escola Latino Americana de Fı́sica é dedicada à memória do
Prof. José Leite Lopes um de seus idealizadores.
? 28/10/1918
† 12/06/2006
Caderno de Resumos XXVIII ELaF - IBILCE 2006
Unesp-IBILCE - São José do Rio Preto - SP - Brasil
ELAF é um evento cientı́fico realizado desde 1959. A escola foi idealizada pelos professores Marcos
Moshinsky (México), José Leite Lopes (Brasil) e Juan José Gambiagi (Argentina). A ELAF foi criada
com o objetivo de propiciar contato de pesquisadores latino americanos com pesquisadores de reconhecida competência internacional, sejma eles latino americanos ou não, no assunto que os organizadores
da ELAF escolherem como tema principa.
A XXXVII Escola Latino-americana de Fı́sica (ELAF2006) será realizada em São José do Rio Preto,
SP, Brasil no perı́odo de 17 a 21 de Julho de 2006. Nesta edição o tema da ELAF é “Intermolecular
Forces and Energy in Biological Macromolecular Systems”.
Comitê Organizador Local
ELAF is a scientific event held since 1959, and was founded by the Professors Marcos Moshinsky
(México), José Leite Lopes (Brazil) and Juan José Giambiagi (Argentina). It was created with the aim
of involving participants from Latin American countries by inviting as lecturers the most distinguished
experts in the subject that the School covers according to it’s chosen theme, being them from Latin
America or not.
The XXXVII Latin American School of Physics (ELAF 2006) will take place in São José do Rio Preto,
S.P., Brazil, from 17 to 22 of July 2006. The School’s theme this year is “Intermolecular Force and
Energy in Biological Macromolecular Systems”.
Local Organizing Committee
iii
The present edition of the Latin American School of Physics is dedicated to the memory of
Prof. José Leite Lopes one of its idealizers.
A presente edição da Escola Latino Americana de Fı́sica é dedicada à memória do
Prof. José Leite Lopes um de seus idealizadores.
† 12/06/2006
? 28/10/1918
Comitê Organizador Local
Elso Drigo Filho
IBILCE/UNESP
Márcio Francisco Colombo
IBILCE/UNESP
João Ruggiero Neto
IBILCE/UNESP
José Roberto Ruggiero
IBILCE/UNESP
Colaboradores
Leandro Cristante de Oliveira
Web-designer
Ilva Cecilia Bernardes
Secretária
Mariana Ruggiero Colombo
Secretária
Agradecimentos
UNESP - Universidade Estadual Paulista
IBILCE e Programa de Pós-graduação em Biofı́sica Molecular
CNPq - Conselho Nacional de Desenvolvimento Cientı́fico e Tecnológico
CAPES - Coordenação de Aperfeiçoamento de Pessoal de Nı́vel Superior
FAPESP - Fundação de Amparo à Pesquisa do Estado de São Paulo
UNESP/PROPe - Pró-Reitoria de Pesquisa
FAPERP - Fundação de Apoio à Pesquisa e Extensão de São José do Rio Preto
CLAF - Centro Latino-americano de Fı́sica / Rio de Janeiro
SBF - Sociedade Brasileira de Fı́sica
Editoração, Diagramação e Produção
ConvexWeb - Soluções para Eventos e Internet
www.convexweb.com.br
iv
INFORMAÇÕES GERAIS DO EVENTO
Seções Técnicas
- Os autores que apresentarão os trabalhos deverão portar os crachás de identificação.
- O tempo de apresentação será controlado pelo coordenador da sessão, não devendo haver atrasos no
cronograma.
Apresentação tipo Pôster
- Os painéis deverão ficar expostos durante todo o evento ala indicada pela organização.
- A instalação e retirada diária do painel é de inteira responsabilidade do participante.
- Os autores do pôster devem se posicionar junto ao seu trabalho, no dia da exposição, das 17h15min
às 18h30m.
- O certificado de apresentação do pôster será entregue durante a exposição de seu trabalho.
- O espaço disponı́vel para cada pôster é o padrão A0 (84 cm de largura, 120cm de comprimento).
Apresentação Oral
- As seções técnicas ocorrerão no AUD. C, nos horários constantes nesse caderno.
- Os trabalhos serão expostos, com uso de retroprojetor, durante, no máximo, 20 (vinte) minutos, com
05 (cinco) minutos para questionamentos.
- Para verificar a data de apresentação de seu trabalho consulte a listagem disponı́vel na secretaria do
evento.
- O certificado de apresentação do trabalho será entregue pelo coordenador da seção técnica logo após
a apresentação do mesmo.
Observação: Eventuais dúvidas, dirija-se a Secretaria do XXXVII ELAF.
v
SUMÁRIO
Atividades da ELAF2006 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . viii
ELAF2006 - Activities . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ix
Programa Geral - ELAF2006 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . x
Overall Programme . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xi
Conferência Plenária 01 - Resumo
Conference 01 - Abstract . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xii
Conference 02 - Abstract . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xiii
Conference 03 - Abstract . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xiv
Mini-curso MC01 - Resumo
Mini-course MC01 - Abstract . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xv
Mini-course MC02 - Abstract . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xvi
Mini-course MC03 - Abstract . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xvii
Mini-course MC04 - Abstract . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xviii
Mini-course MC05 - Abstract . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . xix
Resumos
Abstracts . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 01
Lista de Participantes
List of Participants . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25
Índice de Autores
Authors Index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30
Mapa do IBILCE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32
vii
Atividades do ELAF 2006
Sigla
Descrição
CF01
Conferência Plenária: Prof. Leite Lopes, Contribuições para a Fı́sica
Dr. José Abdala Helayel Neto (CBPF - Brasil)
CF02
Conferência Plenária: A Simple Model for Gene Therapy
Dra. Márcia Cristina Bernardes Barbosa (UFRGS - Brasil)
CF03
Conferência Plenária: Probing biometric system by optical spectroscopies
Dr. Amando Siuiti Ito (FFCLRP - USP - Brasil)
MC01
Mini-curso: Protein hydratation and its importance in functionality
Dr. Raul Grigera (IFLYSIB - UNL - Argentina)
MC02
Mini-curso: The energy landscape for folding and function
Dr. José Nelson Onuchic (ICTBP - UCSD - EUA)
MC03
Mini-curso: Intermolecular Forces
Dr. Rudi Podgornik (NIH - Bethesda - EUA)
MC04
Mini-curso: Physical Aspects of DNA
Dr. Renko de Vries (Wagenninger University - Holanda)
MC05
Mini-curso: Nonextensive Statistical Mechanics
Dr. Constantino Tsallis (CBPF - Brasil)
ST01
Apresentação trabalhos nos painéis
SL04C - Responsável: Dr. Elso Drigo Filho (IBILCE - UNESP - Brasil)
SL05C - Responsável: Dr. José Roberto Ruggiero (IBILCE - UNESP - Brasil)
ST02
Apresentação oral de trabalhos
Responsável: Dr. Fernando Luis Barroso da Silva (FFCLRP - USP - Brasil)
ST03
Apresentação oral de trabalhos
Responsável: Dr. Augusto Agostinho Neto (IBILCE - UNESP - Brasil)
viii
COQ
Coquetel de Abertura
CHU
Churrasco de Encerramento
XXXVII Latin-American School of Physics
Unesp-IBILCE - São José do Rio Preto - SP - Brazil
17 - 21 July 2006
ELAF 2006 - Activities
Sigla
Descrição
CF01
Conference: Prof. Leite Lopes, Contribuições para a Fı́sica
Dr. José Abdala Helayel Neto (CBPF - Brazil)
CF02
Conference: A Simple Model for Gene Therapy
Dra. Márcia Cristina Bernardes Barbosa (UFRGS - Brazil)
CF03
Conference: Probing biometric system by optical spectroscopies
Dr. Amando Siuiti Ito (FFCLRP - USP - Brazil)
MC01
Mini-course: Protein hydratation and its importance in functionality
Dr. Raul Grigera (IFLYSIB - UNL - Argentina)
MC02
Mini-course: The energy landscape for folding and function
Dr. José Nelson Onuchic (ICTBP - UCSD - USA)
MC03
Mini-course: Intermolecular Forces
Dr. Rudi Podgonirk (NIH - Bethesda - USA)
MC04
Mini-course: Physical Aspects of DNA
Dr. Renko de Vries (Wagenninger University - Holland)
MC05
Mini-course: Nonextensive Statistical Mechanics
Dr. Constantino Tsallis (CBPF - Brazil)
ST01
Poster session e SL05C
SL04C - Session coordinator: Dr. Elso Drigo Filho (IBILCE - UNESP - Brazil)
SL05C - Session coordinator: Dr. José Roberto Ruggiero (IBILCE - UNESP - Brazil)
ST02
Oral presentation
Session coordinator: Dr. Fernando Luis Barroso da Silva (FFCLRP - USP - Brazil)
ST03
Oral presentation
Session coordinator: Augusto Agostinho Neto (IBILCE - UNESP - Brazil)
COQ
Opening cocktail
CHU
Closing barbecue
ix
x
Abertura
MC01
Café
MC01
Almoço
MC02
Café
MC02
CF01
COQ
08h30m - 10h00m
10h00m - 10h30m
10h30m - 12h00m
12h00m - 13h30m
13h30m - 15h00m
15h00m - 15h30m
15h30m - 17h00m
17h15m - 18h30m
19h00m
de material
Inscrição e entrega
08h00m - 08h30m
07h30m - 10h30m
SEG - 17/jul/2006
17h15 - Silva, F. L. B.
17h35 - Fornés, J. A.
17h55 - Tamashiro, M. N.
17h15 - Souza, T. P.
17h35 - Feitosa, E.
17h55 - Nolasco, D.
SL04C e SL05C
ST03
MC05
Café
MC05
Almoço
CF02
Café
MC04
QUI - 20/jul/2006
ST02
MC04
Café
MC04
Almoço
MC03
Café
MC03
QUA - 19/jul/2006
ST01
MC02
Café
MC02
Almoço
MC03
Café
MC01
TER - 18/jul/2006
Programa Geral - XXXVII ELAF
CHU
Encerramento
CF03
Café
MC04
Almoço
MC05
Café
MC05
SEX - 21/jul/2006
Opening
MC01
Coffee break
MC01
Lunch
MC02
Coffee break
MC02
CF01
COQ
08h30m - 10h00m
10h00m - 10h30m
10h30m - 12h00m
12h00m - 13h30m
13h30m - 15h00m
15h00m - 15h30m
15h30m - 17h00m
17h15m - 18h30m
19h00m
bution of school kit
Inscription and distri-
08h00m - 08h30m
07h30m - 10h30m
MON - jul/17/2006
SL04C e SL05C
ST01
MC02
Coffee break
MC02
Lunch
MC03
Coffee break
MC01
TUE - jul/18/2006
17h15 - Silva, F. L. B.
17h35 - Fornés, J. A.
17h55 - Tamashiro, M. N.
17h35 - Feitosa, E.
17h55 - Nolasco, D.
ST03
MC05
Coffee break
MC05
Lunch
CF02
Coffee break
MC04
THU - jul/20/2006
17h15 - Souza, T. P.
ST02
MC04
Coffee break
MC04
Lunch
MC03
Coffee break
MC03
WED - jul/19/2006
Overall Programme - XXXVII ELAF
CHU
Enclosure
CF03
Coffee break
MC04
Lunch
MC05
Coffee break
MC05
FRI - jul/21/2006
xi
Resumo da Conferência Plenária - CF01
Conference abstract - CF01
Tı́tulo / Title: José Leite Lopes: Ideals, Ideas and Deeds
Conferencista / Lecturer: Dr. José Abdala Helayel Neto
Resumo / Abstract: The main goal of this talk is to highlight and to discuss several aspects of the
relevant and decisive rôle Prof. Leite Lopes had for the development of modern science and technology
in Brazil. His remarkable works in the period of the so-called “desenvolvimentismo” and his outstanding
contributions for the understanding and setting-up of the Electroweak Theory shall be the main stream
of the speech.
xii
Tı́tulo / Title: A Simple Model for Gene Therapy
Conferencista / Lecturer: Dra. Márcia Cristina Bernardes Barbosa
Resumo / Abstract: A plasmid expressing the β-galactosidase enzyme was used to transfect Vero
celss in order to evaluate the efficiency of a liposome-mediated transfection by circular and linear DNA.
The results obtained showed a low rate of transfection by linear DNA:liposome complexes. To explore
whether the structure of the complexes was interfering with the transfection, atomic force microscopy
(AFM) was used. It has confirmed the difference between the linear and circular condensates: whereas
the circular DNA:liposome complexes presented compact spherical or cylindrical structures of about 100800 nm, the linear DNA showed pearl necklase-like strutures, with pearls varying from 250 to 400nm.
On the basis of the theory proposed by Kuhn et al. (1999), low concentrations of cationic amphihile
were used to neutralize or reverse the DNA charge in order to improve the transfection efficiency of
the linear DNA. Using this method, we were able to obtain the expression of the transgene without
an associated toxicity observed with the linear DNA liposome delivery. !!!
xiii
Tı́tulo / Title: Probing biometric system by optical spectroscopies
Conferencista / Lecturer: Dr. Amando Siuiti Ito
Resumo / Abstract: Measurements of optical absorption, fluorescence emission, fluorescence anisotropy,
fluorescence energy transfer and related techniques provide valuable information about biomimetic
arrangements such as self-structured layers, giant vesicles and polymeric micelles. Beyond the physicochemical properties of those systems, the experiments are also informative about their interaction
with biomolecules. Many cromophores absorbing in UV-visible region have been used to probe the
biomimetic systems, either intrinsically present in biomolecules like tryptophan residues, as externally
bound to the systems of interest. We will discuss results of investigations performed with peptides containing the intrinsic probe tryptophan or the extrinsic probe orto-aminobenzoic acid in interaction with
self-structured micro-heterogeneous systems. It will be also presented the application of the recently
synthesized lipophylic probe 2-Amino-N-hexadecyl-benzamide, derived from orto-aminobenzoic acid, to
the investigation of size, electric potential, heterogeneity, phase transition and fluidity of vesicles and
micelles.
xiv
Resumo de Mini-curso - MC01
Abstract’s Mini-course - MC01
Tı́tulo / Title: Protein hydration and its importance in functionality
Conferencista / Lecturer: Dr. J. Raul Grigera
Resumo / Abstract:
1) Water structure.
2) General concepts and experimental evidences.
3) Computer simulations.
xv
Tı́tulo / Title: The energy landscape for folding and function.
Conferencista / Lecturer: Dr. José N. Onuchic
Resumo / Abstract: Globally the energy landscape of a folding protein resembles a partially rough
funnel. The local roughness of the funnel reflects transient trapping of the protein configurations in
local free energy minima. The overall funnel shape of the landscape, superimposed on this roughness,
arises because the interactions present in the native structure of natural proteins conflict with each
other much less than expected if there were no constraints of evolutionary design to achieve reliable
and relatively fast folding. The kinetics of folding is best considered as a progressive organization
of an ensemble of partially folded structures through which the protein passes through on its way to
the folded structure. The folding mechanisms for several fast folding proteins can be quantitatively
described using an energy landscape theory to set up the correspondence with simulations of protein
minimalist models. Using these simulations together with analytical theory, we can learn about good
(minimally frustrated) folding sequences and non-folding (frustrated) sequences. An important idea
that emerges from the energy landscape theory is that subtle features of the protein landscape can
profoundly affect the apparent mechanism of folding. The relationship between various characteristic
temperatures in the phase diagrams and landmarks in the folding funnel at fixed temperatures can be
used to classify different folding behaviors. Experiments on the dependence of the folding and unfolding
times, and the stability of these proteins to denaturant concentration and site-directed mutagenesis,
and on the early events of folding allow us to infer the global characteristics of the energy landscape.
In addition to need to minimize energetic frustration, the topology of the native fold also plays a
major role in the folding mechanism. Some folding motifs are easier to design than others suggesting
the possibility that evolution not only selected sequences with sufficiently small energetic frustration
but also selected more easily designable native structures. We have demonstrated for several proteins
(such as CI2 and SH3) that they are sufficiently well designed (i.e., reduced energetic frustration) that
much of the heterogeneity observed in their transition state ensemble (TSE) is determined by topology.
Topological effects go beyond the structure of the TSE. The overall structure of the on-route and
off-route (traps) intermediates for the folding of more complex proteins is also strongly influenced by
topology. Utilizing this theoretical framework, simulations of minimalist models and their connections
to more computationally-expensive all-atom simulations, we are now in the process of obtaining a
quantitative understanding of the folding problem, which allows for a direct comparison to a new
generation of folding experiments. Connections between the folding landscape and protein function
and binding will also be discussed.
xvi
Tı́tulo / Title: Molecular attractions: van der Waals, electrostatic correlations and polyelectrolyte
bridging interactions
Conferencista / Lecturer: Dr. Rudolf Podgornik
Resumo / Abstract: In my set of lectures I will address three important sources of attractive interactions in soft matter systems: the van der Waals interactions, which are due to correlated electromagnetic
field fluctuations in dielectrically inhomogeneous media, the electrostatic correlation interactions which
are due to electrostatically strongly coupled mobile counterions between charged macromolecules and
polyelectrolyte bridging interactions that are due to elastic deformation of stretched polyelectrolyte
chains between charged macromolecular interfaces. For each of the three cases of molecular attractions I will present a model system in order to illustrate the general principles. For van der Waals
interactions I will discuss their role in osmotic pressure equilibria of multilamellar lipid systems, for
electrostatic correlation interactions I will present their role in DNA collapse in multivalent salts, and
for polyelectrolyte bridging interactions I will present their role in organization of eucaryotic genome,
specifically in the interactions between nucleosomal core particles. I will take time to introduce the
general principles as well as introduce the audience to specific model systems.
xvii
Tı́tulo / Title: DNA Physics, an introduction
Conferencista / Lecturer: Dr. Renko De Vries
Resumo / Abstract: Assuming a basic knowledge of general and statistical mechanics, this minicourse introduces the basics of DNA physics. Using DNA as an example, we cover a number of topics
of general importance in soft-condensed matter physics:
• DNA as a polyelectrolyte
• DNA as a semiflexible polymer
• DNA liquid crystals
Then we discuss topics that are more specific to DNA:
• DNA condensation
• DNA supercoiling
• Stretching single DNA molecules
These topics, that involve DNA alone, can be discussed in quantitative ways using relatively simple,
coarse grained models. Throughout the lectures we will also discuss, at a more qualitative level, the
fascinating and complex interactions of DNA with proteins and protein complexes that take place in
the living cell.
xviii
Tı́tulo / Title: Nonextensive Statistical Mechanics
Conferencista / Lecturer: Dr. Constantino Tsallis
Resumo / Abstract:
1) Historical and physical motivations.
2) Entropy: some basic properties and theorems.
3) Optimization of the entropic functional, statistical mechanics, and connection with thermodynamic.
4) Calculation of the index q from first principles.
5) Nonlinear dynamical systems: low- and high- dimensions, dissipative and conservative.
6) Long-range Hamiltonian systems (magnetism, gravitation).
7) Generalized Langevin and Fokker-Planck equations; anomalous diffusion, multiplicative noise, central limit theorems.
8) Connection with scale-free networks.
10) Applications in high- and low-energy physics.
11) Applications in geophysics, astrophysics, chemistry, mathematics, engineering.
12) Applications in computational sciences, quantum computation, optimization algorithms, economics,
biology, linguistics, ecology, medicine.
BIBLIOGRAPHY:
(i) M. Gell-Mann and C. Tsallis, eds., Nonextensive Entropy-Interdisciplinary Applications (Oxford
University Press, 2004);
(ii) J.P. Boon and C. Tsallis, eds., Nonextensive Statistical Mechanics-New Trends, New perspectives,
Europhysics News 36 (6)(2005)[http://www.europhysicsnews.com/];
(iii) C. Tsallis, M. Gell-Mann and Y. Sato, Proc. Natl. Acad. Sc. (USA) 102, 15377 (2005);
(iv) L.G. Moyano, C. Tsallis and M. Gell-Mann, Europhys. Lett. 73, 813 (2006);
(v) http://tsallis.cat.cbpf.br/biblio.htm.
xix
Resumos
Abstracts
Structural Studies in Solution of
PMNL cells and mast cell degranulation than the re-
Crotoxin by Small Angle X-ray
spective non-acetylated congeners. Both forms were
Scattering
used for NMR Spectroscopy in 40% TFE in Potassium
Abrego, J. R. B1 , Viçoti, M. M., Murakami, M. T.,
Phosphate buffer, pH 6.0. Different conformations
Arni, R. K.
have been observed in the structures of the acetylated
1. Ibilce-UNESP - Rua Cristovão Colombo, 2265 - CEP
15054-000 - São José do Rio Preto - SP - Brasil
and non-acetylated peptides in 2D-1H spectum. The
3D structures of both Polybine-I forms show a short
a-helix between residues 5-8. The N-terminus is rigid
Crotoxin, a heterodimeric toxin isolated from Cro-
while the C-terminus is not structured. In relation to
talus durissus terrificus venom, displays a strong neu-
the calculated structure, of the 10 conformers selected
rotoxic and hemolytic activity.
Crotoxin comprises
to represent the final solution structure, the acety-
a basic phospholipase A2 domain and an acid non-
lated form shows higher conformation stability than
catalytic domain so called as crotapotin, forming an
the non-acetylated form. We performed molecular dy-
acid-base complex. The toxic effects of phospholi-
namic simulated, which ratified the NMR results.
pase A2 domain is 100-fold more potent in the presence of crotapotin. The conformational changes of
the heterodimeric configuration of crotoxin at differ-
Vesicle-micelle transition in the
n-alkyltrimethilammonium
ent pHs were monitored by Small Angle X-ray Scatter-
bromide/dioctadecyldimethylammonium
ing, which provides important structural data to un-
bromid/water surfactant systems
derstand the mechanism involved in its toxic effects.
Alves, F. R.1 , Feitosa, E.
The preliminary results indicates a open-close conformation of the heterodimer in function of pH and the
phospholipase A2 alone tends to form a homodimer in
solution.
We have investigated the vesicle-micelle transition in
aqueous surfactant mixtures of the micelle-forming
Solution structure of polycationic
peptide Polybine I isolated from the
surfactant series alkyl chain length alkyltrimethylam-
venom of social wasp Polubia paulista
the vesicle-forming surfactant dioctadecyldimethylam-
Aguiar, M. B.1 , Nogueira, C. E. S., Pertinhez, T. A.,
monium bromide (DODAB), by using differential scan-
Palma, M.S., de Azevedo Jr., W.F., Fadel, V.
ning calorimetry (DSC). The thermotropic phase be-
monium bromide (CnTAB, n = 12, 14, 16 and 18) with
havior of the CnTAB/DODAB in water was monitored
at varying the surfactant chain length (n) at constant
5.0 mM total surfactant concentration, and the phase
Polybine I is present in nature only in the acetylated
diagram at 25oC presented. Values of the melting
form, and it was chemically synthesized in labora-
temperature (Tm), melting enthalpy (delta H) and co-
tory with and without acetylation to observe both dis-
operataivity of the melting transition are reported as
tinct conformations. Studies revealed that the acety-
a function of the surfactant molar fraction. Overall,
lated peptides present more pronounced chemotaxis of
it was observed a strong dependence of the surfactant
1
chain length on the thermotropic phase behavior of
this kind of potential can be find, for example, in ref-
the mixed CnTAB-DODAB mixed vesicles. At 5 mM
erence [2]. However, it is possible to determine some
DODAB/water exhibits three critical transition tem-
analytical solutions dependent of a particular set of
peratures, a pre- a main- and the post-transiton Ts,
values of the parameters a, b, c and d. In order to de-
Tm and Tp, respectively, whereas CnTAB/water ex-
termine the possible solution of Schrödinger equation
hibits none of these t ransit ions. For all n, but n =
for the supersimmetric approach is used. In this way,
12, Ts and Tp vanish in presence of small amount of
the superpotential is first determined from a Ricatti
CnTAB, but not Tm that habaves differently for dif-
equation. Then, the wave functions and the eigen-
ferent n. For n = 12, Tm does not depend on the
values for energy are competed. This methodology is
surfactant molar fraction; for n = 14 and 16, however,
large applied for exact analytical problems ( see, for
Tm decreases asymptotically with the surfactant mo-
example, references [3], [4]), and for partially solved
lar fraction, and for n = 18 Tm intially increases and
ones ( see references [5], [6]). For the specific po-
then it decreaes. Since Tm is one of the most striking
tential studied in this work the ground state and the
characteristic of a vesicle structure, the results indi-
first excited state eigenvalues and eigenfunction deter-
cate that initially CnTAB is incorporated into the vesi-
mined in function of the parameters.
cle bilayer until a vesicle-micelle transition occurs at a
References:
relatively high molar fraction of CnTAB. The results
[1] Dong S and Ma Z 1998 J. Math Phys. 31 49
indicate CnTAB and DODAB mix ideally together to
[2] M. Znojil 1990 J. Math. Phys. 31
form either mixed vesicles or micelles in aqueous solu-
[3] F. Cooper, A. Khare and U. Sukhatme, Super-
tion.
symmetry in Quantum Mechanics ( World Scientific,
Singapore, 2001)
Study of Schrödinger equation for the
potential
Anjos, R. C.1 , Filho, E. D.1 , Ricotta, R. M.2
[4] E. Drigo Filho e G. R. P. Borges, 1997, Rev. Bras.
Ens. Fı́s 19, 152 ( In portuguese)
[5] P. Roy, B. Roy, and R. Roechoudhry, Phys. Lett.
A139, 1989, 427
[6] E. Drigo Filho and R. M. Ricotta, Mod. Phys.
Lett A, 1989, 2283
2. FATEC-CEETEPS-UNESP - Praça Fernando Prestes,
30 - CEP 01124-060 São Paulo, SP, Brazil
Using Morse Potential to simulate the
The anharmonic potentials has been studied in dif-
H-Bond in a sinlge pair of DNA base
ferents branches of physics. In particular, in interac-
Barboza, F. L. M.1 , Ribeiro, N. Costa, A. J.,
tive systems in the context of molecular and atomic
Filho, E. D.
physics. In several cases they permit important inferences about the physical problem under consideration
[1]. In this work, the potential is considerated. The
Schrödinger equation for this potential is not exact an-
The Morse Potential has been extensively used to sim-
alytical solved. A series developed of the solution for
ulate H-Bond in models for DNA macromolecule (see
2
for example, references [1] and [2]). In this mechanical
Structural studies of peptide
model, the quantum effects are rejected and only clas-
Polybia-MPI, isolated from the venom
sical aspects are considerated. In the potential there
of social wasp Polybia Paulista, by
are two parameters to be fixed, namenaly a and D.
Nuclear Magnetic Ressonance (NMR).
The first one is related with the width of the poten-
Bueno, R. F.1 , Fadel, V.
tial and the second with its deep. Specifically, for
this bases pair these parameters can be identify as:
a=4.45?-1 and D=0,04eV following the references [3]
and [4]. Complementary, the mass of the nucleotides
The peptide Polybia-MPI was isolated from the venom
is about 300 a.m.u.. In this work, the classical solution
of the social wasp Polybia paulista, and belongs to
for equation of motion, using the Morse Potential as
the most important group of peptides in the venoms
an interaction between two particles [5], is applied to
in the social wasps, known mastoparan. These are
study an isolate bases pair. The analitical expression
amidated tetradecapeptides responsible for histamine
for the position (X) as a function of the time (t) is de-
release from the mast cells, and are thought to cause
terminated. The graphic X x t is presented for some
the formation of ion channels in lipid membranes lead-
values of energy. The sequence of this basic study,
ing to cell lysis. Preliminary studies showed that the
more details are introduced in the system as, for in-
Polybia -MPI also present a potent action both against
stance, couple an armonic potential in each nucleotide
Gram-positive and Gram-negative bacteria. This is
in order to tramp the bases pair.
possible because the conformation of these peptides,
which is generally an amphiphilic alpha-helical. Cir-
References:
cular Dichroism spectroscopy data indicated a confor-
[1] PEYRARD, M. Using DNA to prove nonlinear lo-
mation with, approximately 40% of alpha-helix in the
calized excitations? Europhys.Lett.,v44,p271-7,1998
appropriate TFE concentration. The tridimensional
[2] Chen, Y. Z., Zhang, Y., Prohofsky, E. W., Bind-
structure is been analyzed with Homonuclear Nuclear
ing stability of a cross-linked drug: Calculation of an
Magnetic Ressonace spectroscopy.
anticancer drug cisplatin-DNA complex. Phys. Rev.,
v.E55, p.5843-8.
[3] BARDI, M., COCCO, S., PEYRARD, M. Helicoidal
model for DNA opening. Phys. Lett., v.A253, p.35869, 1999.
[4] DAUXOIS, T., PEYRARD, M., BISHOP, A. R.
Dynamics and thermodynamics of a nonlinear model
for DNA denaturation. Phys. Rev., v.E47, p.684-
Peptide membrane interaction:
conformation and lytic activity of
Polybia MP1 in anisotropic
environments.
Cabrera, M. P. S.1 , Souza, B. M., Palma, M. S.,
Ruggiero Neto, J.
95,1993.
[5] DEMARCUS, W.C., Classical motion of a Morse
oscillator. Am. J. Phys., v.46(7), p.733-4, 1978.
Polybia MP1 (MP1: IDWKKLLDAAKQIL-NH2) is a
fourteen residue mastoparan peptide, extracted from
3
the social wasp venom of Polybia paulista, that
Tk ? 18oC of neat SDS in water and up to total sur-
presents potent antimicrobial action and no hemolytic
factant concentration of 1 wt%. It was observed that
activity. Its primary sequence is highly homologous to
above Tk, the phase diagram exhibits a single, ho-
Mastoparan X and Mastoparan B, which have strong
mogeneous and isotropic phase containing PEG-SDS
hemolytic activity.
MP1 has a linear, random coil
complexes in water. Below Tk, however, there is a
secondary structure in water that folds into a helical
precipitation phase in SDS-rich region of the phase di-
conformation in anisotropic environments like trifluo-
agram, that is ascribed to the excess SDS not bound
roethanol/water mixtures, micelar sodium dodecylsul-
to the polymer that precipitates as hydrated crystals.
fate solution or in the presence of anionic or zwitte-
The precipitation region is shown in the phase dia-
rionic vesicles, as indicated by circular dichroism in-
gram at 5oC. In presence of up to 1 moleL-1 NaBr the
vestigation. MP1 has intense lytic activity, at reduced
Krafft point is raised and the region of precipitates in
concentration, in both types of vesicles of varied com-
the phase diagram increases at a given temperature,
position, as determined fluorimetrically by the leak-
since there is a competition between the anion Br- and
age induced in these vesicles. Dose-response curves
the anionic surfactant. At 25oC there is a large pre-
confirm a cooperative lytic process and indicate the
cipation region in presence of 1 moleL-1 NaBr. The
selectivity of MP1 for anionic vesicles. In zwitteri-
precipitation region decreases when the concentration
onic vesicles MP1does not penetrate in the bilayer, it
of NaBr is lowered to dessapear when the NaBr con-
rather lays on its surface, as indicated by the Trp fluo-
centration approaches zero.
rescence spectra that present neither intensity increase
nor blue shifts, which are charcteristic of Trp residue
in hydrophobic environments. MP1, like other antimicrobial peptides, presents valuable characteristics as
alternatives in antibiotic therapy.
Phase behavior of the dilute
poly(ethylene glycol)/sodium dodecyl
sulfate/water system. The effect of
NaBr
1
The Deterministic Tourist Walk in
Pattern recognition
Campiteli, M.1 , Batista, P. D., Kinouchi, O.,
Martinez, A. S.
Deterministic walks are a developing subject and new
applications are being considered. Here we propose the
Camilo, P. C. , Carosio, P. A. C., Durigan, P. T.,
use of a deterministic partially self-avoiding walk (the
Feitosa, E.
tourist walk) for pattern recognition purposes. Con-
sidering a set of points in d-dimensional space, the
tourist begins his route following the rule of going to
the nearest point not visited in the last um time steps.
The partial ternary phase diagram in the water-rich
It performs a transient trajectory of length t till he
corner was built up for the poly(ethylene glycol)
gets trapped in na attractor of period p. The algo-
(PEG)/sodium dodecyl sulfate (SDS)/water system at
rithm presents complex behavior depending on mem-
5 and 25oC, there is, below and above the Krafft point
ory and data configuration. The relation p ¿ um is the
4
only constraint. In pattern recognition context, the
and Scapharca inaequivalvis. From the linear corre-
attractors can be considered as clusters of mutually
lation between these thermodynamic parameters we
nearest points in the data set. As the memory para-
found that the enthalpy of solvation the new protein
meter increases, attractors tend to coalesce giving rise
surface exposed to water during oxygenation is -0,85
to a hierarchical general tree. One of the interesting
kcal/mol H2 O. This parameter represents the energy
features of the method is that it works with a neigh-
cost of protein hydration in bulk solutions.
borhood table instead of the dissimilarity matrix. This
leads to na invariant result for structures modified by
scales transformations.
How does a Polyelectrolyte Favor the
Binding of Charged Ligand to
Macromolecules?
Measurements of ∆H and ∆nw
Obtained by Hemoglobins Oxygenation
Carvalho, S. J.1 , Silva, F. L. B.
Capitão, R. C.1 , Colombo, M. F.
The binding of oppositely charged ligands to macroIn this work, the enthalpy of solvation were obtained
by combining measurements enthalpy (∆H) and hydration changes (∆nw ) associated with oxygenation
of different hemoglobins (Hb). The number of water
molecules associated with the change in water accessible protein surface during O2 linked change in Hb
quaternary structure (the T-R transition) varies according to Hb specie, and within each specie with
chloride concentration. The preferential binding of
the anion chloride to the T conformation of Hb alters its tertiary structure, reflecting the changes in the
∆nw value measured in the absence and in the presence of this anion. These values of oxygenation ∆nw
were obtained in solution by osmotic stress method,
starting from the determination of the dependence of
P50 , the O2 pressure at half saturation, with the water activity (aw ) in solution. Different Hbs, in different
solution conditions, besides having different values of
molecules is involved in many biological and technical process. The main features of this association is
the decrease of binding constant upon the addition of
electrolytes due the screening of macromolecular potential by the salt ions distributed around the macromolecule. Conversely, by means of Monte Carlo simulations invoking a simple and general model for the
macromolecule, it was verified that the binding affinity
of a small ionic ligand (calcium ions) to a oppositely
charged macromolecule is increased by the salt addition in the presence of polyelectrolytes. These results
confirm the anomalous salt effect on binding of barium ions to chelators in the presence of charge silica
(J. Phys. Chem. B 2005, 109, 2007-2013) and a
more general screening effect due the presence of all
charged species on the formation of macromolecular
complexes.
Sponsors: Fapesp and CNPq.
∆nw oxygenation, also have different values of ∆H.
We have correlated ∆H and ∆nw values pertaining
to Hb Equine adult, Bovine adult and fetal, Human,
5
The Interaction Between DNA and
The results indicates that even at high pH chitosans
Polycations: Chitosan and its
having degrees of substitution (DS) varying from 0.3
Derivatives.
to 0.4 effectively condense DNA and may be an alter-
Casé, A. H.1 , Picola, I. P. D., Tiera, M. J.
native to avoid non-specific cellular interactions with
chitosan nanoparticles.
Chitosan is a nontoxic and biodegradable polysaccha-
Fokker-Planck Equation,
ride that has recently emerged as a promising can-
Supersymmetry and Variational Method
didate for gene delivery. In this work the ability of
Castro, G. R. P. B.1 , Filho, E. D.
various chitosans to compact DNA was studied. The
interaction of chitosan and chitosan-phosphorylcholine
derivatives (CH-PC) with calf thymus DNA was monitored by the fluorescence quenching technique using
In this work, the Fokker-Plack equation[1] is ana-
the cationic dye ethidium bromide (EB). The titration
lyzed by a one-dimensional symmetric bistable poten-
of DNA-EB aqueous solutions with chitosans solutions
tial [2]. The adopted approach consist in determining
was conducted at different pH values (4.0, 5.0, 6.3 and
an Schrödinger equation associated with the original
7.0). The decrease in fluorescence is observed in all
Fokker-Planck equation and theough the formalism
mixtures which indicate formation of DNA-chitosans
of sypersymmetric quantum mechanics (3,4] a wave
complexes at all studied pH values. For lower pH val-
function to be used in the variational method [5] is
ues (pHs 4.0 and 5.0) the interaction resulted in more
propose. The Fokker-Planck equation has wide appli-
pronounced quenching with the maximal effect at pH
cations in several branches of physics, chemistry and
4. At pH=4.0 the fluorescence quenching occurred
biology. For exemple, it is used in atomical physics to
at level of 25% of the initial fluorescence when the
study atomic tramp [6]. Other examples can be ob-
charge ratio was close to 1. This finding suggests
tained in the reference[7] and references therein. The
that at pH 4 and 5 almost all amino groups (substi-
method introduced here is based on the search for a
tuted and unsubstituted) are involved in the formation
superpotential yhat supplies and effective Hamiltonian
of ionic pairs with phosphate groups of DNA. Light
similar to the original one. Then, and analytical ap-
scattering measurements showed that DNA complexes
proximated wave function is determined from the su-
formed by chitosan and Chitosan-PC hybrids had parti-
perpotential [3, 8-10]. Using the supersymmetric for-
cle diameters of around 200 to 300 nm at low monomer
malism it is possible to build an effective hierrarchy
unit:nucleotide molar ratios. The nanoparticles formed
of Hamiltonians. The eigenvalues and approximated
with CH-PC were shown to be stable during weeks.
eigenfunctions are determined for each state by super-
The interaction depends of both pH and phosphoryl-
algebra approach. The eigenfunctions and eigenvalues
choline content. At low pH the interaction is favorable
obtained by this method are the use to calculate the
and the nanoparticles are stable even for the polymers
transition probability. The results are compared with
containing ”high”PC contents. At higher pH values
the values found by the method of state-dependent
the interaction decrease with increasing amount of PC.
diagonalization (SDD( 7].
6
References:
them potential targets for development of new ther-
[1] H. Risken, “The Fokker-Planck Equation, Methods
apy against infectious diseases, such as tuberculosis,
of Solution and Applications”, 2nd Edition, Springer
which is the world’s second commonest cause of death
Verlag, Berlin, 1989
from infectious disease. The last enzyme of shikimate
[2] W.Y. Keung, E. Kovacs, U.P. Sukhatme, Physical
pathway is the chorismate synthase (CS), which is re-
Review Letters, 60 (1988( 41
sponsible by conversion of the 5-enolpyruvylshikimate-
[3] G.R.P. Borges, E. Drigo Filho, International Jour-
3-phosphate (EPSP) into chorismate. Here, we report
nal of Modern Physics A, 16 (2001) 4401
the crystallographic structure of CS from Mycobac-
[4] F. Cooper, A. Khare, U. Sukhatme, Physics Re-
terium tuberculosis (MtCS) at 2.0 Å resolution and
ports, 251 (1995) 267
prediction of the binding site of EPSP through of mole-
[5] S. Gasiorowicz, “Quantum Physics”, 2nd Edition,
cular docking. MtCS was crystallized using the vapor
John Wiley & Sons, Canada, 1996
diffusion technique. The crystal diffracted at 2.0 Å res-
[6] M.E. Gehm, K. M. O’Hara, T.A. Savard, J.E.
olution and the data were processed through program
Thomas, Physical Review A 58 (1998) 3914
Mosflm and Scala. The structure of MtCS was solved
[7] F. So, K.L. Liu, Physica A, 277 (2000) 335
by molecular replacement through program AMoRE.
[8] E. Drigo Filho and R.M. Ricotta, Modern Physics
The crystallographic refinement was performed by pro-
Letters A 10, (1995) 1613
gram REFMAC 5.
[9] E. Drigo Filho and R.M. Ricotta, Modern Physics
EPSP was realized by program GRAMM. The struc-
Letters A 19, (2000) 1253
ture presents an Rfactor and Rfree of 18.9% and
[10] E. Drigo Filho and R. M. Ricotta, Physics Letters
21.2%, respectively. The Ramachandran plot shows
A 269 (2000) 269
that the structure presents of 99.4% of residues in fa-
The molecular docking of the
vorable regions. The structure of MtCS is similar to
Crystal structure of Chorismate
other CS structures, presenting as a ?-?-? sandwich
Synthase from Mycobacterium
tuberculosis at 2.0 Å resolution and
structural, in which monomer consist of a central he-
prediction of binding site of the
EPSP binding site is extremely basic being therefore
substrate EPSP.
formed mainly by arginines and histidines. The struc-
1
1
2
Dias, M. V. B. , Santos, B. B. , Ely, F. ,
2
2
lical core. The molecular docking predicts that the
ture of MtCS to high resolution may be until in the
1,2
Basso, L. A. , Santos, D. S. , Azevedo Jr., W. F.
development the new drug against tuberculosis and
other disease infectious. (FAPESP)
2. Pontifı́cia Católica Universitária (PUC) - Tecnopuc Porto Alegre - RS - Brasil
Influence of the magnesium ion on the
In microorganisms, such a bacteria, the aromatics
crystal structure of the Shikimate
Kinase from Mycobacterium tuberculosis
compounds are synthesized through seven enzymes
complexed with shikimate and ADP
from the shikimate pathway, which are absent in mam-
Faim, L. M.1 , Dias, M. V. B., Bordim, I., Oliveira,
mals. The absence of this pathway in mammals make
J. S., Basso, L. A., Santos, D. S., Azevedo Jr., W. F.
7
On the preparation and characterization
of cationic vesicles of
dioctadecyldimethylammonium salts
The
seven
step
shikimate
pathway
links
the
Feitosa, E.1
metabolism of carbohydrates to the biosynthesis of
aromatic amino acids and other aromatic secondary
metabolites.
The shikimate pathway enzymes pro-
vide are potential target for the development of antimicrobial and antiparasitic agents because it is absent in animals and it is present in bacteria. Shikimate kinase is the fifth enzyme of this pathway and
it catalyses the phosphorylation of the 3-hydroxyl
group of shikimate using ATP as a co-substrate.
The crystal of MtSK:ADP:shikimate complex diffracted to 1.93Å resolution in the space group P3221.
The data set presents a completeness of 96.9% and
Rmerge of 8.9%.
The crystal structure of the
MtSK:ADP:shikimate was determined by molecular replacement methods using the program AMoRe and refined by program REFMAC5. The Rfactor and Rfree
of structure are 20.2% and 27.0%, respectively. The
Ramachandran plot presents 95.6% of residues in the
favorable regions. In the structure presented here, it
is possible to observe, which the absence of Mg2+
causes significant effects in the position of shikimate
and in some residues of the active site, mainly Asp32
and Asp34. The absence of Mg2+ also causes an effect in the position of the ADP molecule. The structure described here presents better resolution than others previously determined in the literature (2.15 Å).
Many surfactants assemble in water as closed bilayer
structures, referred to as vesicles. In spite of being
widely investigated, the structure and mechanism of
vesicle formation is still poorly understood. Overall,
to assemble as vesicles the surfactant packing parameter P=v/al should approaches unity, meaning that
the surfactant should have bulky hydrophobic portion.
In practice, long double chain surfactants assemble as
vesicles. Dioctadecyldimethylammonium bromide or
chloride (DODAB or DODAC), have been used to form
cationic vesicles with size that depends on the way the
vesicles are prepared. They can be prepared by dissolving the surfactant in water at a temperature safely
above the melting temperature (Tm), which is around
45 and 49oC, respectively. High curvature vesicles can
also be formed by extruding the spontaneously formed
surfactant dispersions, and the Tm of these surfactants is reduced when the curvature is raised. Sonication is also often used to increase the vesicle curvature, but without satisfactory control. These and other
physical properties of DODAB and DODAC vesicles,
investigated by light scattering, criogenic transmission
microscopy, microcalorimetry, electron spin resonance,
fluorescence and tensiometry are discussed.
The structural data obtained with this structure may
anism of SK-catalyzed reaction and also may be un-
Functional Properties of Hemoglobins
from the freshwater turtle Phrynops
til for the development of a new generation of drugs
geoffroanus (Schweigger, 1812)
against tuberculosis. Fapesp (processes 05/50446-9,
Ferrarezi, A. L.1 , Bonilla-Rodriguez, G. O.
provide crucial information for elucidating the mech-
03/12472-2 and 01/07532-0).
8
Phrynops geoffroanus lives in the water, being capa-
2. Depto. de Fı́siac Aplicada I - Faculdade de Ciências
ble of submergence lasting many hours or days and
Fı́sicas - Universidad Complutense - @28040 - Madri -
can survive to anoxic or hypoxic conditions. We in-
Espanha
vestigate their hemoglobins, from the standpoint of
their functional properties and characterization of their
aggregation state. Blood samples were subsequently
analyzed pH dependence of the oxygen affinity (Bohr
Effect), effects of temperature and phosphate binding
by tonometry and induced oxidation by H2O2. Since
the hemoglobins from P. geoffroanus appear to easily
aggregate, we performed polymerization analysis using
gel filtration chromatography and eletrophoretic mobility. The functional data showed an alkaline Bohr
effect and modulation by phosphates, the hemolysate
showed cooperative oxygen binding under all experimental conditions. Oxygen binding and cooperativity
We consider the motion of an incompressible viscous
fluid. The fluid is driven through a rectangular capillary by a uniform pressure gradient. We solve numerically the three dimensional Navier-Stokes equations for
the velocity field to obtain the steady solution. Then
we set and solve the Langevin equation for the fluid.
We report thermal fluctuations for the center-line velocity together with the corresponding relaxation times
as a function of the considered small volume where the
fluctuations occur and the Reynolds number. The results could be important in selecting the size of the
collection volume in Fluorescence Correlation Spectroscopy.
were temperature dependent, with O2-affinity decreasing with raising temperature. The data would suggest
two sites for phosphate binding, but the presence of
isoforms and aggregation phenomena raise difficulties
for conclusions on this matter. The experiments of induced oxidation indicated that human hemoglobin is
more stable than those from the freshwater turtle. We
Development of a spectrophotometric
system of long optic way for the analysis
of biological molecular interactions of
high affinity
Galo, A. L.1 , Colombo, M. F.
observed the presence of polymers due to intermolec-
ular disulfide bonds between tetramers. As proposed
by some authors, SH rich hemoglobins could act as a
protection against reactive oxygen species during hypoxia. Financial Support: CAPES (ALF), FAPESP
(03/00085-3) and CNPq (GOBR).
In this work we develop a optic device that can be
connected to a conventional spectrophotometer and
so it functions as a cell of very long optic way (liquid
guide of wave). This device uses as sample carrier a
R capillary) that
liquid guide of wave (TEFLON-AF
Hydrodynamic fluctuations in a
allows the accomplishment of measures of absorbance
rectangular microcapillar - Langevin
Dynamics Simulation.
and fluorescence of samples with optics density up to
Fornés, J. A.1 , Zárate, J. M. O.2
the traditional equipment. Thus, we can very expand
1000 lesser times than at is carried through ones in
the use of the spectroscopy for the determination of
1. Instituto de Fı́sica - Universidade de Goiás - CEP
high affinity constants of dissociation, inaccessible be-
74001-970 - C.P. 131 - Goiânia - Go - Brasil
fore. Here we present at great length the construction
9
of this device, as well as the first tests. These first
A system and all its members will cooperate and re-
results are sufficiently satisfactory, this device behaves
arrange its states to improve their present condition.
very well (of linear form, according to Law of Beer-
They strive to reach the best possible state for each
Lambert) in regions of concentrations well below of
of them which is also the best possible state for the
the limit reached traditionally in our laboratory.
whole system. This led us to propose a quantum equilibrium in which a system is stable only if it maximizes
the welfare of the collective above the welfare of the
Ab initio calculations of the bcc Fe-Al
phase diagram including magnetic
interactions.
individual. If it is maximized the welfare of the individual above the welfare of the collective the system
gets unstable and eventually it collapses.
Gonzales-Ormeño, P. G.1 , Petrilli, H. M.2 ,
Schon, C. G.2
Structural studies of a fucose binding
1. UNFV-Perú
lectin from Lotus tetragonolobus seeds
2. USP-Brasil
Martil, D. E.1 , Moreno, F. B. M. B.1 ,
The metastable phase diagram of the body-centered
Cavada, B. S.2 , Azevedo Jr., W. F.3
cubic-based ordering equilibra in the Fe-Al system
has been calculated by the cluster expansion method,
through the combination of the full potential-linear
2. BIOmOL-LAB - UFC - Caixa Postal 6043 - CEP
augmented plane wave and cluster variation methods.
60.455-970 - Fortaleza - CE - Brasil
The results are discussed with reference to the effect
3. Faculdade de Biociências-PUCRS - Av. Ipiranga, 6681
of including the spin polarization of Fe in the thermo-
- CEP 90619-900 - Porto Alegre - RS - Brazil.
dynamic model.
Plant lectins are a large group of carbohydrate binding proteins of non-immune origin that act decipher-
Relatioships between Evolutionary Game
ing specifically glycocodes encoded in the structure
theory and Quantum Mechanics
of glycans. The interaction of lectins and carbohy-
1
Guevara, E.
1. Escuela Politécnica Nacional - Ladrón de Guevara,
E11-253 - Quito - Ecuador
drates play biological roles in cellular processes, such
as cell communication, host defense, fertilization, parasitic infection, tumor metastasis, and plant defense
against herbivores and pathogens. They are ubiqui-
We propose quantization relationships which would
tous in animals, plants and microorganisms.
let us describe and solution problems originated by
than 250 three-dimensional structures of lectins from
conflicting or cooperative behaviors among the mem-
diverse sources are available and legume lectins rep-
bers of a system from the point of view of quan-
resent a significant part of these proteins. Lectins
tum mechanical interactions. The quantum version
shares a common structural fold but they may differ in
of the replicator dynamics is the equation of evolution
their carbohydrate specificities. Fucose binding lectins
of mixed states from quantum statistical mechanics.
are widespread among microorganisms, animals and
10
Over
plants, including Pseudomonas aeruginosa lectin (PA-
residue hydrophobicity leads to the definition of their
IIL), Anguilla Anguilla agglutinin (AAA), Morone sax-
center of mass as vertices in this contact network
atilis agglutinin (MsaFBP32), Chromobacterium vio-
model with interactions represented by edges. The
laceum lectin (CV-IIL), Ralstonia solanacearum (RS-
network analysis helps us to interpret experimental re-
IIL), Ulex europaeus agglutinin (UEA-I) and Lotus
sults such as hydrophobic scales and fraction of buried
tetragonolobus agglutinin (LTA). LTA is a member
accessible surface area in terms of the network connec-
of the legume family (Leguminosae, Papilionoideae,
tivity. To explore the vertex type dependent correla-
Loteae) of lectins, which have been widely used to ex-
tions, we build a network of hydrophobic and polar
plore the properties of membranes from both normal
vertices. This procedure presents the wiring diagram
and transformed cells. LTA is a glycoprotein contain-
of the topological structure of globular proteins lead-
ing 240 amino acid residues with a molecular mass of
ing to the following attachment probabilities between
26,273.17 Da. Small crystals of LTA appeared in 0.1
hydrophobic-hydrophobic 0.424(5), hydrophobic-polar
M Tris-HCl pH 8.5 containing 8% of iso-propanol and
0.419(2) and polar-polar 0.157(3) residues.
16% PEG 4000. LTA crystals diffracted to a maxi-
source (LNLS, Campinas - Brasil). The complete data
Protein Structure Prediction Using the
Elastic Net Algorithm
set (150 frames) was indexed, integrated and scaled
Martins, A. L.1 , Chahine, J.
mum resolution of 2.0 Å using synchrotron radiation
in a resolution range of 40.42 - 2.0 Å. LTA crystals
are monoclinic belonging to the P21 space group with
unit cell parameters of a=68,89, b=65.83, c=102.53
Å and α = γ = 90o and beta = 92o . The volume of
unit cell is 464772.31 A3 with a VM of 2.2 Å3 Da1. LTA crystal contains one tetramer per asymmetric
unit.
In this work we use the elastic net method applied
to prediction of protein structure from their amino
acid sequence. Initially we reproduce possible solutions
of a classic optimization problem known as Salesman
Travelling Problem (STP). We apply the strategy of
Durbin-Willshaw (DURBIN e WILLSHAW, 1987) elas-
Inferring topological features of proteins
tic net (EN) method. To the STP the EN method can
from amino acid residue networks
be associated with data base-derived potentials and
Martinez, A. S.1 , Alves, N. A.
some experimental data, for example radius of giration, for predicting protein structure.
1. DFM-FFCLRP-USP - Av. Bandeirantes, 3900 - CEP
14040-901 - Ribeirão Preto - SP - Brasil
Topological properties of native folds are obtained
from statistical analysis of 160 low homology proteins covering the four structural classes. This is done
analysing one, two and three-vertex joint distribution
Preliminary analysis of an eumenine
mastoparan-AF in TFE aqueous solution
by Molecular Dynamics simulations
Melo, D.1 , Broggio, S. T., Ruggiero, J. R.,
Chahine, J.
of quantities related to the corresponding network of
amino acid residues.
Emphasis on the amino acid
11
Tetradecapeptide (14 residues) extracted from wasp
Study of the complex “cytosine +
venom in appropriate solutions have amphiphatic heli-
sulphur” in the Kohn-Sham scheme of
cal conformation in agreement with Nuclear Magnetic
the density funcitonal theory.
Resonance (NMR) and Circular Dicroism (CD) data
Mollinedo, P.1 , Rosado, M. C. P. M., Ortiz, R. S.
have been shown. This property seems to be related
to hemolytic and mast cell degranulation activities and
it also reveals antimicrobial activity. Lately, several
conformations of eumenine mastoparan-AF (EMP-AF)
1. Instituto de Fisica-Universidad Nacional Autonoma de
Mexico - P. O. Box 20-364. Delegacion Alvaro Obregon Zip Code 01000 - Mexico, Distrito Federal - Mexico
extracted from the solitary wasp Anterhynchium flavo-
In this contribution are important physical properties
marginatum micado have been studied in different
of the cytosine and some of their sulphured complexes
environments. EMP-AF showed amphiphatic helical
using density functional theory. Taking like point of
structure well defined. The amino acid sequence have
reference the energetics, we propose stables geome-
amidated N-terminus and three charged lysine (5, 8
tries. Starting off of these, their vibrational spectra,
and 12). In this work, we have investigated structural
Mulliken atomic populations, dipole momenta, profiles
conformations of this peptide in the temperature (T)
of density are compared, etc. The contamination of
range (280-350K) in TFE aqueous solution by molec-
the cytosine with sulfur is able to locally modify the
ular dynamics simulations using GROMACS package.
structure of the DNA.
The simulations have been done using a cubic box
(4.5nm) that included TFE (30%) and water molecules (70%) with periodic boundary conditions; the
temperature and pressure was controlled by Berendsen algorithm and PME corrections was used for interacting far from cutoff region (1.4nm). We ran 30ns
Immobilization of proteases from
Euphorbia milii in polyacrylamide.
Moro, L. P.1 , Peres, P., Cabral, H.,
Bonilla-Rodriguez, G. O.
using the replica-exchange method for simulating the
system at several temperatures. The method was im-
plemented in 14 processors, where each replica was
simulated at different T and an unfolded initial conformation. At fixed time intervals, 2ps, two neighboring
replica try to exchange configurations with probability
exp(-x), where x=(Db)(DU), b is 1/kT and U is potential energy system. We present trajectories which
clearly show the formation helix structure of the peptide (residues 3 to 12). Along with this conformation
it is also shown others with relatively stability characterized by a helix-turn-helix structure.
Peptidases have several applications in food processing and biotechnology, such as bakery, meat tenderizing, cheese maturation, wastewater treatment, production of protein hydrolysates, etc. Preliminary data
showed that the latex from E. milii possess an active
serine peptidase, and accordingly, the present work intended to immobilize that peptidase. Immobilized enzymes have been defined as those physically contained,
maintaining its catalytic activity, and suitable for continuous utilization. In order to reach that objective,
we had to standardize the immobilization method, as
well as the tests and stability protocols. The protocol
12
proposed by Wang, N.S. for enzyme immobilization
carbohydrate moieties surrounding the catalytic site
in polyacrylamide needed to be modified for better re-
in protein C recognition, binding, and activation. The
sults. Casein degradation and peptide release were an-
occupation of the active site result in ligand-induced
alyzed by SDS-PAGE with a 5-20% gradient, allowing
structural changes in the anion-binding site located at
to verify the presence of low molecular weight fractions
the C-terminal extension, which is fully conserved in
due to proteolysis and a proportional decrease of the
snake venom serine proteinases.
casein bands. The stability tests were carried out at
3 different temperatures: room (approximately 27o C),
refrigerator (4o C) and in liquid nitrogen (-196o C). At
the refrigerator and liquid nitrogen the enzymatic ac-
Conformational study of IAN peptide
using chemometrics
Nascimento, R. R.1 , Bruni, A. T.,
tivities were performed for two months. The tests
Paiva, M. L., Leite, V. B. P.
at room temperature were not conducted by a long
period, due to mold contamination. Supported by
FAPESP and CNPq.
Structural determination of molecules plays important
Alternative Activation of the Protein C
role in modern science. The difficulty of conforma-
Pathway by the Protein C Activator
tional determination of a molecule increase exponen-
Isolated from Agkistrodon contortrix
tially with its size and degrees of freedom involved.
contortrix Venom
In a past work (A.T. Bruni et al, J. Comput. Chem,
1
Murakami, M. T. , Arni, R. K.
23, 222 (2002)) introduced a methodology based on
chemometrics to control of combinatory explosion in
systematic conformational analysis, which consists in
evaluating the total potential energy surface in pairs
The protein C pathway plays an important role in
of dihedral angles. In this work this methodology is
the control and regulation of the blood coagulation
tested in the structural determination of IAN peptide
cascade and prevents the propagation of the clotting
[isobutyryl-Ala3-NH-methyl (IAN)]. IAN was conve-
process on the endothelium surface. In physiologi-
niently chosen because it is the smallest peptide that
cal systems, protein C activation is initiated by the
can form a full helix turn. The conformations were
thrombin-thrombomodulin complex. The protein C
created and their energies were calculated using the
activator from Agkistrodon contortrix contortrix (Pro-
semi-empirical method AM1 implemented in Gaussian
tac), a glycosylated single-chain serine proteinase, ac-
98 program.
tivates protein C without relying on thrombomod-
Pair method searched 11664 points and in the total
ulin. The crystal structures of native and inhibited
method 2x1011 points. Principal Component Analysis
Agkistrodon contortrix contortrix protein C activator
was used to find the minimum energy regions. These
determined at 1.65 and 1.54 Å resolutions, respec-
regions were subsequently refined with smaller angle
tively, indicate the pivotal roles played by the positively
increments (5o ). Partial results indicate that the ap-
charged belt and the strategic positioning of the three
proach can be applied successfully on five pairs of con-
The initial angle increment was 20o .
13
secutive dihedral angles. Tests have been made to
confirm these results.
Structure of Purine Nucleoside
Phosphorylase from Mycobacterium
tuberculosis in complex with Acyclovir
Conformational features of Cepacian
Nogueira, C. E. S.1
Nolasco, D.1 , Cortinóz, J. R., Azevedo Jr., W. F.
Tuberculosis causes 8 million new infections and kills
Conformational energy calculation and molecular dy-
2 million people each year worldwide according to
namics investigations, both in water and in dimetyl-
the World Health Organization (WHO). It is esti-
sulfoxide, were carried out on the exopolysaccharide
mated that approximately 2 billion individuals, one-
Cepacian produced by the majority of the clinical
third of the world population, is infected with la-
strains of Burkholderia cepacia, an opportunistic bac-
tent TB. Tuberculosis resurged in the late 1980s and
terium causing serious lung infection in patients af-
was declared to be a global emergency by the WHO.
fected by Cystic Fibrosys. The investigation was aimed
The high susceptibility of human immunodeficiency
at the definition of the structural and conformational
virus-infected persons to the disease and the prolifer-
features which may be relevant for the clarification
ation of multidrug-resistant (MDR) strains have cre-
of the structure-function relationships of the polymer.
ated a worldwide interest in expanding current pro-
In fact, it was recognised that exopolysaccharides are
grams in tuberculosis research. New antimycobacterial
one of the factors contributing to the infection main-
agents are needed to treat Mycobacterium tuberculo-
tenance. The molecular dynamics calculations were
sis strains resistant to existing drugs and to shorten
carried out on the basis on the Ramachandran-type
the treatment course to improve patient compliance.
energy plots, relative to the dimers composing the
Purine Nucleoside Phosphorylase (PNP) is an enzyme
polymer repeating unit. The dynamics of an oligomer
involved in the salvage pathway of purine, and it has
composed of three repeating units showed significative
been studied as a potential target for drug develop-
differences between water and DMSO. The analysis of
ment. PNP has been submitted to intensive structure-
the time persistence of hydrogen bonds showed the
based drug design, and there are several inhibitors with
presence of a large number of favourable interactions
IC50 at nM range. The present structural study re-
in water which were less evident in DMSO. In addition,
ports the cloned and expressed PNP from Mycobac-
polymer configuration statistics revealed the tendency
terium tuberculosis in complex with Phosphate and
of the polymer chain to assume a bent structure imply-
Acyclovir (MtPNP·Acy·PO4). The present structure
ing about 20 sugar residues which superimposed to a
explains the structural basis for inhibition of MtPNP
short range order given by the specific glycosidic bond
by Acyclovir, and may be used to guide the develop-
sequence.
ment of specific inhibitors for MtPNP.
14
Effects of substrates, metals and
minimum changes in secondary structure amount of
allosteric inhibitors on the secundary
protein, however the E4P do not seem to cause any
structure of 3-deoxy-D-arabino-
change in secondary structure amount of DAHPS from
heptulosonate-7-phosphate Synthase
(DAHPS) from Mycobacterium
M. tuberculosis. This is an important information to
tuberculosis
to understand its operation principle. Furthermore,
Okada, S. S. , Santos, B. B., Dias, M. V. B.,
this information will be able to contribute to drive the
1
Mendonça, J. D., Cabreira, M. P. S., Basso, L. A.,
Santos, D. S., Azevedo Jr., W. F., Fadel, V.
determine the mechanism of regulation of DAHPS and
development of new drugs against M. tuberculosis.
FAPESP/CNPq
The enzymes of the shikimate pathway are promis-
Trypsin properties in the presence of
cationic tensoactives
ing targets for the development of potentially non-
Okamoto, D. N.1 , Cabral, H., Ouchi, R. Y., Peres,
toxic antymycobacterial agents because these enzymes
P., Fossey, M. A., Tiera, M. J., Tiera, V. A. O.,
are essential to the viability of those agents and the
Fertonani, I. A. P., Bonilla-Rodriguez, G. O.
pathway is absent from mammals. The first step of
this pathway is catalysed by DAHPS and involves the
condensation of phosphoenolpyruvate (PEP) and erythrose 4-phosphate (E4P) to form DAHP. DAHPS
The protein-surfactant interaction comes from the
is a metalloprotein, activated by a variety of diva-
great variety of applications in food and pharmaceuti-
lent metals and it is also allostericly regulated by
cal industry and analytical biochemistry. The trypsin is
aromatic amino acids. In order to study the effects
a water-soluble serine protease that hydrolyzes peptide
of metals, substrates, and allosteric inhibitors on the
bonds after basic residues (Arg/Lys) and have 2 do-
secundary structure of DAHPS we obtained circular
mains stabilized by disulphide bonds. The cationic sur-
dichroic (CD) spectra in a Jasco-710 spectropolarime-
factants are quaternary ammonium compounds that
ter. The spectra of apoenzyme, enzyme in the pres-
are used in industrial and commercial formulations.
ence of metals, substrates, and allosteric inhibitors
The interaction of them has been extensively studied,
were measured. The spectra were analyzed whit Di-
but their influence on enzyme catalysis has not yet
croprot and Origin programs. In the presence of met-
been fully examined. This work analyzed the effect of
als, it was observed that zinc and copper provided
CTAB and DTAB on the catalytic activity and stabil-
the greatest changes on the secundary structure of
ity properties of the trypsin. The enzyme was purified
DAHPS, while other metals provided middle or al-
by gel filtration chromatography in Sephadex G-50.
most no change on the structure. Aromatic amino
The activity was measured by absorbance readings at
acid phenilalanine showed to be the more effective al-
410nm in a mixture containing Hepes buffer containing
losteric inhibitor of the DAHPS causing more changes
CaCl2 (pH7.0). The structural change was analyzed
in the secondary structure amount, followed by trypto-
by fluorimetry and circular dichroism. In denatura-
phan and tyrosine. The PEP substrate seems to cause
tion urea and CTAB act synergistically. Interestingly,
15
DTAB induces faster changes in secondary structures,
The influence of frustration on the
but CTAB causes larger effects when we analyze the
specificity of the transition collapse in
functional properties. Stability tests showed us that
the protein folding process.
there is an increase in Vmax and KM.
Financial support:
Oliveira, L. C.1 , Chahine, J., Leite, V. B. P.
FAPESP (03/00085-4 and
04/00114-7)
Purification and Characterization of
Fibrinogen-Converting Enzymes from
We performed Monte Carlo simulations on a cubic lat-
Snake Venoms
studied, and their thermodynamic behavior were char-
Oliveira, D.1 , Cintra, A. C. O.2 , Serrano, S. M. T.3 ,
acterized as function of their degree of frustration.
Arni, R. K.
1,3
1. Department of Physics - Ibilce-UNESP - Rua
Cristovão Colombo, 2265 - CEP 15054-000 - São José do
Rio Preto - SP - Brasil
2. Department of Biochemistry and Immunology - USP Ribeirão Preto - SP - Brasil
3. Center for Applied Toxinology - Butantan Institute São Paulo - SP - Brasil
tice model 3x3x3 (27-mer). Several sequences were
It was possible to note that the increase of frustrations (on the native structure) can drive the protein
to a nonspecific collapse. We selected a sequence
that does not show a collapse transition for an intermediate regime for the interactions, (defined as El=3, Eu=1). When mutations were introduced on this
system, which increased the degree of frustration of
the native state, the chain collapses. This result suggests that proteins with many unfavorable contacts
Snake venom serine proteinases (SVSPs) belong to
the trypsin/chymotrypsin subfamily of enzymes, which
share high sequence homology (60-70%) and are
highly specific in relation to their macromolecular substrates. These enzymes are typical glycosylated singlechain proteins that interfere in the control, regulation
and maintenance of the haemostatic system by interacting with others serine proteinases of the coagulation
cascade and the fibrinolytic feedback system. In this
study, SVSPs from Bothrops jararaca, Crotalus durissus terrificus and Crotalus durissus collineatus venoms
tend to collapse before folding. The same test was
performed with others sequences in the low hydrophobicity (El=3, Eu=-3) regime and we have shown that
the same result is obtained, if the amount of frustration reaches a critical value. The results of this
study could, in principle, be associated with proteins
which have a given number of non-favorable contacts
in their native state. This means that, a well designed
sequence would fold directly to the native, and as frustration comes into play, the folding would be preceded
by a collapse transition.
have been purified in a large scale for structural studies. The purification involves two steps using molecular exclusion and affinity chromatography. The purity
and homogeneity were verified by silver stained SDSPAGE and spectroscopic techniques.
Study of Diffusion Coefficient in Protein
Folding
Oliveira, R. J.1 , Leite, V. B. P., Chahine, J.
Financial Support: FAPESP, CNPq, CAPES/DAAD
and CEPID.
16
The process of protein folding is mapped in a diffusion
pronounced quenching with the maximal effect at pH
equation with the probability flow between the reaction
4. At pH=4.0 the fluorescence quenching occurred
coordinate, that it describes the similarity degree of a
at level of 25% of the initial fluorescence when the
configuration with the protein native state. The fold-
charge ratio was close to 1. This finding suggests
ing times can be calculated with effective potencials
that at pH 4 and 5 almost all amino groups (substi-
and the diffusion coefficient. In general, it is assumed
tuted and unsubstituted) are involved in the formation
constant, but we know that the diffusion coefficient
of ionic pairs with phosphate groups of DNA. Light
varies between the reaction coordinate. Using lattice
scattering measurements showed that DNA complexes
models, this project study the dependence of the dif-
formed by chitosan and Chitosan-PC hybrids had parti-
fusion coefficient through the reaction coordinate and
cle diameters of around 200 to 300 nm at low monomer
how to calculate de folding times in different system’s
unit:nucleotide molar ratios. The nanoparticles formed
temperatures, primary sequence and hydrofobicityde-
with CH-PC were shown to be stable during weeks.
gree. Also, we expect to expand this study to single
The interaction depends of both pH and phosphoryl-
molecule experiments and the transition of the too
choline content. At low pH the interaction is favorable
many pathways in proteing folding to little or just one
and the nanoparticles are stable even for the polymers
dominant pathway.
containing “high” PC contents. At higher pH values
the interaction decrease with increasing amount of PC.
The Interaction Between DNA and
The results indicates that even at high pH chitosans
Polycations: Chitosan and its
having degrees of substitution (DS) varying from 0.3
Derivatives.
to 0.4 effectively condense DNA and may be an alter-
Picola, I. , Casé, A. H., Tiera, M. J.
native to avoid non-specific cellular interactions with
1
chitosan nanoparticles.
Chitosan is a nontoxic and biodegradable polysaccha-
Ternary phase diagram of system
containing essential orange
ride that has recently emerged as a promising can-
oil/surfactant/water.
didate for gene delivery. In this work the ability of
Polizelli, M. A.1 , Cavalcante, V. R. O., Feitosa, E.
various chitosans to compact DNA was studied. The
interaction of chitosan and chitosan-phosphorylcholine
derivatives (CH-PC) with calf thymus DNA was mon-
itored by the fluorescence quenching technique using
Phase diagrams constitute a suitable way to rep-
the cationic dye ethidium bromide (EB). The titration
resent the complex behavior of systems containing
of DNA-EB aqueous solutions with chitosans solutions
anphiphilic molecules (surfactants) at varying tem-
was conducted at different pH values (4.0, 5.0, 6.3 and
perature compostion of the compounds.
7.0). The decrease in fluorescence is observed in all
communication it is presented a complete ternary
mixtures which indicate formation of DNA-chitosans
phase diagram of the system containing orange es-
complexes at all studied pH values. For lower pH val-
sential oil (OEO)/bis (2-ethylexyl) sodium sulfosuc-
ues (pHs 4.0 and 5.0) the interaction resulted in more
cianate (AOT)/water, with potential application in
In this
17
food, pharmacy or cosmetic industry. The phase dia-
but inhibited by CoCl2, MnCl2, AlCl NaCl and KCl.
gram was constructed by diluting a mixture of AOT x
The presence of oxidizing, reducing and chelating com-
wt% with OEO y wt%. Microvolumes of water were
pounds reduced enzyme activity. Km and Vmax val-
added to AOT:OEO mixtures following the x:y dilution
ues were calculated with p-nitrophenyl acetate as a
lines in the ternary phase diagrams, and the samples
substrate: 0.94 mM and 1.9mM/min, respectively. In
observed by eyes and cross polaroids. In the phase
terms of substrate specificity, the enzyme was more ac-
diagram it was identified three single phases and two
tive on p-nitrophenyl miristate than using other fatty
two-phase regions: a clean isotropic phase of oil in
acids. The effect of salts (LiCl, NaCl and KCl) on li-
water (O/W) microemulsion, L1, an isotropic water
pase activity was also investigated. Hydrolitic activity
in oil (W/O) micoremulsion, L2, and a birrefringent
showed different effects depending on the salt.
liquid crystalline phase, Lc, probably a lamellar phase;
Financial
one of the two-phase regions is an extension of the
(05/03157-1) (FDAF), FAPESP (03/00085-4) and
OEO/water two phase mixture and the other is a mix-
CNPq (GOBR).
Support:
CAPES (PPP), FAPESP
ture of the L2 and Lc. The single phases can be important in many technological applications.
Crystal Structure of Enoyl-ACP (CoA)
Reductase (InhA) I21V Mutant
Partial Functional Analysis of a Lipase
Isoniazid Resist from Mycobacterium
Extracted from Oil Seeds
tuberculosis Complexed with Isoniazid
1
Polizelli, P. P. , Cabral, H., Facchini, F. D. A.,
Prado, A.M.X1 , Dias, M.V. B., Vasconcelos, I. B.,
Moro, L. P., Bonilla-Rodriguez, G. O.
Basso, L. A., Santos, D. S., Azevedo Jr., W. F.,
Fadel, V.
Lipases are typically thought in terms of their hydrolysis of triacylglycerols to glycerol and free fatty
The increase of the tuberculosis is resulted of the sus-
acids. They possess the unique feature of acting at an
ceptibility of people infested with HIV, and due the
interface between aqueous and non-aqueous phases.
multidrug-resistant strains. The target of the action
Due to the rapid development of enzyme technology,
of drug isoniazid (INH) is InhA. InhA catalyzes NADH-
many new potential biotechnological applications for
dependent reduction of unsaturated, long chain of the
lipases have been identified in the areas of detergents,
fatty acid chain (mycolic acids), which is vital for bac-
oilchemistry, food processing, organic synthesis and
terial cell wall synthesis. The drug resistance is directly
pharmaceutical industries. The aim of the present in-
related to punctual mutations, among them the I21V
vestigation was to perform a characterization of the
mutation. In this work, we present the I21V mutant
lipase from Pachira aquatica. The characterization
isoniazid resist structure from M. tuberculosis solved
procedure was done by assaying enzyme activity with
to 2.2Å resolution. The structure was determined by
nitrophenyl-esters as substrates. The enzyme activ-
molecular replacement and refined by REFMAC5. The
ity was higher in the presence of CaCl2 and MgCl2,
crystals of protein are hexagonal belonging to spatial
18
group P6222. The data set presents a completeness
and the numbers of contacts made by the side chains
of 98.7% and Rmerge of 7.2%. The structure of InhA
forming the cores.
(I21V) mutant presents an a/b folding pattern with
ture are 18.4% and 23.6%, respectively with the Ra-
Sensitive Electrostatic Forces in
Biological Systems
machandran plots showing 96.9% residues in the favor-
Silva, F. L. B.1 , Jönson, B., Lundi, M.
able and most favorable regions. The mean B-factor
1. FFCLRP/USP - Av. Bandeirantes,3900 - CEP
for the structure of protein is 37.11Å3 and for INH is
a Rossmann-fold. The Rfactor and Rfree of struc-
31.12 Å3. The I21V mutation and INH binding seems
not to influence in the overall protein structure, despite to occur minimums conformational alterations in
some residues of active site. Furthermore, this structure present a better resolution than the other structures of InhA complexed with INH reported in the literature. Thus, the structure presented here can be to
help in the understanding of action mechanism of INH
and to drive the development the new drugs against
The complexation of polyelectrolytes and proteins is
extensively used in pharmaceutics, foods and cosmetics. The subject has been addressed by a number of
authors exploring it from experimental measurements
to theoretical modeling. The strength of interaction
is to a large extent regulated by the market effect
of electrostatic interactions, governed by key parameters such as pH and salt concentration. One peculiar phenomenon is that association can take place
tuberculosis.
even when the protein and the polyelectrolyte carry
the same charge. This has been interpreted as if the
Predicting of Protein Structure Using
ion-dipole interaction can overcome the repulsive ion-
Genetic Algorithms and Rotamer Library
ion interaction. Conversely, we suggest that this is
1
Scott, L. P. , Chahine, J., Ruggiero, J. R.
1. UNIFEV
due structure sensitive electrostatic forces which arise
from fluctuations in charge and charge distribution associated with fluctuations in number of the protons
In this work, genetic algorithms concepts along with a
bound to the protein. Based on Monte Carlo simu-
rotamer library for proteins side chains are used to op-
lations and perturbation theory we propose an expla-
timize the tertiary structure of the hydrophobic core of
nation for the association, namely charge regulation.
Cytochrome b562 starting from the known PDB struc-
We have investigated three different protein-polymer
ture of its backbone which is kept fixed while the side
complexes and found that the induced ionization of
chains of the hydrophobic core are allowed to adopt
amino acid residues due to the polyelectrolyte, leads
the conformations present in the rotamer library. The
to a surprisingly strong attractive interaction between
atoms of the side chains forming the core interact via
the protein and the polymer. The extra attraction
van der Waals energy. Besides the prediction of the
from this charge-induced charge interaction can be
native core structure, it is also suggested a set of dif-
several kT and is for the three cases studied here,
ferent amino acid sequences for this core. Comparison
lysozyme, α-lactalbumin and β-lactoglobulin, of the
between these new cores and the native are made in
same magnitude or stronger than the ion-dipole in-
terms of their volumes, van der Waals energies values
teraction. The magnitude of the induced charge is
19
governed by a response function, the protein charge
mechanisms of activation and inhibition of CDK2 and
capacitance < Z 2 > − < Z >2 . This fluctuation
for the discovery of inhibitions. Model building of the
term can easily be calculated in a simulation or mea-
complexes were carried out using the program Par-
sured in a titration experiment.
model, which is a web server for automated mod-
SUPPORT: Fapesp, CNPq and Lunarc.
eling and protein structural assessment.
Parmodel
runs a parallelized version of MODELLER. We have
Molecular Modeling of CDK8 in
Complex with Flavopiridol
Silva, A. R. L.1 , Azevedo Jr., W. F.1,3 , Canduri, F.1,2
constructed three-dimensional models of the CDK8
apoenzyme and CDK8 in complex with flavopiridol
by comparative molecular modeling, and these models are further assessed by Verify-3D and Procheck.
These structures have been compared with other CDK
structures, and the results show that these models are
2. Departamento de Morfofisiologia - CCBS-UFMS -
reliable. The CDK8 models are folded into the typi-
CGD-MS - Porto Alegre - RS - Brasil
cal bilobal structure, with the smaller N-terminal lobe
3. Departamento de Biologia Molecular e Biotecnologia -
consisting predominantly of b-sheet structure and the
PUC - Porto Alegre - RS - Brasil
larger C-terminal lobe consisting primarily of a-helices.
The central role of CDKs as regulators of transcrip-
Ten cyclin-dependent kinases (CDK1-CDK10) are currently known, of which only CDKs 1, 2, 3, 4, and
6 intervene directly in the cell cycle, while CDK7
plays an indirect role as an activator of these CDKs.
tion makes them a promissing target for discovering
small inhibiting molecules that can modify the degree
of RNA transcription.
Work supported by CAPES and CNPq.
CDK1 controls G2/M transition and CDK2, CDK3,
CDK4, and CDK6 are implicated at G1/S. Further-
A model coupling vibrational and
more, CDK7, CDK8, CDK9 act as regulators of tran-
rotational motion for the DNA molecule
scription. Both CDK7 and CDK8 phosphorylate the
Silva, R. A. S.1 , Filho, E. D., Ruggiero, J. R.
large subunit of RNA polymerase II, required for elongation. CDK9 is a component of the transcription
factor P-TEFb. Moreover, CDK8/cyclin C also re-
presses transcription by phosphorylating cyclin H and
We investigate the thermal denaturation of the DNA
negatively regulating TFIIH kinase activity, and it
molecule using an adaptation of Peyrard and Bishop
has been reported that the inhibitor flavopiridol po-
model coupling vibration and rotational motions. The
tently inhibits transcription. Since that the function of
transfer integral operator formalism from statistics me-
protein is determined essentially by its corresponding
chanics is used as theoretical tool. In this model, DNA
three-dimensional (3D) structure, the human cyclin-
is represented as a pair of harmonic chains joined to-
dependent kinase 8 (CDK8) structures complexed with
gether by a non linear potential. We obtain from this
flavopiridol have been modelled using human CDK2 as
model the average stretching between bases pairs as
template. The three-dimensional structure of CDK2
function of the temperature. We discuss the break-
provides a structural foundation for understanding the
ing of the hydrogen bonds correlating then with the
20
resonance conditions among vibrational and rotational
soft core potential and orientational degrees of free-
motions.
dom represented through thermal ice variables. Hydrogen bonds could be formed only when the bonds in
the same molecule form perfect angles between each
Ionic distribution in systems as anionic
micelles and zwitterionic vesicles.A
mean field theoretical approach.
Souza, T. P.1
other. In this case, the competition between the directional attractive forces and the soft core potential
leads to a phase diagram in which two liquid phases
and a density anomaly are present. Moreover, the co-
existence line between the low density liquid and the
high density liquid has a positive slope contradicting
the surmise that the presence of a density anomaly
The work adresses to the description and interpre-
implies that the high density liquid is more entropic
tation of the ionic distribution around molecular ag-
than the low density liquid. In this work, we study the
gregates of biological interest.The system and proper-
diffusivity of this model. Particles in a given state are
ties studied are: pH values around SDS micelles mea-
allowed to move from one site to another site. The
sured using salicilic acid probes to determine its depen-
particle preserves the directional state when moving
dence with the added salt concentration. Simple ions
to another site. The model is useful for understanding
binding in zwitterionic micelles in electrolytic solution.
the diffusion anomaly present in liquid water.
The theoretical results led to the conclusion that salicilic acid probes have its dissociable group always near
( 0.1nm) the SDS micelle surface, independently of the
Charged lipid vesicles and phase
transitions: a statistical model
length of the chain between the nitrogen group and the
Tamashiro, M. N.1 , Henriques, V. B.2 ,
dissociable group. The ions in a zwitterionic micelle
Lamy, M. T. M.2 , Barbetta, C. R.3
have two dimensional translational freedom and in this
way the zwitterionic membranes behaves as electrically
conducting surfaces.
1. Instituto de Fı́sica Gleb Wataghin - Universidade
Estadual de Campinas - C.P. 6165 - CEP 13083-970 Campinas - SP - Brasil
2. Instituto de Fı́sica - Universidade de São Paulo - C.P.
Study of the Translational Diffusion in a
66318 - CEP 05315-970 - São Paulo - SP - Brasil
Model of Water
3. École Polytechnique - 91128 Palaiseau, France
Szortyka, M. M.1 , Arenzon, J., Barbosa, M.
1. UFRGS - Av. Bento Gonçalves, 9500 - CEP
91501-970 - C.P. 15051 - Porto Alegre - RS - Brasil
The gel-fluid transition of zwitterionic lipid vesicles,
monitored by differential scanning calorimetry (DSC),
as well as by other techniques, may be modified for
charged lipids, depending on the polar head/alkyl
Recently we presented a simple model for an associat-
chain volume proportion and on the physico-chemical
ing liquid in which polymorphism and density anomaly
properties of the environment (acidity, presence of
are connected. Our model combines a two dimen-
electrolytes, etc.). For the anionic lipid dimyristoyl-
sional lattice gas with particles interacting through a
phosphatidyl-glycerol (DMPG), for example, the sharp
21
DSC peak is smoothened and gains several ”bumps”,
step, to the nearest point that has not been visited
at low ionic strength [1,2]. At higher ionic strength the
in the preceding µ steps. Using open boundary con-
behaviour usually seen for neutral lipids is recovered.
ditions, we have obtained analytically the probabilities
The important role of charge is seen in conductivity
P µ(n) = 2−µ (1 − 2−µ )n for the walker, with mem-
measurements [3], which show substantial increase in
ory µ >> 1, to visit n + µ + 1 < N points (n more
the broad DSC peak region. We propose a statisti-
points than the shortest possible route µ + 1), and
cal model for dissociating lipid chains, in which, to
P N (µ) = [1 − 2−µ ]N −µ−1 to percolate the system.
the usual ordered/disordered neutral states [4] we add
These approximated expressions are reasonable even
two charged lipid states (one ordered and the other
for small µ values. We show that the percolation tran-
disordered). Due to the competition between ionic
sition occurs in a narrow region µ µ1 ± e/ln2 around
dissociation and chain ordering, the mean-field phase
the critical memory µ1 = lnN/ln2, meaning that the
diagram of the model presents associated and dissoci-
walker does not need to have full memory of its tra-
ated gel and fluid phases, depending on the temper-
jectory to explore the whole system, it suffices to have
ature, ionic strength and lateral pressure. We discuss
memory of order lnN/ln2.
possibilities of interpretation of the experimental picture in terms of the model properties.
References:
Re-investigation of the thermal stability
of human and mouse neuroglobins
1T. Heimburg and R. L. Biltonen, Biochemistry 33,
Tosqui, P.1 , Colombo, M. F.
9477 (1994).
2K. A. Riske, M. J. Politi, W. F. Reed and M. T.
Lamy-Freund, Chem. Phys. Lipids 89, 31 (1997).
3K. A. Riske, L. Q. Amaral and M. T. Lamy-Freund,
Biochim. Biophys. Acta 1511, 297 (2001).
4A. Caillé, D. Pink, F. de Verteuil and M. J. Zucker-
mann, Can. J. Phys. 58, 581 (1980).
Neuroglobins are recent identified members of the
globins family. They share many similarities with other
globins such as the globin fold and reversible oxygen
biding, but unlike mioglobins and hemoglobins, in the
absence of external ligands, they are hexa-coordinated,
Exploring random media with partially
self-avoiding deterministic walk
1
Terçariol, C. A. S. , González, R. S., Martinez, A. S.
with a bis-hystidil heme. The function of this new
protein has not been elucidated yet, but some studies
suggest that it may protect the cell over hypoxia conditions, or act as an oxygen supplier. In this particularly
work we are interested in the thermal stability of human and mouse neuroglobins. Previously studies per-
Consider N points randomly distributed in a line seg-
formed by circular dichroism showed that neuroglobins
ment of arbitrary length. A walker explores this dis-
are very thermal stable proteins. The melting temper-
ordered medium moving according to a partially self-
ature (Tm) for human neuroglobin is 100◦ C and for
avoiding deterministic walk. The walker leaves from
mouse neuroglobin is higher than that, generally pro-
the leftmost point and moves, at each discrete time
teins have their Tm around 80◦ C. Also the proteins
22
remain functional near their Tm (Hamdane, D et al,
metallochromic indicator for calcium, were analyzed
2004). The Tm difference between both neuroglobins
through the two state model by Scatchard plots. The
is due to the fact that the mouse neuroglobins never
experimental results were confronted with the solution
form disulfide bridges, unlike human species that may
of Poisson-Boltzmann equation obtained from the cell
form. The lack of disulfide bridges raises the affinity
model.
of the distal histidine (E7), fact that is directly re-
These thermodynamic data show that the binding
lated to the higher thermal stability. This suggests
enthalpy increases with the increase polymer charge
that the hexa-coordination is the main responsible for
parameter. From these data it was verificad the ab-
this stability. In this work we will observe this behavior
sence of any kind of specific binding between calcium
of mouse and human neuroglobins through differential
and these polyelectrolytics, that the binding is territor-
scanning calorimetry (DSC) and test its reversibility.
ial and concluded that secondary structure of polyelec-
We thank: Fapesp, CNPq for financial support and
trolytics used influence in thermodynamic of binding
Dr Burmester for the NGBs plasmids donation
competitive of calcium in the presence of sodium.
The influence of dynamical fluctuations
The influence of secuncary structure in
thermodynamic of biding competitive of
calcium ions in the presence of sodium
ions in nucleic acids.
Valadares, I. T.1 , Fossey, M. A.
of calbindin D9k structure on its
electrostatic properties. A Molecular
Dynamics simulation and continuum
dielectric electrostatic study.
Vechi, S. M.1 , Silva, F. L. B.2
1. IQB - UFAL - CEP 57072-970 - Maceió - AL - Brasil
The alterations conformations of the nucleic acids are
important for the biological trial, for example, interac-
Intermolecular interactions and tertiary structure of
tion with proteins. It is also necessary for that events
proteins play an important role in many biological
as transition and translation occur. This events de-
events and can aid to understand the correlation be-
pend of the composition and alteration of environ-
tween structure and function. Using in silico site di-
ment, such as constant dielectric, ionic force and also
rected mutagenesis we can change these interactions
of the interactions electrostatic of these macromole-
to investigate the structure and dynamics of these
cule biological.
biomolecules. We have carried out 4 ns molecular
The nucleic acids used were the DNA in the usual
dynamics (MD) simulations for the protein calbindin
B conformation and the single-stranded and the syn-
D9k (CAB) with its ligands loaded in the presence of
thetic polyribonucleic acid poly(rI).poly(rC) in the A
explicit water and counter-ions. The starting struc-
conformation.
Stability were accessed through the
ture coordinates were the x-ray structure 3ICB and
competitive binding of Ca2+ ions in the presence
designed mutants which were created changing the
of Na+ ions. The experimental binding isotherms,
negatively charged residues glutamate (E) of the bind-
obtained from spectrophotometric titrations using a
ing pocket by polar and neutral ones as glutamine (Q)
23
and glycine (G). In this sense, we have investigated
changes of the heterodimeric configuration of crotoxin
the wild-type (W), E17Q, E60Q and E60G CAB mole-
at different pHs were monitored by Small Angle X-ray
cules in theirs holo forms plus the apo form of E60Q.
Scattering, which provides important structural data
Our analysis focuses on structure, dynamics and the
to understand the mechanism involved in its toxic ef-
electrostatic component of the free energy of binding,
fects. The preliminary results indicates an open-closed
with a special attention given to the mutation E60Q.
conformation of the heterodimer as a function of pH
Our findings emphasize the importance of the inter-
and the phospholipase A2 domain alone tends to form
action between the ligand and the negative carboxyl
a homodimer in solution.
oxygen of amino acid residue 60, and indicate some
deficiencies of x-ray structures for theoretical calculations. Moreover, the length of side-chain of residue 60
was found important for the maintenance of the ligand
in site I. Even though this can help for maintaining the
ligand bound, as noticed by the similar behavior of W
and E60Q molecules, this could not be efficient to cap-
Sequence optmization and the
thermodynamics of lattice
heteropolymers by Wang-Landau
sampling
Yoshida, M.1 , Beig, F. B.
ture the ligand considering an apo form of protein due
1. Departamento de Fı́sica-Instituto de Geociências e
to the absent of a charged group, but this need future
Ciências Exatas de Rio Claro - UNESP - CEP 13500-970
investigation. A particularly interesting result is that
- Rio Claro - SP - Brasil
experimental controversies between W and E60Q can
be explained by the fact that these molecules exhibit
very small differences on free energy of binding.
We have applied the Wang Landau (WL) algorithm to
both optimize the design of sequences and to calculate
the thermodynamic properties of designed heteropoly-
Structural Studies in Solution of
Crotoxin by Small Angle X-ray
meric chains in a cubic lattice. The WL approach is a
Monte Carlo method based on the flat hystogram sampling on the energy space which directly simulates the
Scattering
Viçoti, M. M.1 , Murakami, M. T., Arni, R. K.,
density of states of the system. For sequence optimization, the density of states gives the spectra of possible
Abrego, J. R. B.
sequences of monomers that fit a target structure. It
is possible to identify one or more optimized sequences
that folds to this nondegenerated structure which has
Crotoxin, a heterodimeric toxin isolated from Crotalus
durissus terrificus venom, possess strong neurotoxic
and hemolytic activities. Crotoxin comprises a basic
phospholipase A2 domain and an acid non-catalytic
domain so called as crotapotin.
The toxic effects
of phospholipase A2 domain is 100-fold more potent
in the presence of crotapotin. The conformational
24
the lowest energy. A random walk in the energy and
conformational space gives the density of state which
enable us to calculate all the thermodynamics of folding. We present a set of simple optimized sequences
and their thermodynamics properties.
Lista de Participantes
List of Participants
Adriane Michele Xavier Prado
Aurelio Izuka Zanelato
UNESP
São José do Rio Preto - SP - Brasil
UNESP
Bruna Virginia Neves
UNESP
Adriano Brant Favarin
UNESP
Bruno Henrique Golfette
USP
Alessandra Renata Lente da Silva
São Paulo - SP - Brasil
UNESP
Carlos E. Sampaio Nogueira
UNESP
Alexandre Costa do Sim
UNESP
César A. Sangaletti Terçariol
Rio Claro - SP - Brasil
USP
Alexandre Derivi
Ribeirão Preto - SP - Brasil
UFRGS
César Augusto Sangaletti
Porto Alegre - RS - Brasil
USP
Alexandre Souto Martinez
USP
Christopher Carvalho Oliveira
UNESP
Ana Helena Casé
UNESP
Cristiane Oliveira
UNESP
Ana Lúcia Ferrarezi
UNESP
Daiana Evelin Martil
UNESP
André Luiz Galo
UNESP
Daniel Koga
UNESP
André Luiz Martins
UNESP
Daniella Oliveira
UNESP
Angelica Nakagawa Lima
UNESP
Débora Noma Okamoto
UNESP
Augusto A. Neto
UNESP
Denise Arruda
UNESP
25
Denise Melo
Flávio Luiz de Moraes Barboza
UNESP
UNESP
Diego Nolasco
Franciele Polotto
UNESP
UNESP
Diego Samuel Rodrigues
Gabriel Gouvêa Slade
UNESP
UNESP
Eduardo Gonçalves
Gisele Baldissera
UNESP
UNESP
Eduardo Soares
Gisele Bosso de Freitas
UNESP
UNESP
Eloi Feitosa
Gláucia R. P. Borges Castro
UNESP
F.E.F.
Fernandópolis - SP - Brasil
Eric Allison Philot
Henrique dos Reis Miguel
UNESP
UNESP
Ernando Silva Ferreira
Hernan O. Cortez Gutierrez
USP
Universidad Nacional del Callao
Callao - Peru
Esteban Guevara
Irene Valadares
Escuela Politécnica Nacional
UNESP
Quito - Equador
Fernanda Rosa Alves
Isadora Picola
UNESP
UNESP
Fernando C. Moreira Vacari
Jacyana Fonseca
UNESP
UNESP
Fernando César Lopes
Joane K. R. Rustiguel
UNESP
UNESP
Fernando L. Barroso da Silva
Johnny R. Olivieri
USP
UNESP
26
Jorge Chahine
Magno Viçoti
UNESP
UNESP
Jorge Rocha
Makoto Yoshida
UNESP
UNESP
José Antonio Fornes
Marcelo Alves Pereira
UFG
USP
Goiânia - GO - Brasil
José Ramon B. Abrego
Marcelo T. Araújo
UNESP
UNESP
Karina Paulino
Marcia Cabrera
UNESP
UNESP
Laiana Cristina Costa
Marcia Martins Szortyka
UNESP
UFRGS
Porto Alegre - RS - Brasil
Leandro Cristante De Oliveira
Marcio V.b. Dias
UNESP
UNESP
Leonardo Da Silva Lessa
Marcos Alexandre Polizelli
UNESP
UNESP
Letı́cia M. Zanphorlin
Mariane Lopes de Paiva
UNESP
UNESP
Lı́via Faim
Marinônio L. Cornélio
UNESP
UNESP
Luciana Puia Moro
Mário Murakami
UNESP
UNESP
Luciane Sussuchi
Mário N. Tamashiro
UNESP
UNICAMP
Campinas - SP - Brasil
Luis Paulo Scott
Marisa de Aguiar
UNIFEV
UNESP
Votuporanga - SP - Brasil
27
Marlos Fávaro
Poliana Roberta de Barros
UNESP
UNICAMP
Campinas - SP - Brasil
Matheus Sacilotto de Moura
Priscilla Tosqui
UNESP
UNESP
Piracicaba - SP - Brasil
Michely Cristina da Silveira
Rafael Musa Lyrio do Valle
UNESP
UNESP
Mônica Campiteli
Rafael Nascimento
USP
UNESP
Natália Bueno Leite
Renato Caetano
UNESP
UNESP
Natália Favaro
Renato Tadeu Gaspar
UNESP
UNESP
Nayara Moreira
Ricardo Silva
UNESP
UNESP
Osmar Caôn Filho
Rita de Cássia Dos Anjos
FEF
UNESP
Fernandópolis - SP - Brasil
Osmel Martin
Roberto Carlos Álvarez Martins
Universidad Central de Las Villas
UNAM
Santa Clara - Cuba
México - Mexico
Pablo Gonzales-Ormeño
Rodrigo Fernandes Bueno
Universidad Nacional Federico Vilarreal
UNESP
Lima - Peru
Pamela Mollinedo
Ronaldo Júnio de Oliveira
Universidad Nacional Autonoma de México
UNESP
México - Mexico
Patricia Peres Polizelli
Rosa Cristina Capitão
UNESP
UNESP
Paulo da Cunha Camillo
Samantha S. Okada
UNESP
UNESP
28
Sérgio Vechi
UFAL
Maceió - AL - Brasil
Sidney Jurado de Carvalho
UNESP
Tamára Valder
UNESP
Tereza Pereira de Souza
UNESP
Thaı́s Azevedo Enoki
UNESP
Valmir Fadel
UNESP
Vander J. Berti Filho
UNESP
Botucatu - SP - Brasil
Vitor B. P. Leite
UNESP
Wilnice Oliveira
USP
29
Índice de Autores / Authors Index
A
Dias, M .V. B., 18
Abrego, J. R. B., 24
Dias, M. V. B., 7, 14
Aguiar, M. B., 1
Durigan, P. T., 4
E
Alves, F. R., 1
Ely, F., 7
Alves, N. A., 11
F
Anjos, R. C., 2
Arenzon, J., 21
Facchini, F. D. A., 18
Arni, R. K., 13, 15, 24
Fadel, V., 1, 3, 14, 18
Azevedo Jr. W. F., 1
Faim, L. M., 7
Azevedo Jr., W. F., 7, 10, 14, 18, 19
Feitosa, E., 1, 4, 8, 17
B
Ferrarezi, A. L., 8
Barbetta, C. R., 21
Fertonani, I. A. P., 15
Barbosa, M., 21
Filho, E. D., 2, 6, 20
Barboza, F. L. M., 2
Fornés, J. A., 9
Fossey, M. A., 15, 23
Basso, L. A., 7, 14, 18
G
Batista, P. D., 4
Bonilla-Rodriguez, G. O., 8, 12, 15, 18
Galo, A. L., 9
Bordim, I., 7
González, R. S., 22
Broggio, S. T., 11
Gonzales-Ormeño, P. G., 10
Guevara, E., 10
Bruni, A. T., 13
H
Bueno, R. F., 3
H
Henriques, V. B., 21
Beig, F. B., 24
J
Cabral, H., 12, 15, 18
K
C
Jönson, B., 19
Kinouchi, O., 4
Cabreira, M. P. S., 14
L
Cabrera, M. P. S., 3
Camilo, P. C., 4
Lamy, M. T. M., 21
Campiteli, M., 4
Leite, V. B. P., 13, 16
Canduri, F., 19
Lundi, M., 19
M
Capitão, R. C., 5
Carosio, P. A. C., 4
Martil, D. E., 10
Carvalho, S. J., 5
Martinez, A. S., 4, 11, 22
Casé, A. H., 5, 17
Martins, A. L., 11
Castro, G. R. P. B., 6
Melo, D., 11
Cavada, B. S., 10
Mendonça, J. D., 14
Cavalcante, V. R. O., 17
Mollinedo, P., 12
Chahine, J., 11, 16, 19
Moreno, F. B. M. B., 10
Cintra, A. C. O., 15
Moro, L. P., 12, 18
Colombo, M. F., 5, 9, 22
Murakami, M. T., 13, 24
N
Cortinóz, J. R., 14
Costa, A. J., 2
Nascimento, R. R., 13
D
Nogueira, C. E. S., 1, 13
30
Nolasco, D., 14
O
Z
Zárate, J. M. O., 9
Okada, S. S., 14
Okamoto, D. N., 15
Oliveira, D., 15
Oliveira, J. S., 7
Oliveira, L. C., 16
Oliveira, R. J., 16
Ortiz, R. S., 12
Ouchi, R. Y., 15
P
Paiva, M. L., 13
Palma, M. S., 1, 3
Peres, P., 12, 15
Pertinhez, T. A., 1
Petrilli, H. M., 10
Picola, I., 17
Picola, I. P. D., 5
Polizelli, M. A., 17
Polizelli, P. P., 18
Prado, A. M. X., 18
R
Ribeiro, N., 2
Ribeiro, S. P., 1
Ricotta, R. M., 2
Rosado, M. C. P. M., 12
Ruggiero Neto, J., 3
Ruggiero, J. R., 11, 19, 20
S
Santos, B. B., 7, 14
Santos, D. S., 7, 14, 18
Schon, C. G., 10
Scott, L. P., 19
Serrano, S. M. T., 15
Silva, A. R. L., 19
Silva, F. L. B., 5, 19, 23
Silva, R. A. S., 20
Souza, B. M., 3
Souza, T. P., 20
Szortyka, M. M., 21
T
Tamashiro, M. N., 21
Terçariol, C. A. S., 22
Tiera, M. J., 5, 15, 17
Tiera, V. A. O., 15
Tosqui, P., 22
V
Valadares, I. T., 23
Vasconcelos, I. B., 18
Vechi, S. M., 23
Viçoti, M. M., 24
Y
Yoshida, M., 24
31
Mapa do IBILCE
32

XXXVII Escola Latino-americana de F´ısica

Transcrição

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