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1.
An Acad Bras Cienc ; 93(2): e20190565, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34259790

RESUMO

The aging process of reservoirs has been extensively investigated; however, little is known about how fish populations are adjusted after many years of impoundment. Thus, this study aimed to compare the diet, length-weight relationship, sizes classes, variation in size, and age of Astyanax lacustris Lütken, 1875 collected from lotic and lentic habitats of an aging reservoir. The study group consisted of 730 captured fishes. We found that specimens collected from lotic habitats had a wider range of size classes (1.0 to 12.0 cm), were linked to a high frequency of juveniles (48.7%), and had greater feeding activity (higher stomach fullness). In contrast, fishes collected from lentic environments exhibited high rates of capture (78.4%), increased frequency of adults (87.3%), and higher values of mean standard length. The length-weight relationship indicated that lentic fishes were heavier than fish collected from lotic areas. Moreover, we observed 37 food items in A. lacustris diet, mainly plant material, algae, Cladocera, Hymenoptera, Coleoptera, and Ephemeroptera. Differences among the diet of fishes between sites were evidenced with Permanova (p < 0.05). Astyanax lacustris can be considered a persistent species in Chavantes Reservoir after aging, encountering conditions to complete its life span and adjusting to food resources.


Assuntos
Characidae , Caraciformes , Animais , Biologia , Dieta , Ecossistema , Peixes , Rios
2.
J Fish Biol ; 99(3): 1145-1149, 2021 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-34076255

RESUMO

In this study, the authors report morphological deformities in driftwood catfish Trachelyopterus galeatus (Auchenipteridae), an invasive catfish occurring in the Upper Paraná River basin, Brazil. The frequency of anomalous individuals reached 18.3% of all catches. X-ray images showed anomalies, or total absence of structures, in the pelvic girdle. The authors also observed the absence of the adipose fin and mental barbels. These findings are of extreme importance for evidencing the anthropogenic impact on aquatic communities as the region suffers within fragmentation by dams and pollution from several human activities. This sort of information can be used in management systems and environmental monitoring, especially to protect other species and the native fish assemblage.


Assuntos
Peixes-Gato , Animais , Brasil , Monitoramento Ambiental , Humanos , Rios
3.
Environ Manage ; 68(4): 445-452, 2021 10.
Artigo em Inglês | MEDLINE | ID: mdl-34341867

RESUMO

The Tocantins-Araguaia Basin is one of the largest river systems in South America, located entirely within Brazilian territory. In the last decades, capital-concentrating activities such as agribusiness, mining, and hydropower promoted extensive changes in land cover, hydrology, and environmental conditions. These changes are jeopardizing the basin's biodiversity and ecosystem services. Threats are escalating as poor environmental policies continue to be formulated, such as environmentally unsustainable hydropower plants, large-scale agriculture for commodity production, and aquaculture with non-native fish. If the current model persists, it will deepen the environmental crisis in the basin, compromising broad conservation goals and social development in the long term. Better policies will require thought and planning to minimize growing threats and ensure the basin's sustainability for future generations.


Assuntos
Ecossistema , Rios , Animais , Biodiversidade , Conservação dos Recursos Naturais , Política Ambiental
4.
Genet Mol Biol ; 43(3): e20190352, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-32584918

RESUMO

Fish eggs are often excluded from identification analysis since at this stage of development there are few morphological characters. The correct identification of eggs can provide important information about spawning areas of species. The current work aimed to identify fish eggs in the Tibagi and Cinzas Rivers using the DNA barcode to obtain information on richness and diversity, adding to the existing data in the area. Of the 928 sequences analyzed using the BOLD Systems database, 99.78% were able to be identified at a specific level, demonstrating a high success rate for egg identification. The samples resulted in 25 species, 11 families, and 2 orders. Of the 25 species found, more than half (60%) present reproductive migration behavior, indicating that the tributaries of the Capivara reservoir are being used as a migratory route by these species. Eggs of rare and endangered species were found, indicating these tributaries as spawning grounds for these species. The results demonstrate the importance of identifying fish eggs in reservoir-influenced environments to recognize breeding areas of native and endangered species, as well as the importance of the Tibagi and Cinzas Rivers for the maintenance of native fish species in the Paranapanema River.

5.
J Membr Biol ; 252(4-5): 317-329, 2019 10.
Artigo em Inglês | MEDLINE | ID: mdl-31098677

RESUMO

The resistance of pathogens to traditional antibiotics is currently a global issue of enormous concern. As the discovery and development of new antibiotics become increasingly challenging, synthetic antimicrobial lipopeptides (AMLPs) are now receiving renewed attention as a new class of antimicrobial agents. In contrast to traditional antibiotics, AMLPs act by physically disrupting the cell membrane (rather than targeting specific proteins), thus reducing the risk of inducing bacterial resistance. In this study, we use microsecond-timescale atomistic molecular dynamics simulations to quantify the interaction of a short AMLP (C16-KKK) with model bacterial lipid bilayers. In particular, we investigate how fundamental transmembrane properties change in relation to a range of lipopeptide concentrations. A number of structural, mechanical, and dynamical features are found to be significantly altered in a non-linear fashion. At 10 mol% concentration, lipopeptides have a condensing effect on bacterial bilayers, characterized by a decrease in the area per lipid and an increase in the bilayer order. Higher AMLP concentrations of 25 and 40 mol% destabilize the membrane by disrupting the bilayer core structure, inducing membrane thinning and water leakage. Important transmembrane properties such as the lateral pressure and dipole potential profiles are also affected. Potential implications on membrane function and associated proteins are discussed.


Assuntos
Peptídeos Catiônicos Antimicrobianos/química , Bactérias/química , Membrana Celular/química , Bicamadas Lipídicas/química , Lipopeptídeos/química , Modelos Químicos , Peptídeos Catiônicos Antimicrobianos/metabolismo , Bactérias/metabolismo , Membrana Celular/metabolismo , Bicamadas Lipídicas/metabolismo , Lipopeptídeos/metabolismo
6.
Soft Matter ; 14(42): 8496-8508, 2018 Oct 31.
Artigo em Inglês | MEDLINE | ID: mdl-30346462

RESUMO

Passive permeation through lipid membranes is an essential process in biology. In vivo membranes typically consist of mixtures of lamellar and nonlamellar lipids. Lamellar lipids are characterized by their tendency to form lamellar sheet-like structures, which are predominant in nature. Nonlamellar lipids, when isolated, instead form more geometrically complex nonlamellar phases. While mixed lamellar/nonlamellar lipid membranes tend to adopt the ubiquitous lamellar bilayer structure, the presence of nonlamellar lipids is known to have profound effects on key membrane properties, such as internal distributions of stress and elastic properties, which in turn may alter related biological processes. This work focuses on one such process, i.e., permeation, by utilising atomistic molecular dynamics simulations in order to obtain transfer free energy profiles, diffusion profiles and permeation coefficients for a series of thirteen small molecules and drugs. Each permeant is tested on two bilayer membranes of different lipid composition, i.e., purely lamellar and mixed lamellar/nonlamellar. Our results indicate that the presence of nonlamellar lipids reduces permeation for smaller molecules (molecular weight < 100) but facilitates it for the largest ones (molecular weight > 100). This work represents an advancement towards the development of more realistic in silico permeability assays, which may have a substantial future impact in the area of rational drug design.


Assuntos
Permeabilidade da Membrana Celular , Lipídeos de Membrana/química , Lipídeos de Membrana/metabolismo , Difusão , Ligação de Hidrogênio , Termodinâmica
7.
Biochim Biophys Acta ; 1843(12): 3065-74, 2014 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-25261707

RESUMO

We have previously established a yeast model of mitochondrial (mt) diseases. We showed that defective respiratory phenotypes due to point-mutations in mt tRNA(Leu(UUR)), tRNA(Ile) and tRNA(Val) could be relieved by overexpression of both cognate and non-cognate nuclearly encoded mt aminoacyl-tRNA synthetases (aaRS) LeuRS, IleRS and ValRS. More recently, we showed that the isolated carboxy-terminal domain (Cterm) of yeast mt LeuRS, and even short peptides derived from the human Cterm, have the same suppressing abilities as the whole enzymes. In this work, we extend these results by investigating the activity of a number of mt aaRS from either class I or II towards a panel of mt tRNAs. The Cterm of both human and yeast mt LeuRS has the same spectrum of activity as mt aaRS belonging to class I and subclass a, which is the most extensive among the whole enzymes. Yeast Cterm is demonstrated to be endowed with mt targeting activity. Importantly, peptide fragments ß30_31 and ß32_33, derived from the human Cterm, have even higher efficiency as well as wider spectrum of activity, thus opening new avenues for therapeutic intervention. Bind-shifting experiments show that the ß30_31 peptide directly interacts with human mt tRNA(Leu(UUR)) and tRNA(Ile), suggesting that the rescuing activity of isolated peptide fragments is mediated by a chaperone-like mechanism. Wide-range suppression appears to be idiosyncratic of LeuRS and its fragments, since it is not shared by Cterminal regions derived from human mt IleRS or ValRS, which are expected to have very different structures and interactions with tRNAs.

8.
J Comput Chem ; 34(10): 803-18, 2013 Apr 05.
Artigo em Inglês | MEDLINE | ID: mdl-23280763

RESUMO

Coarse grain (CG) molecular models have been proposed to simulate complex systems with lower computational overheads and longer timescales with respect to atomistic level models. However, their acceleration on parallel architectures such as graphic processing units (GPUs) presents original challenges that must be carefully evaluated. The objective of this work is to characterize the impact of CG model features on parallel simulation performance. To achieve this, we implemented a GPU-accelerated version of a CG molecular dynamics simulator, to which we applied specific optimizations for CG models, such as dedicated data structures to handle different bead type interactions, obtaining a maximum speed-up of 14 on the NVIDIA GTX480 GPU with Fermi architecture. We provide a complete characterization and evaluation of algorithmic and simulated system features of CG models impacting the achievable speed-up and accuracy of results, using three different GPU architectures as case studies.


Assuntos
Algoritmos , Simulação de Dinâmica Molecular , Processamento de Sinais Assistido por Computador
9.
Curr Res Microb Sci ; 3: 100102, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-35005660

RESUMO

Brenneria goodwinii, Rahnella victoriana and Gibbsiella quercinecans are three bacterial species frequently isolated together from oak displaying symptoms of Acute Oak Decline (AOD), which include weeping patches on trunks. All three bacterial species play a role in lesion formation in the current episode of AOD in Britain, although B. goodwinii is the most dominant. The ongoing research into stem lesion formation characteristic of this polybacterial syndrome has been focussed primarily on the pathogenicity, identification and taxonomy of these bacteria. As all three species were newly classified within the past ten years, there are many unanswered questions regarding their ecology and interactions with each other. To determine the effect of bacterial interactions on fitness in vitro, we examined pairwise (diculture) and multispecies (triculture) interactions between B. goodwinii, R. victoriana and G. quercinecans in oak leaf media microcosms. Additionally, the effect of co-culturing on the evolution of these species was determined and the evolved B. goodwinii strains were examined further by whole genome sequencing. Our results indicate that B. goodwinii thrived in monoculture with significantly higher viable cell counts than the other two species. Additionally, B. goodwinii performed well in pairwise culture with mutually competitive interactions observed between B. goodwinii and R. victoriana, and between B. goodwinii and G. quercinecans. In the multispecies triculture, B. goodwinii and R. victoriana appeared to exhibit co-ordinated behaviour to outcompete G. quercinecans. After four weeks B. goodwinii grown in co-culture with the other two species developed greater evolved fitness than the strain grown in monoculture as reflected by the increased viable cell counts. The competitive interactions taking place between the threes species indicated evolving improved fitness of B. goodwinii in vitro, that gave it a growth advantage over both R. victoriana and G. quercinecans which showed no significant changes in fitness. Overall, B. goodwinii gains greater benefit in terms of fitness from in vitro competitive interaction with the other two species.

10.
Biophys J ; 99(7): 2190-9, 2010 Oct 06.
Artigo em Inglês | MEDLINE | ID: mdl-20923653

RESUMO

Microtubules are supramolecular structures that make up the cytoskeleton and strongly affect the mechanical properties of the cell. Within the cytoskeleton filaments, the microtubule (MT) exhibits by far the highest bending stiffness. Bending stiffness depends on the mechanical properties and intermolecular interactions of the tubulin dimers (the MT building blocks). Computational molecular modeling has the potential for obtaining quantitative insights into this area. However, to our knowledge, standard molecular modeling techniques, such as molecular dynamics (MD) and normal mode analysis (NMA), are not yet able to simulate large molecular structures like the MTs; in fact, their possibilities are normally limited to much smaller protein complexes. In this work, we developed a multiscale approach by merging the modeling contribution from MD and NMA. In particular, MD simulations were used to refine the molecular conformation and arrangement of the tubulin dimers inside the MT lattice. Subsequently, NMA was used to investigate the vibrational properties of MTs modeled as an elastic network. The coarse-grain model here developed can describe systems of hundreds of interacting tubulin monomers (corresponding to up to 1,000,000 atoms). In particular, we were able to simulate coarse-grain models of entire MTs, with lengths up to 350 nm. A quantitative mechanical investigation was performed; from the bending and stretching modes, we estimated MT macroscopic properties such as bending stiffness, Young modulus, and persistence length, thus allowing a direct comparison with experimental data.


Assuntos
Elasticidade , Microtúbulos/metabolismo , Modelos Biológicos , Anisotropia , Simulação de Dinâmica Molecular , Multimerização Proteica , Padrões de Referência , Tubulina (Proteína)/química
11.
J Phys Chem B ; 113(35): 12019-29, 2009 Sep 03.
Artigo em Inglês | MEDLINE | ID: mdl-19663489

RESUMO

The transmembrane permeation of eight small (molecular weight <100) organic molecules across a phospholipid bilayer is investigated by multiscale molecular dynamics simulation. The bilayer and hydrating water are represented by simplified, efficient coarse-grain models, whereas the permeating molecules are described by a standard atomic-level force-field. Permeability properties are obtained through a refined version of the z-constraint algorithm. By constraining each permeant at selected depths inside the bilayer, we have sampled free energy differences and diffusion coefficients across the membrane. These data have been combined, according to the inhomogeneous solubility-diffusion model, to yield the permeability coefficients. The results are generally consistent with previous atomic-level calculations and available experimental data. Computationally, our multiscale approach proves 2 orders of magnitude faster than traditional atomic-level methods.


Assuntos
Bicamadas Lipídicas/metabolismo , Fosfolipídeos/química , Algoritmos , Biofísica/métodos , Simulação por Computador , Difusão , Modelos Moleculares , Modelos Estatísticos , Conformação Molecular , Peso Molecular , Permeabilidade , Solubilidade , Termodinâmica , Água/química
12.
J Mol Model ; 25(3): 76, 2019 Feb 26.
Artigo em Inglês | MEDLINE | ID: mdl-30806797

RESUMO

The physical properties of lipid bilayers are sensitive to the specific type and composition of the lipids that make up the many different types of cell membranes. Studying model bilayers of representative heterogeneous compositions can provide key insights into membrane functionality. In this work, we use atomistic molecular dynamics simulations to characterize key properties in a number of bilayer membranes of varying composition. We first examine basic properties, such as lipid area, volume, and bilayer thickness, of simple, homogeneous bilayers comprising several lipid types, which are prevalent in biological membranes. Such lipids are then used in simulations of heterogeneous systems representative of bacterial, mammalian, and cancer membranes. Our analysis is especially focused on depth-dependent, transmembrane profiles; in particular, we calculate lateral pressure and dipole potential profiles, two fundamental properties which play key roles in a large number of biological functions.

13.
Biota Neotrop. (Online, Ed. ingl.) ; 24(2): e20241645, 2024.
Artigo em Inglês | LILACS-Express | LILACS | ID: biblio-1564050

RESUMO

Abstract Biological invasions are one of the major threats to biodiversity and good quality of life, resulting from the translocation of species by human action. There are more than 500 alien species currently invading ecosystems in Brazil, particularly plants and fishes, while little is known about invasive microorganisms. Although invasive alien species are present in all ecosystems in the country, most have been recorded in habitats with greater human interference, such as urban and peri-urban areas, farmland, dams, reservoirs, ports, and canals. Historically, the southern and southeastern regions of Brazil have had more invasive alien species, but there has been an increase in the number of invasive alien species in the central-western and northern regions in recent decades. The ornamental trade of plants and fishes as well as the illegal pet trade of wild mammals and reptiles are some of the main pathways for invasive species introduction and spread in Brazil. Breeding and cultivation systems that allow escape to natural areas are a relevant route of species introductions in freshwater ecosystems, while unintentional introductions from shipping and infrastructure are of extreme concern in marine ecosystems. The negative impacts of invasive alien species on the biota mainly include changes in community structure and local decrease in native species richness, mediated by predation, competition, and ecosystem changes. Most negative impacts are recorded for intentionally introduced species, such as fishes and plants, but unintentional introductions have led to impacts on good quality of life, with associated costs and impacts on human health. The management of biological invasions faces challenges that need to be overcome, such as the lack of public knowledge about the impact of invasive alien species, the popular appeal of charismatic invasive species or those used by humans, and the use of controversial control techniques. However, successful experiences of eradication and control in terrestrial and marine ecosystems have been recorded, some of them involving public engagement in management actions. Recognizing the issue as a cross-cutting public policy and developing ongoing governance experiences are fundamental goals for the management of invasive alien species in Brazil.


Resumo Invasões biológicas são uma das maiores ameaças à biodiversidade e à boa qualidade de vida, ocorrendo a partir da translocação de espécies por ação humana. Existem mais de 500 espécies exóticas invadindo ecossistemas atualmente no Brasil, com destaque para plantas e peixes. Pouco se sabe sobre microrganismos invasores. Apesar de existirem espécies exóticas invasoras em todos os ecossistemas no país, a maior parte dos registros foi feita em hábitats com maior interferência humana, como áreas urbanas, periurbanas, terras cultivadas, represas, reservatórios, portos e canais. Historicamente, as regiões sul e sudeste do Brasil apresentam mais espécies exóticas invasoras, mas nas últimas décadas se tem observado um aumento no número de espécies exóticas invasoras nas regiões centro-oeste e norte. O comércio de plantas e peixes ornamentais, assim como o comércio ilegal de mamíferos e répteis silvestres como animais de estimação são algumas das principais vias de introdução e disseminação de espécies exóticas invasoras no Brasil. Sistemas de criação e cultivo que possibilitam o escape para áreas naturais são uma relevante via de introdução em ecossistemas de águas continentais, enquanto introduções não intencionais a partir de navegação e de infraestrutura são de extrema preocupação em ecossistemas marinhos. Os impactos negativos de espécies exóticas invasoras sobre a biota incluem principalmente alterações na estrutura de comunidades e diminuição local da riqueza de espécies nativas, mediados por predação, competição e modificações ecossistêmicas. A maior parte dos impactos negativos registrados ocorreram para espécies introduzidas intencionalmente, como peixes e plantas, mas introduções não intencionais têm levado a impactos na boa qualidade de vida, com custos associados e impactos sobre a saúde humana. A gestão de invasões biológicas esbarra em desafios a serem superados, tais como a falta de conhecimento do público sobre o impacto de espécies exóticas invasoras, o apelo popular de espécies invasoras carismáticas ou utilizadas por humanos e o emprego de técnicas controversas de controle. Entretanto, experiências bem-sucedidas de erradicação e controle em ecossistemas terrestres e marinhos têm sido registrados, alguns deles envolvendo engajamento público nas ações de manejo. Reconhecer o tema como uma política pública transversal e desenvolver experiências continuadas de governança são metas fundamentais para a gestão e o manejo de espécies exóticas invasoras no Brasil.

14.
J Phys Chem B ; 112(3): 657-60, 2008 Jan 24.
Artigo em Inglês | MEDLINE | ID: mdl-18163606

RESUMO

Coarse-grain models are becoming an increasingly important tool in computer simulations of a wide variety of molecular processes. In many instances it is, however, desirable to describe key portions of a molecular system at the atomic level. There is therefore a strong interest in the development of simulation methodologies that allow representations of matter with mixed granularities in a multiscale fashion. We report here a strategy to conduct mixed atomic-level and coarse-grain simulations of molecular systems with a recently developed coarse-grain model. The methodology is validated by computing partition coefficients of small molecules described in atomic detail and solvated by water or octane, both of which are represented by coarse-grain models. Because the present coarse-grain force field retains electrostatic interactions, the simplified solvent particles can interact realistically with the all-atom solutes. The partition coefficients computed by this approach rival the accuracy of fully atomistic simulations and are obtained at a fraction of their computational cost. The present methodology is simple, robust and applicable to a wide variety of molecular systems.

15.
J Phys Chem B ; 112(3): 802-15, 2008 Jan 24.
Artigo em Inglês | MEDLINE | ID: mdl-18085766

RESUMO

A simplified particle-based computer model for hydrated phospholipid bilayers has been developed and applied to quantitatively predict the major physical features of fluid-phase biomembranes. Compared with available coarse-grain methods, three novel aspects are introduced. First, the main electrostatic features of the system are incorporated explicitly via charges and dipoles. Second, water is accurately (yet efficiently) described, on an individual level, by the soft sticky dipole model. Third, hydrocarbon tails are modeled using the anisotropic Gay-Berne potential. Simulations are conducted by rigid-body molecular dynamics. Our technique proves 2 orders of magnitude less demanding of computational resources than traditional atomic-level methodology. Self-assembled bilayers quantitatively reproduce experimental observables such as electron density, compressibility moduli, dipole potential, lipid diffusion, and water permeability. The lateral pressure profile has been calculated, along with the elastic curvature constants of the Helfrich expression for the membrane bending energy; results are consistent with experimental estimates and atomic-level simulation data. Several of the results presented have been obtained for the first time using a coarse-grain method. Our model is also directly compatible with atomic-level force fields, allowing mixed systems to be simulated in a multiscale fashion.


Assuntos
Dimiristoilfosfatidilcolina/química , Bicamadas Lipídicas/química , Água/química , Simulação por Computador , Difusão , Fluidez de Membrana , Modelos Moleculares , Tamanho da Partícula , Permeabilidade , Eletricidade Estática , Termodinâmica
16.
Ambio ; 47(4): 427-440, 2018 May.
Artigo em Inglês | MEDLINE | ID: mdl-29306998

RESUMO

The Convention on Biological Diversity proposed the Aichi Biodiversity Targets to improve conservation policies and to balance economic development, social welfare, and the maintenance of biodiversity/ecosystem services. Brazil is a signatory of the Aichi Biodiversity Targets and is the most diverse country in terms of freshwater fish, but its national policies have supported the development of unsustainable commercial and ornamental aquaculture, which has led to serious disturbances to inland ecosystems and natural resources. We analyzed the development of Brazilian aquaculture to show how current aquaculture expansion conflicts with all 20 Aichi Targets. This case suggests that Brazil and many other megadiverse developing countries will not meet international conservation targets, stressing the need for new strategies, such as the environmental management system, to improve biodiversity conservation.


Assuntos
Aquicultura , Biodiversidade , Conservação dos Recursos Naturais , Animais , Brasil , Ecossistema , Água Doce
17.
Biomech Model Mechanobiol ; 6(6): 399-407, 2007 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-17115122

RESUMO

Alpha-actinin is a cytoskeleton-binding protein involved in the assembly and regulation of the actin filaments. In this work molecular dynamics method was applied to investigate the mechanical behaviour of the human skeletal muscle alpha-actinin. Five configurations were unfolded at an elongation speed of 0.1 nm/ps in order to investigate the conformational changes occurring during the extension process. Moreover, a sensitivity analysis at different velocities was performed for one of the R2-R3 spectrin-like repeat configuration extracted in order to evaluate the effect of the pulling speed on the mechanical behaviour of the molecule. Two different behaviours were recognized with respect to the pulling speed. In particular, at speed higher than 0.025 nm/ps a continuous rearrangement without evident force peaks was obtained, on the contrary at lower speed evident peaks in the range 500-750 pN were detected. R3 repeat resulted more stable than R2 during mechanical unfolding, due to the lower hydrophobic surface available to the solvent. The characterization of the R2-R3 units can be useful for the development of cytoskeleton network models based on stiffness values obtained by analyses performed at the molecular level.


Assuntos
Actinina/química , Actinina/metabolismo , Modelos Moleculares , Dobramento de Proteína , Actinina/ultraestrutura , Fenômenos Biomecânicos , Simulação por Computador , Dimerização , Humanos , Ligação de Hidrogênio , Interações Hidrofóbicas e Hidrofílicas , Microscopia de Força Atômica , Desnaturação Proteica , Estrutura Secundária de Proteína , Estrutura Terciária de Proteína , Solventes , Relação Estrutura-Atividade , Termodinâmica
18.
J Phys Chem B ; 121(41): 9597-9606, 2017 10 19.
Artigo em Inglês | MEDLINE | ID: mdl-28926699

RESUMO

The response of lipid membranes to changes in external pressure is important for many biological processes, and it can also be exploited for technological applications. In this work, we employ all-atom molecular dynamics simulations to characterize the changes in the physical properties of phospholipid bilayers brought about by high pressure (1000 bar). In particular, we study how the response differs, in relation to different chain unsaturation levels, by comparing monounsaturated 1-palmitoyl-2-oleoyl-phosphatidylcholine (POPC) and biunsaturated dioleoyl-phosphatidylcholine (DOPC) bilayers. Various structural, mechanical, and dynamical features are found to be altered by the pressure increase in both bilayers. Notably, for most properties, including bilayer area and thickness, lipid order parameters, lateral pressure profile, and curvature frustration energy, we observe significantly more pronounced effects for monounsaturated POPC than biunsaturated DOPC. Possible biological implications of the results obtained are discussed, especially in relation to how different lipids can control the structure and function of membrane proteins.


Assuntos
Bicamadas Lipídicas/química , Fosfatidilcolinas/química , Difusão , Elasticidade , Simulação de Dinâmica Molecular , Pressão , Termodinâmica , Água/química
19.
Biota Neotrop. (Online, Ed. ingl.) ; 22(4): e20221412, 2022. tab, graf
Artigo em Inglês | LILACS-Express | LILACS | ID: biblio-1420324

RESUMO

Abstract Until now no study has used a defaunation index to quantify the decline of Neotropical freshwater fishes in environments fragmented by dams and reservoirs. So, we applied this index to 143 native fish in five reservoirs in the Lower Paranapanema River, that is situated in one of the Brazilian aquatic environments most impacted by anthropic degradation. Fish species were classified according to their functional groups, which were selected according to the biological characteristics that may reflect in defaunation events. The biggest reservoir in area with more tributaries and forest cover showed lowest defaunation index. The functional groups of fishes more affected by defaunation included species characterized by periphytivores, invertivores and algivores, non-migratory habit, with external fertilization, and parental care. Although reservoirs have different characteristics, this method can be tested in any other hydrographic basin. The results suggested continued conservation efforts to preserve the integrity of tributaries and the native fishes in reservoirs and pointed out the importance of maintaining native vegetation cover and fish restocking programs in the reservoirs with the highest defaunation values. Our finding can be use as the first data source for future studies using this defaunation index.


Resumo Até o momento nenhum estudo utilizou um índice de defaunação para quantificar o declínio de peixes neotropicais de água doce em ambientes fragmentados por barragens e reservatórios. Dessa forma, testamos esse índice em 143 espécies nativas em cinco reservatórios do baixo rio Paranapanema, que está localizado em um dos ambientes aquáticos brasileiros mais impactados pela degradação antrópica. As espécies de peixes foram classificadas de acordo com seus grupos funcionais selecionados de acordo com as características biológicas que podem influenciar nos eventos de defaunação. O maior reservatório em área, com mais tributários e maior cobertura florestal apresentou menor índice de defaunação. Os grupos funcionais mais afetados pela defaunação incluíram espécies caracterizadas por hábito alimentar perifitívoro, invertívoro e algívoro, hábito não migratório, com fertilização externa e cuidado parental. Embora os reservatórios tenham características diferentes, esse método pode ser testado em qualquer outra bacia hidrográfica. Os resultados sugerem esforços contínuos para preservar a integridade dos tributários e dos peixes nativos nos reservatórios e apontam a importância de manter a cobertura vegetal nativa e programas de estocagem nos reservatórios com maiores valores de defaunação. Nossos dados podem ser utilizados como a primeira base de dados para futuros estudos que utilizem o índice de defaunação.

20.
Bol. Inst. Pesca (Impr.) ; 47: e621, 2021. map, tab
Artigo em Inglês | VETINDEX | ID: biblio-1465512

RESUMO

Studies on length-weight relationships are of great importance in fishery assessments. These studies are substantial to evaluate fish population dynamics, and in communion with the relative condition factor, could provide an estimation of potential acting environmental conditions. In this paper, we evaluated the length-weight relationship and relative condition factor of small sized fish species. Fish were sampled quarterly between the years 2012-2013 and 2018-2020 in lagoons and tributaries of Rosana and Taquaruçu reservoirs, located at the lower Paranapanema River basin, Brazil. The standard length (SL) in millimeters and weight (W) in grams were measured, and the length-weight relationship was calculated using linear regression analysis (W = log (a) + b log (SL)). After, the relative condition factor (Kn) was calculated from the expression We = a.SLb. Thus, the length-weight relationships of 31 species were calculated in each environment considered, giving rise to 74 population allometric coefficients (b) and relative condition factors (Kn). As result, 24 bcoefficients were concentrated between 2.5 and 3.5 and seven were out of the confidence interval, while the 74 Kn values demonstrated close to the central mean and not statistical different. Our results are relevant to the conservation of fish fauna, improving knowledge regarding small-sized fish and those living environment.


Estudos sobre relações peso-comprimento são de grande importância nas avaliações de pesca. Esses estudos são substanciais para avaliar a dinâmica populacional de peixes e, em comunhão com a aplicação do fator de condição relativo, podem fornecer uma estimativa das condições ambientais potencialmente atuantes. Neste estudo, avaliamos a relação peso-comprimento e o fator de condição relativo de espécies de pequeno porte. Os peixes foram coletados trimestralmente entre os anos de 2012-2013 e 2018-2020 em lagoas e tributários dos reservatórios de Rosana e Taquaruçu, bacia do Baixo Rio Paranapanema, Brasil. O comprimento padrão (SL) em milímetros e o peso (W) em gramas foram mensurados, e a relação peso-comprimento foi calculada por meio de regressão linear (W = log (a) + b log (SL)). Em seguida, o fator de condição relativo (Kn) foi calculado a partir da expressão We = a.SLb. Assim, as relações peso-comprimento de 31 espécies foram mensuradas em cada ambiente estudado, dando origem a 74 coeficientes alométricos (b) e fatores de condição relativo (Kn) populacionais. Como resultado, 24 coeficientes b se concentraram entre 2,5 e 3,5 e sete fora deste intervalo de confiança, enquanto os valores de 74 Kn se mostraram próximos à média central e não estatisticamente diferentes. Nossos resultados são relevantes para a conservação da ictiofauna, contribuindo para o conhecimento sobre os peixes de pequeno porte e seu ambiente de vida.


Assuntos
Animais , Peixes/anatomia & histologia , Pesos e Medidas Corporais/veterinária
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