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1.
Annu Rev Biochem ; 90: 349-373, 2021 06 20.
Artigo em Inglês | MEDLINE | ID: mdl-33781075

RESUMO

Codon-dependent translation underlies genetics and phylogenetic inferences, but its origins pose two challenges. Prevailing narratives cannot account for the fact that aminoacyl-tRNA synthetases (aaRSs), which translate the genetic code, must collectively enforce the rules used to assemble themselves. Nor can they explain how specific assignments arose from rudimentary differentiation between ancestral aaRSs and corresponding transfer RNAs (tRNAs). Experimental deconstruction of the two aaRS superfamilies created new experimental tools with which to analyze the emergence of the code. Amino acid and tRNA substrate recognition are linked to phase transfer free energies of amino acids and arise largely from aaRS class-specific differences in secondary structure. Sensitivity to protein folding rules endowed ancestral aaRS-tRNA pairs with the feedback necessary to rapidly compare alternative genetic codes and coding sequences. These and other experimental data suggest that the aaRS bidirectional genetic ancestry stabilized the differentiation and interdependence required to initiate and elaborate the genetic coding table.


Assuntos
Aminoacil-tRNA Sintetases/genética , Aminoacil-tRNA Sintetases/metabolismo , Evolução Molecular , Código Genético , Seleção Genética , Aminoácidos/metabolismo , Aminoacil-tRNA Sintetases/química , Catálise , Genótipo , Fenótipo , Filogenia , Biossíntese de Proteínas , Dobramento de Proteína , Estrutura Secundária de Proteína , RNA de Transferência/genética , Termodinâmica
2.
Proc Natl Acad Sci U S A ; 121(35): e2408554121, 2024 Aug 27.
Artigo em Inglês | MEDLINE | ID: mdl-39172789

RESUMO

Biomolecules can be sequestered into membrane-less compartments, referred to as biomolecular condensates. Experimental and computational methods have helped define the physical-chemical properties of condensates. Less is known about how the high macromolecule concentrations in condensed phases contribute "solvent" interactions that can remodel the free-energy landscape of other condensate-resident proteins, altering thermally accessible conformations and, in turn, modulating function. Here, we use solution NMR spectroscopy to obtain atomic resolution insights into the interactions between the immature form of superoxide dismutase 1 (SOD1), which can mislocalize and aggregate in stress granules, and the RNA-binding protein CAPRIN1, a component of stress granules. NMR studies of CAPRIN1:SOD1 interactions, focused on both unfolded and folded SOD1 states in mixed phase and demixed CAPRIN1-based condensates, establish that CAPRIN1 shifts the SOD1 folding equilibrium toward the unfolded state through preferential interactions with the unfolded ensemble, with little change to the structure of the folded conformation. Key contacts between CAPRIN1 and the H80-H120 region of unfolded SOD1 are identified, as well as SOD1 interaction sites near both the arginine-rich and aromatic-rich regions of CAPRIN1. Unfolding of immature SOD1 in the CAPRIN1 condensed phase is shown to be coupled to aggregation, while a more stable zinc-bound, dimeric form of SOD1 is less susceptible to unfolding when solvated by CAPRIN1. Our work underscores the impact of the condensate solvent environment on the conformational states of resident proteins and supports the hypothesis that ALS mutations that decrease metal binding or dimerization function as drivers of aggregation in condensates.


Assuntos
Solventes , Superóxido Dismutase-1 , Superóxido Dismutase-1/química , Superóxido Dismutase-1/metabolismo , Superóxido Dismutase-1/genética , Humanos , Solventes/química , Desdobramento de Proteína , Ligação Proteica , Dobramento de Proteína , Modelos Moleculares , Grânulos de Estresse/metabolismo , Grânulos de Estresse/química , Proteínas de Ligação a RNA/metabolismo , Proteínas de Ligação a RNA/química , Conformação Proteica , Espectroscopia de Ressonância Magnética
3.
Proc Natl Acad Sci U S A ; 119(39): e2205914119, 2022 09 27.
Artigo em Inglês | MEDLINE | ID: mdl-36122242

RESUMO

Conformist and anticonformist transmission of dichotomous cultural traits (i.e., traits with two variants) have been studied both experimentally, in many species, and theoretically, with mathematical models. Signatures of types of conformity to polychotomous traits (with more than two variants; e.g., baby names and syllables in bird song) have been inferred from population-level data, but there are few models that include individual-level biases among more than two discrete variants. We generalize the standard dichotomous trait conformity model by Boyd and Richerson to incorporate [Formula: see text] role models and [Formula: see text] variants. Our analysis shows that in the case of [Formula: see text] role models, under anticonformity, the central polymorphic equilibrium [Formula: see text] is globally stable, whereas under conformity, if initially the frequencies of [Formula: see text] variants are all equal to the maximum variant frequency in the population, there is global convergence to an equilibrium in which the frequencies of these variants are all [Formula: see text] and all other variants are absent. With a general number n of role models, the same result holds with conformity, whereas under anticonformity, global convergence is not guaranteed, and there may be stable frequency cycles or chaos. If both conformity and anticonformity occur for different configurations of variants among the n role models, a variety of novel polymorphic equilibria may exist and be stable. Future empirical studies may use this formulation to directly quantify an individual's level of (anti)conformist bias to a polychotomous trait.


Assuntos
Modelos Teóricos , Fenótipo , Cultura
4.
J Comput Chem ; 45(15): 1254-1260, 2024 Jun 05.
Artigo em Inglês | MEDLINE | ID: mdl-38351736

RESUMO

A DFT and TDDFT study has been carried out on monomeric anthraquinones Emodin and Dermocybin (Em, Derm) recently proposed as natural antibacterial photosensitizers able to act also against gram-negative microbes. The computational study has been performed considering the relative amount of neutral and ionic forms of each compound in water, with the variation of pH. The occurrence of both Type I and Type II photoreactions has been explored computing the absorption properties of each species, the spin-orbit coupling constants (SOC), the vertical ionization potentials and the vertical electron affinities. The most plausible deactivation channels leading to the population of excited triplet states have been proposed. Our data indicate Emodin as more active than Dermocybin in antimicrobial photodynamic therapy throughout the Type II mechanism. Our data support a dual TypeI/II activity of the monomeric anthraquinones Emodin and Dermccybin in water, in all the considered protonation states.


Assuntos
Emodina , Fármacos Fotossensibilizantes , Fármacos Fotossensibilizantes/química , Antraquinonas , Antibacterianos , Água
5.
Conserv Biol ; 38(1): e14149, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-37424370

RESUMO

Oil palm is a major driver of tropical deforestation. A key intervention proposed to reduce the footprint of oil palm is intensifying production to free up spare land for nature, yet the indirect land-use implications of intensification through market forces are poorly understood. We used a spatially explicit land-rent modeling framework to characterize the supply and demand of oil palm in Indonesia under multiple yield improvement and demand elasticity scenarios and explored how shifts in market equilibria alter projections of crop expansion. Oil palm supply was sensitive to crop prices and yield improvements. Across all our scenarios, intensification raised agricultural rents and lowered the effectiveness of reductions in crop expansion. Increased yields lowered oil palm prices, but these price-drops were not sufficient to prevent further cropland expansion from increased agricultural rents under a range of price elasticities of demand. Crucially, we found that agricultural intensification might only result in land being spared when the demand relationship was highly inelastic and crop prices were very low (i.e., a 70% price reduction). Under this scenario, the extent of land spared (∼0.32 million ha) was countered by the continued establishment of new plantations (∼1.04 million ha). Oil palm intensification in Indonesia could exacerbate current pressures on its imperiled biodiversity and should be deployed with stronger spatial planning and enforcement to prevent further cropland expansion.


Cambios en el uso de suelo causados por la reacción del mercado a la intensificación de la palma aceitera en Indonesia Resumen La palma aceitera es una de las principales causas de la deforestación. Una intervención importante propuesta para reducir la huella de esta palma es la intensificación de la producción para que el suelo sobrante sea usado por la naturaleza, pero se sabe muy poco sobre las implicaciones del uso indirecto de suelo de la intensificación a través de las fuerzas del mercado. Usamos un marco de modelos de renta de suelo espacialmente explícito para caracterizar la oferta y demanda de la palma aceitera en Indonesia bajo varios escenarios de mejoras en la producción y elasticidad de demandas y exploramos cómo los cambios en el equilibrio del mercado alteran las proyecciones de la expansión agrícola. La oferta de palma aceitera fue susceptible a los precios de los cultivos y a las mejoras en la producción. La intensificación elevó la renta agrícola y redujo la efectividad de la reducción de la expansión agrícola en todos nuestros escenarios. El aumento en la producción bajó los precios de la palma, pero estas caídas no fueron suficientes para evitar la expansión agrícola a partir de las rentas agrícolas elevadas bajo un rango de elasticidad de precios de demanda. Más importante, descubrimos que la intensificación agrícola puede sólo resultar en que sobre el suelo cuando la relación de demanda casi no sea elástica y los precios de las cosechas sean muy bajos (una reducción del 70% en los precios). Bajo este escenario, la extensión de suelo sobrante (∼0.32 millones de ha) fue contrarrestado por el establecimiento continuo de nuevos sembradíos (∼1.04 millones de ha). La intensificación de la palma aceitera en Indonesia podría agravar las presiones existentes sobre su biodiversidad en peligro y debería implementarse con una mayor planeación espacial y aplicación para prevenir una expansión agrícola superior.


Assuntos
Arecaceae , Conservação dos Recursos Naturais , Indonésia , Agricultura , Biodiversidade , Arecaceae/fisiologia
6.
Environ Sci Technol ; 58(14): 6170-6180, 2024 Apr 09.
Artigo em Inglês | MEDLINE | ID: mdl-38501927

RESUMO

As human society has advanced, nuclear energy has provided energy security while also offering low carbon emissions and reduced dependence on fossil fuels, whereas nuclear power plants have produced large amounts of radioactive wastewater, which threatens human health and the sustainability of water resources. Here, we demonstrate a hydrate-based desalination (HBD) technology that uses methane as a hydrate former for freshwater recovery and for the removal of radioactive chemicals from wastewater, specifically from Cs- and Sr-containing wastewater. The complete exclusion of radioactive ions from solid methane hydrates was confirmed by a close examination using phase equilibria, spectroscopic investigations, thermal analyses, and theoretical calculations, enabling simultaneous freshwater recovery and the removal of radioactive chemicals from wastewater by the methane hydrate formation process described in this study. More importantly, the proposed HBD technology is applicable to radioactive wastewater containing Cs+ and Sr2+ across a broad concentration range of low percentages to hundreds of parts per million (ppm) and even subppm levels, with high removal efficiency of radioactive chemicals. This study highlights the potential of environmentally sustainable technologies to address the challenges posed by radioactive wastewater generated by nuclear technology, providing new insights for future research and development efforts.


Assuntos
Césio , Águas Residuárias , Humanos , Estrôncio , Água Doce , Metano/química
7.
J Sep Sci ; 47(12): e2400239, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-39031845

RESUMO

The separation of cannabinoids from hemp materials is nowadays one of the most promising industrial applications of liquid-liquid chromatography (LLC). Despite various experimental research efforts to purify cannabinoids, there are currently few works on process modeling. Thus, this study aimed to explore a straightforward approach to model the LLC separation of cannabinoids from two hemp extracts with different compositions. The feed materials were simplified to mixtures of preselected key components (i.e., cannabidiol, tetrahydrocannabinol, cannabigerol, and cannabinol). The elution profiles of cannabinoids were simulated using the equilibrium-cell model with an empirical nonlinear correlation. The model parameters were derived from the elution profiles of single-solute pulse injections. For the validation of the proposed approach, LLC separations with the two hemp extracts were performed in descending mode with the solvent system composed of hexane/methanol/water 10/8/2 (v/v/v). The injected sample concentrations were gradually increased from 5 to 100 mg/mL. The results showed that the approach could describe reasonably well the elution behavior of the cannabinoids, with deviations of only 1-2 min between simulated and experimental elution times. However, to improve the prediction accuracy, the model parameters can be refitted to the elution profiles of 3-4 systematically selected pulse injections with specific hemp extracts.


Assuntos
Canabinoides , Cannabis , Extratos Vegetais , Cannabis/química , Canabinoides/análise , Canabinoides/isolamento & purificação , Canabinoides/química , Extratos Vegetais/química , Extratos Vegetais/isolamento & purificação , Extratos Vegetais/análise , Cromatografia Líquida/métodos , Cromatografia Líquida de Alta Pressão
8.
Risk Anal ; 44(7): 1630-1650, 2024 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-38174660

RESUMO

Having reliable interdependent infrastructure networks is vital for well-being of a safe and productive society. Systems are vulnerable to failure or performance loss due to their interdependence among various networks, as each failure can propagate through the whole system. Although the conventional view has concentrated on optimizing the restoration of critical interdependent infrastructure networks using a centralized approach, having a lone actor as a decision-maker in the system is substantially different from the actual restoration decision environment, wherein infrastructure utilities make their own decisions about how to restore their network service. In a decentralized environment, the definition of whole system optimality does not apply as each decision-maker's interest may not converge with the others. Subsequently, this results in each decision-maker developing its own reward functions. Therefore, in this study, we address the concern of having multiple decision-makers with various payoff functions in interdependent networks by proposing a decentralized game theory algorithm for finding Nash equilibria solutions for network restoration in postdisaster situations.

9.
Molecules ; 29(15)2024 Jul 31.
Artigo em Inglês | MEDLINE | ID: mdl-39125023

RESUMO

Salt-induced diffusiophoresis is the migration of a colloidal particle in water due to a directional salt concentration gradient. An important example of colloidal particles is represented by micelles, generated by surfactant self-assembly in water. For non-ionic surfactants containing polyethylene glycol (PEG) groups, PEG preferential hydration at the micelle-water interface is expected to drive micelle diffusiophoresis from high to low salt concentration. However, micelles are reversible supramolecular assemblies, with salts being able to promote a significant change in micelle size. This phenomenon complicates the description of diffusiophoresis. Specifically, it is not clear to what extent the salt-induced growth of micelles affects micelle diffusiophoresis. In this paper, a multiple-equilibrium model is developed for assessing the contribution of the micelle growth and preferential hydration mechanisms to the diffusiophoresis of non-ionic micelles. The available experimental data characterizing the effect of NaCl on Triton X-100 aggregation number are combined with data on diffusiophoresis and the preferential hydration of PEG chains to show that the contribution of the micelle growth mechanism to overall diffusiophoresis is small compared to that of preferential hydration.

10.
Compr Rev Food Sci Food Saf ; 23(2): e13316, 2024 03.
Artigo em Inglês | MEDLINE | ID: mdl-38506169

RESUMO

Fats and oils are found in many food products; however, their macroscopic properties are difficult to predict, especially when blending different fats or oils together. With difficulties in sourcing specific fats or oils, whether due to availability or pricing, food companies may be required to find alternative sources for these ingredients, with possible differences in ingredient performance. Mathematical and computational modeling of these ingredients can provide a quick way to predict their properties, avoiding costly trials or manufacturing problems, while, most importantly, keeping the consumers happy. This review covers a range of mathematical models for triacylglycerides (TAGs) and fats, namely, models for the prediction of melting point, solid fat content, and crystallization temperature and composition. There are a number of models that have been designed for both TAGs and fats and which have been shown to agree very well with empirical measurements, using both kinetic and thermodynamic approaches, with models for TAGs being used to, in turn, predict fat properties. The last section describes computational models to simulate the behavior of TAGs using molecular dynamics (MD). Simulation of TAGs using MD, however, is still at an early stage, although the most recent papers on this topic are bringing this area up to speed.


Assuntos
Gorduras , Óleos , Gorduras/química , Cristalização , Temperatura , Simulação por Computador
11.
Chemistry ; 29(27): e202300441, 2023 May 11.
Artigo em Inglês | MEDLINE | ID: mdl-36896822

RESUMO

Deracemization extended to racemic-compound-forming systems is demonstrated. We present here the first results of an alternative for the resolution of systems that exhibit a stable racemic compound but also a closely related conglomerate-forming system. If the couples of enantiomers forming the racemic compound and the enantiomers of the stable conglomerate can syncrystallize in mirror-related partial solid solutions, it is possible to deracemize the racemic mixture of mixed crystals to access to a single handedness. The evidence for this possibility is given in three examples by using temperature-cycling-induced deracemization.

12.
Anal Biochem ; 680: 115315, 2023 11 01.
Artigo em Inglês | MEDLINE | ID: mdl-37689096

RESUMO

The use of model peptides that can simulate the behaviour of a protein domain is a very successful analytical method to study the metal coordination sites in biological systems. Here we study zinc and copper binding ability of the sequence HTHEHSHDHSHAH, which serves as model for the metal interactions with YrpE, a putative metal-binding protein of the ZinT family identified in Bacillus subtilis. Compared to other ZinT proteins secreted by Gram-negative bacteria, the metal-coordination properties of YrpE N-terminal histidine-rich domain have not been yet characterized. Different independent analytical methods, aimed at providing information on the stability and structure of the formed species, have been employed, including potentiometric titrations, electrospray ionization mass spectrometry, UV-Vis spectrophotometry, circular dichroism and electron paramagnetic resonance spectroscopy. The obtained speciation models and equilibrium constants allowed to compare the metal-binding ability of the investigated polyhistidine sequence with that of other well-known histidine-rich peptides. Our thermodynamic results revealed that the YrpE domain HTHEHSHDHSHAH forms more stable metal complexes than other His-rich domains of similar ZinT proteins. Moreover, the studied peptide, containing the alternated (-XH-)n motif, proved to be even more effective than the His6-tag (widely used in immobilized metal ion affinity chromatography) in binding zinc ions.


Assuntos
Bacillus subtilis , Histidina , Peptídeos , Metais , Zinco
13.
Chemphyschem ; 24(1): e202200442, 2023 01 03.
Artigo em Inglês | MEDLINE | ID: mdl-36300905

RESUMO

Potential energy surface (PES) analyses at the SMD[MP2/6-311++G(d,p)] level and higher-level energies up to MP4(fc,SDTQ) are reported for the fluorinated tertiary carbamate N-ethyl-N-(2,2,2-trifluoroethyl) methyl carbamate (VII) and its parent system N,N-dimethyl methyl carbamate (VI). Emphasis is placed on the analysis of the rotational barrier about the CN carbamate bond and its interplay with the hybridization of the N-lone pair (NLP). All rotational transition state (TS) structures were found by computation of 1D relaxed rotational profiles but only 2D PES scans revealed the rotation-inversion paths in a compelling fashion. We found four unique chiral minima of VII, one pair each of E- and Z-rotamers, and we determined the eight unique rotational TS structures associated with every possible E/Z-isomerization path. It is a significant finding that all TS structures feature N-pyramidalization whereas the minima essentially contain sp2 -hybridized nitrogen. We will show that the TS stabilities are affected by the synergetic interplay between NLP/CO2 repulsion minimization, NLP→σ* (CO) negative hyperconjugation, and two modes of intramolecular through-space electrostatic stabilization. We demonstrate how Boltzmann statistics must be applied to determine the predicted experimental rotational barrier based on the energetics of all eight rotamerization pathways. The computed barrier for VII is in complete agreement with the experimentally measured barrier of the very similar fluorinated carbamate N-Boc-N-(2,2,2-trifluoroethyl)-4-aminobutan-1-ol II. NMR properties of VII were calculated with a variety of density functional/basis set combinations and Boltzmann averaging over the E- and Z-rotamers at our best theoretical level results in good agreement with experimental chemical shifts δ(13 C) and J(13 C,19 F) coupling constants of II (within 6 %).


Assuntos
Carbamatos , Isomerismo , Rotação , Espectroscopia de Ressonância Magnética
14.
J Theor Biol ; 562: 111429, 2023 04 07.
Artigo em Inglês | MEDLINE | ID: mdl-36746297

RESUMO

Conformist and anti-conformist cultural transmission have been studied both empirically, in several species, and theoretically, with population genetic models. Building upon standard, infinite-population models (IPMs) of conformity, we introduce finite-population models (FPMs) and study them via simulation and a diffusion approximation. In previous IPMs of conformity, offspring observe the variants of n adult role models, where n is often three. Numerical simulations show that while the short-term behavior of the FPM with n=3 role models is well approximated by the IPM, stable polymorphic equilibria of the IPM become effective equilibria of the FPM at which the variation persists prior to fixation or loss, and which produce plateaus in curves for fixation probabilities and expected times to absorption. In the FPM with n=5 role models, the population may switch between two effective equilibria, which is not possible in the IPM, or may cycle between frequencies that are not effective equilibria, which is possible in the IPM. In all observed cases of 'equilibrium switching' and 'cycling' in the FPM, model parameters exceed O(1/N), required for the diffusion approximation, resulting in an over-estimation of the actual times to absorption. However, in those cases with n=5 role models that have one effective equilibrium and stable fixation states, even if conformity coefficients exceed O(1/N), the diffusion approximation matches closely the numerical simulations of the FPM. This suggests that the robustness of the diffusion approximation depends not only on the magnitudes of coefficients, but also on the qualitative behavior of the conformity model.


Assuntos
Conformidade Social , Modelos Teóricos
15.
J Theor Biol ; 572: 111563, 2023 09 07.
Artigo em Inglês | MEDLINE | ID: mdl-37391126

RESUMO

The growth of many solid tumors has been found to be driven by chemo- and radiotherapy-resistant cancer stem cells (CSCs). A suitable therapeutic avenue in these cases may involve the use of a differentiating agent (DA) to force the differentiation of the CSCs and of conventional therapies to eliminate the remaining differentiated cancer cells (DCCs). To describe the effects of a DA that reprograms CSCs into DCCs, we adapt a differential equation model developed to investigate tumorspheres, which are assumed to consist of jointly evolving CSC and DCC populations. We analyze the mathematical properties of the model, finding the equilibria and their stability. We also present numerical solutions and phase diagrams to describe the system evolution and the therapy effects, denoting the DA strength by a parameter adif. To obtain realistic predictions, we choose the other model parameters to be those determined previously from fits to various experimental datasets. These datasets characterize the progression of the tumor under various culture conditions. Typically, for small values of adif the tumor evolves towards a final state that contains a CSC fraction, but a strong therapy leads to the suppression of this phenotype. Nonetheless, different external conditions lead to very diverse behaviors. For microchamber-grown tumorspheres, there is a threshold in therapy strength below which both subpopulations survive, while high values of adif lead to the complete elimination of the CSC phenotype. For tumorspheres grown on hard and soft agar and in the presence of growth factors, the model predicts a threshold not only in the therapy strength, but also in its starting time, an early beginning being potentially crucial. In summary, our model shows how the effects of a DA depend critically not only on the dosage and timing of the drug application, but also on the tumor nature and its environment.


Assuntos
Neoplasias , Humanos , Células-Tronco Neoplásicas/citologia , Células-Tronco Neoplásicas/metabolismo , Neoplasias/terapia , Diferenciação Celular
16.
Environ Res ; 218: 114908, 2023 02 01.
Artigo em Inglês | MEDLINE | ID: mdl-36442521

RESUMO

Trace amounts of semi-volatile organic compounds (SVOCs) of the two isothiazolinones of 2-methylisothiazol-3(2H)-one (MIT) and 2-octyl-4-isothiazolin-3-one (OIT) were detected both in the air and on glass surfaces. Equilibria of SVOCs between air and glass were examined by solid phase microextraction-gas chromatography/mass spectrometry (SPME-GC/MS). Surface to air distribution ratios of Ksa for MIT and OIT were determined to be 5.10 m and 281.74 m, respectively, suggesting more abundant MIT in the gas phase by a factor of ∼55. In addition, a facile method of silver nanocube (AgNC)-assisted surface-enhanced Raman scattering (SERS) has been developed for the rapid and sensitive detection of MIT and OIT on glass surfaces. According to MIT and OIT concentration-correlated SERS intensities of Raman peaks at ∼1585 cm-1 and ∼1125 cm-1, respectively. Their calibration curves have been obtained in the concentration ranges between 10-3 to 10-10 M and 10-3 to 10-11 M with their linearity of 0.9986 and 0.9989 for MIT and OIT, respectively. The limits of detection (LODs) of the two isothiazolinones were estimated at 10-10 M, and 10-11 M for MIT and OIT, respectively. Our results indicate that AgNC-assisted SERS spectra are a rapid and high-ultrasensitive method for the quantification of MIT and OIT in practical applications. The development of analytical methods and determination of the Ksa value obtained in this study can be applied to the prediction of the exposure to MIT and OIT from various chemical products and dynamic behaviors to assess human health risks in indoor environments.


Assuntos
Análise Espectral Raman , Compostos Orgânicos Voláteis , Humanos , Cromatografia Gasosa-Espectrometria de Massas/métodos , Microextração em Fase Sólida/métodos , Compostos Orgânicos Voláteis/análise , Limite de Detecção
17.
J Math Biol ; 87(4): 63, 2023 09 26.
Artigo em Inglês | MEDLINE | ID: mdl-37751048

RESUMO

We study a discrete-time multi-type Wright-Fisher population process. The mean-field dynamics of the stochastic process is induced by a general replicator difference equation. We prove several results regarding the asymptotic behavior of the model, focusing on the impact of the mean-field dynamics on it. One of the results is a limit theorem that describes sufficient conditions for an almost certain path to extinction, first eliminating the type which is the least fit at the mean-field equilibrium. The effect is explained by the metastability of the stochastic system, which under the conditions of the theorem spends almost all time before the extinction event in a neighborhood of the equilibrium. In addition to the limit theorems, we propose a maximization principle for a general deterministic replicator dynamics and study its implications for the stochastic model.


Assuntos
Evolução Biológica , Dinâmica Populacional , Processos Estocásticos
18.
J Math Biol ; 87(4): 58, 2023 09 13.
Artigo em Inglês | MEDLINE | ID: mdl-37702756

RESUMO

Biological control using natural enemies with additional food resources is one of the most adopted and ecofriendly pest control techniques. Moreover, additional food is also provided to natural enemies to divert them from cannibalism. In the present work, using the theory of dynamical system, we discuss the dynamics of a cannibalistic predator prey model in the presence of different harvesting schemes in prey (pest) population and provision of additional food to predators (natural enemies). A detailed mathematical analysis and numerical evaluations have been presented to discuss the pest free state, coexistence of species, stability, occurrence of different bifurcations (saddle-node, transcritical, Hopf, Bogdanov-Takens) and the impact of additional food and harvesting schemes on the dynamics of the system. It has been obtained that the multiple coexisting equilibria and their stability depend on the additional food (quality and quantity) and harvesting rates. Interestingly, we also observe that the pest population density decreases immediately even when small amount of harvesting is implemented. Also the eradication of pest population (stable pest free state) could be achieved via variation in the additional food and implemented harvesting schemes. The individual effects of harvesting parameters on the pest density suggest that the linear harvesting scheme is more effective to control the pest population rather than constant and nonlinear harvesting schemes. In the context of biological control programs, the present theoretical work suggests different threshold values of implemented harvesting and appropriate choices of additional food to be supplied for pest eradication.


Assuntos
Canibalismo , Densidade Demográfica
19.
Proc Natl Acad Sci U S A ; 117(24): 13603-13614, 2020 06 16.
Artigo em Inglês | MEDLINE | ID: mdl-32461360

RESUMO

Conformist bias occurs when the probability of adopting a more common cultural variant in a population exceeds its frequency, and anticonformist bias occurs when the reverse is true. Conformist and anticonformist bias have been widely documented in humans, and conformist bias has also been observed in many nonhuman animals. Boyd and Richerson used models of conformist and anticonformist bias to explain the evolution of large-scale cooperation, and subsequent research has extended these models. We revisit Boyd and Richerson's original analysis and show that, with conformity based on more than three role models, the evolutionary dynamics can be more complex than previously assumed. For example, we show the presence of stable cycles and chaos under strong anticonformity and the presence of new equilibria when both conformity and anticonformity act at different variant frequencies, with and without selection. We also investigate the case of population subdivision with migration and find that the common claim that conformity can maintain between-group differences is not always true. Therefore, the effect of conformity on the evolution of cooperation by group selection may be more complicated than previously stated. Finally, using Feldman and Liberman's modifier approach, we investigate the conditions under which a rare modifier of the extent of conformity or the number of role models can invade a population. Understanding the dynamics of conformist- and anticonformist-biased transmission may have implications for research on human and nonhuman animal behavior, the evolution of cooperation, and frequency-dependent transmission in general.


Assuntos
Evolução Cultural , Conformidade Social , Humanos , Modelos Psicológicos , Comportamento Social
20.
Int J Mol Sci ; 24(11)2023 May 26.
Artigo em Inglês | MEDLINE | ID: mdl-37298281

RESUMO

Precise data on the non-variant equilibrium of the four phases (vapor-aqueous solution-ice-gas hydrate) in P-T coordinates are highly desired for developing accurate thermodynamic models and can be used as reference points (similar to the triple point of water). Using the two-component hydrate-forming system CO2-H2O, we have proposed and validated a new express procedure for determining the temperature and pressure of the lower quadruple point Q1. The essence of the method is the direct measurement of these parameters after the successive formation of the gas hydrate and ice phases in the initial two-phase gas-water solution system under intense agitation of the fluids. After relaxation, the system occurs in the same equilibrium state (T = 271.60 K, P = 1.044 MPa), regardless of the initial parameters and the order of crystallization of the CO2 hydrate and ice phases. Considering the combined standard uncertainties (±0.023 K, ±0.021 MPa), the determined P and T values agree with the results of other authors obtained by a more sophisticated indirect method. Validating the developed approach for systems with other hydrate-forming gases is of great interest.


Assuntos
Dióxido de Carbono , Água , Dióxido de Carbono/química , Água/química , Gelo , Gases/química , Temperatura
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