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1.
Chemphyschem ; 25(16): e202400118, 2024 Aug 19.
Artigo em Inglês | MEDLINE | ID: mdl-38742372

RESUMO

In recent decades, two-dimensional (2D) perovskites have emerged as promising semiconductors for next-generation photovoltaics, showing notable advancements in solar energy conversion. Herein, we explore the impact of alternative inorganic lattice BX-based compositions (B=Ge or Sn, X=Br or I) on the energy gap and stability. Our investigation encompasses BA2Man-1BnX3n+1 2D Ruddlesden-Popper perovskites (for n=1-5 layers) and 3D bulk (MA)BX3 systems, employing first-principles calculations with spin-orbit coupling (SOC), DFT-1/2 quasiparticle, and D3 dispersion corrections. The study unveils how atoms with smaller ionic radii induce anisotropic internal and external distortions within the inorganic and organic lattices. Introducing the spacers in the low-layer regime reduces local distortions but widens band gaps. Our calculation protocol provides deeper insights into the physics and chemistry underlying 2D perovskite materials, paving the way for optimizing environmentally friendly alternatives that can efficiently replace with sustainable materials.

2.
J Phys Condens Matter ; 34(30)2022 May 30.
Artigo em Inglês | MEDLINE | ID: mdl-35381580

RESUMO

Two-dimensional (2D) chalcogenides have attracted great interest from the scientific community due to their intrinsic physical-chemical properties, which are suitable for several technological applications. However, most of the reported studies focused on particular compounds and composition, e.g., MoS2, MoSe2, WS2, and WSe2. Thus, there is an increased interest to extend our knowledge on 2D chalcogenides. Here, we report a density functional theory (DFT) screening of 2D coinage-metal chalcogenides (MQx), whereM= Cu, Ag,Q= S, Se, Te,x= 0.5, 1.0, 1.5, 2.0, with the aim to improve our atomistic understanding of the physical-chemical properties as a function of cation (M), anion (Q), and composition (x). Based on 258 DFT calculations, we selected a set of 22 stableMQxmonolayers based on phonons analyses, where we identified 9 semiconductors (7 AgQxand 2 CuQx), with band gaps from 0.07 eV up to 1.67 eV, while the remaining systems have a metallic character. Using all 258 systems, we found a logarithmic correlation between the average weighted bond lengths and effective coordination number of cations and anions. As expected, the monolayer cohesive energies increase with the radius of theQspecies (i.e., from S to Te). Furthermore, an increase in the anion size diminishes the work function for nearly allMQxmonolayers, which can be explained by the nature of the electronic states at the valence band maximum.

3.
Plant Biol (Stuttg) ; 23(5): 743-748, 2021 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-33884736

RESUMO

Apomixis is the asexual production of seeds by plants and, in theory, would render low genetic diversity and even clonal lineages. However, recent studies have shown otherwise, although is not always clear where the genetic diversity of obligate apomicts comes from. We evaluated the genetic diversity among sister seedlings of M. albicans, an obligate apomictic species in Cerrado, Neotropical Savannas in Central Brazil. A total of 50 seedlings from five individuals were analysed using ISSR primers. We obtained 107 fragments, all with good resolution, consistently observed and replicable. The percentage of polymorphic loci ranged from 28.04% to 33.64% and Shannon's information index (I) averaged 0.173. The expected heterozygosity (He) averaged 0.117, similar to the observed for populations of M. albicans and other selfed species. Only two seedlings showed the same genotype (possible clones), but most differed at least for five loci. Most of variance was among progenies (62%), but we found that 38% was within progenies. Genetic distances separated the progenies in two groups, and analogous analyses between individuals reconstructed the original progenies clustering. The results confirmed a relatively high genetic diversity among sister seedling of this obligatory apomictic plant and clones were rare. This diversity can be generated during development, probably by restitutional meiosis or other recombination processes. These differences may accumulate into lineages and populations well adapted to heterogenous Cerrado environment.


Assuntos
Apomixia , Melastomataceae , Células Clonais , Variação Genética , Sementes/genética
4.
J Phys Condens Matter ; 32(36): 365702, 2020 May 04.
Artigo em Inglês | MEDLINE | ID: mdl-32365339

RESUMO

Owing to nonzero charge and spin degrees of freedom, trions offer unprecedented tunability and open new paths for applications in devices based on 2D semiconductors. However, in monolayer WSe2, the trion photoluminescence is commonly detected only at low temperatures and vanishes at room temperature, which undermines practical applications. To unveil how to overcome this obstacle, we have developed a comprehensive theory to probe the impact of different excitonic channels on the trion emission in WSe2 monolayers, which combines ab initio tight-binding formalism, Bethe-Salpeter equation and a set of coupled rate equations to describe valley dynamics of excitonic particles. Through a systematic study in which new scattering channels are progressively included, we found that, besides the low electron density, strong many-body correlations between bright and dark excitonic states quenches the trion emission in WSe2. Therefore, the reduction of scatterings from bright to dark states is required to achieve trion emission at room temperature for experimentally accessible carrier concentrations.

5.
Lett Appl Microbiol ; 71(5): 444-450, 2020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-32395843

RESUMO

Sugarcane cultivation supports Brazil as one of the largest world sugar and ethanol producer. In order to understand the impact of changing sugarcane harvest from manual to mechanized harvest, we studied the effect of machinery traffic on soil and consequently soil compaction upon soil microbial communities involved in nitrogen cycling. The impact of sugarcane harvest was dependent on soil depth and texture. At deeper soil layers, mechanized harvesting increases the abundance of nitrogen fixers and denitrifying communities (specifically nosZ clade I and II) while manual harvesting increases the abundance of ammonia oxidizers (specifically AOA) and increases denitrifying communities (nosZ clade I and II) on top and at intermediate depth. The effect of change on the harvest system is more evident on sandy soil than on clay soil, where soil indicators of compaction (bulk density and penetration resistance) were negatively correlated with soil microorganisms associated with the nitrogen cycle. Our results point to connections between soil compaction and N transformations in sugarcane fields, besides naming biological variables to be used as proxies for alterations in soil structure.


Assuntos
Archaea/metabolismo , Bactérias/metabolismo , Ciclo do Nitrogênio/fisiologia , Saccharum/microbiologia , Solo/química , Brasil , Microbiota/fisiologia , Nitrogênio/metabolismo , Microbiologia do Solo
6.
J Neurooncol ; 144(3): 475, 2019 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-31478154

RESUMO

In the initial online version of the article, author F.M. Soriani was missing. The original article has been corrected.

7.
J Neurooncol ; 144(3): 463-473, 2019 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-31392596

RESUMO

INTRODUCTION: Glioblastoma multiforme (GBM) is the most lethal form of gliomas. New therapies are currently in development to tackle treatment limitations such as chemotherapy resistance. One mechanism of resistance may be the stress granules (SG) assembly, a stress-related cellular response that allows cells to recruit and protect mRNAs during stress. SG are composed of various proteins, being G3BP1 a core element that enucleates and results in SG assembly. Here, we aimed to evaluate the effects of inhibiting the G3PB1 expression in the chemotherapeutical-induced cell death of the U87 glioblastoma cell line. MATERIALS AND METHODS: G3BP1 mRNA and protein expression were modulated with short-interference RNA (siRNA). The viability of U87 cells after Bortezomib (BZM), a proteasome inhibitor, and Temozolomide (TMZ), an alkylating agent, was assessed by MTT assay. Apoptosis was evaluated by staining cells with Annexin-V/7-AAD and analyzing by flow cytometry. Caspase-3 activation was evaluated by immunoblotting. The chorioallantoic membrane in vivo assay was used to evaluate angiogenesis. RESULTS: When G3BP1 was knocked-down, the SG assembly was reduced and the BZM-treated cells, but not TMZ-treated cells, had a significant increase in the apoptotic response. Corroborating this data, we observed increased Caspase-3 activation in the BZM-treated and G3BP1-knocked-down cells when compared to vehicle-treated and scramble-transfected cells. Worth mentioning, the conditioned culture medium of G3BP1-knocked-down BZM-treated cells inhibited angiogenesis when compared to controls. CONCLUSION: Our data suggest G3BP1 knockdown diminishes SG formation and stimulates BZM-induced apoptosis of U87 cells in vitro, in addition to inhibiting glioblastoma-induced angiogenesis in vivo.


Assuntos
Antineoplásicos/farmacologia , Apoptose/efeitos dos fármacos , Bortezomib/farmacologia , Grânulos Citoplasmáticos/efeitos dos fármacos , DNA Helicases/antagonistas & inibidores , Glioblastoma/tratamento farmacológico , Neovascularização Patológica/tratamento farmacológico , Proteínas de Ligação a Poli-ADP-Ribose/antagonistas & inibidores , RNA Helicases/antagonistas & inibidores , Proteínas com Motivo de Reconhecimento de RNA/antagonistas & inibidores , Antineoplásicos Alquilantes/farmacologia , Proliferação de Células/efeitos dos fármacos , Grânulos Citoplasmáticos/patologia , Glioblastoma/metabolismo , Glioblastoma/patologia , Humanos , Neovascularização Patológica/metabolismo , Neovascularização Patológica/patologia , Temozolomida/farmacologia , Células Tumorais Cultivadas
8.
Neotrop Entomol ; 48(1): 57-70, 2019 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-30066276

RESUMO

The continuous pursuit of welfare and economic development through the exploitation of natural resources by human societies consequently resulted in the ongoing process of climate change. Changes in the distribution of species towards the planet's poles and mountain tops are some of the expected to biological consequences of this process. Here, we assessed the potential effects of future climate change on four cool-adapted Gripopterygidae (Insecta: Plecoptera) species [Gripopteryx garbei Navás 1936, G. cancellata (Pictet 1841), Tupiperla gracilis (Burmeister 1839), and T. tessellata (Brauer 1866)] from Southeastern Brazilian Atlantic forest. As species adapted to cold conditions, in the future scenarios of climate change, we expected these organisms to shrink/change their distributions ranges towards areas with suitable climatic conditions in Southern Brazilian regions, when compared with their predicted distributions in present climatic conditions. We used seven principal components derived from 19 environmental variables from Worldclim database for the present scenario and also seven principal components obtained from 17 different Atmosphere-Ocean Global Circulation Models (AOGCMs), considering the most severe emission scenario for green-house gases to predict the species' distributions. Depending on the climatic scenario considered, there were polewards distribution range changes of the species. Additionally, we also observed an important decrease in the amount of protected modeled range for the species in the future scenarios. Considering that this Brazilian region may become hotter in the future and have its precipitation regime changed, as observed in the severe 2013-2014 drought, we believe these species adapted to high altitudes will be severely threatened in the future.


Assuntos
Adaptação Fisiológica , Mudança Climática , Neópteros/fisiologia , Animais , Biodiversidade , Brasil , Temperatura Baixa , Conservação dos Recursos Naturais , Florestas , Modelos Biológicos
9.
Plant Biol (Stuttg) ; 20(2): 244-251, 2018 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-29069536

RESUMO

Since tropical trees often have long generation times and relatively small reproductive populations, breeding systems and genetic variation are important for population viability and have consequences for conservation. Miconia albicans is an obligate, diplosporous, apomictic species widespread in the Brazilian Cerrado, the savanna areas in central Brazil and elsewhere in the Neotropics. The genetic variability would be, theoretically, low within these male-sterile and possibly clonal populations, although some variation would be expected due to recombination during restitutional meiosis. We used ISSR markers to assess genetic diversity of M. albicans and to compare with other tropical trees, including invasive species of Melastomataceae. A total of 120 individuals from six populations were analysed using ten ISSR primers, which produced 153 fully reproducible fragments. The populations of M. albicans presented mean Shannon's information index (I) of 0.244 and expected heterozygosity (He ) of 0.168. Only two pairs of apparently clonal trees were identified, and genetic diversity was relatively high. A hierarchical amova for all ISSR datasets showed that 74% of the variance was found among populations, while only 26% of the variance was found within populations of this species. Multivariate and Bayesian analyses indicated marked separation between the studied populations. The genetic diversity generated by restitutional meiosis, polyploidy and possibly other genome changes may explain the morpho-physiological plasticity and the ability of these plants to differentiate and occupy such a wide territory and different environmental conditions. Producing enormous amounts of bird-dispersed fruits, M. albicans possess weedy potential that may rival other Melastomataceae alien invaders.


Assuntos
Melastomataceae/genética , Árvores/genética , Brasil , DNA de Plantas/genética , Marcadores Genéticos/genética , Variação Genética/genética , Repetições de Microssatélites/genética , Filogenia , Reação em Cadeia da Polimerase , Clima Tropical
10.
Sci Rep ; 7: 41044, 2017 01 23.
Artigo em Inglês | MEDLINE | ID: mdl-28112197

RESUMO

Photonic quantum computer, quantum communication, quantum metrology and quantum optical technologies rely on the single-photon source (SPS). However, the SPS with valley-polarization remains elusive and the tunability of magneto-optical transition frequency and emission/absorption intensity is restricted, in spite of being highly in demand for valleytronic applications. Here we report a new class of SPSs based on carriers spatially localized in two-dimensional monolayer transition metal dichalcogenide quantum dots (QDs). We demonstrate that the photons are absorbed (or emitted) in the QDs with distinct energy but definite valley-polarization. The spin-coupled valley-polarization is invariant under either spatial or magnetic quantum quantization. However, the magneto-optical absorption peaks undergo a blue shift as the quantization is enhanced. Moreover, the absorption spectrum pattern changes considerably with a variation of Fermi energy. This together with the controllability of absorption spectrum by spatial and magnetic quantizations, offers the possibility of tuning the magneto-optical properties at will, subject to the robust spin-coupled valley polarization.

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