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1.
Front Microbiol ; 15: 1424687, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39314884

RESUMO

Introduction: Thus far, the impact of kaolin mining activities on the surrounding native plants and rhizosphere microecology has not been fully understood. Methods: In this study, we used 16S rRNA high-throughput sequencing to examine the impact of kaolin mining on the rhizosphere bacterial communities and functions of three local plant species: Conyza bonariensis, Artemisia annua, and Dodonaea viscosa. Results: The results showed that kaolin mining significantly reduced the diversity of rhizosphere bacteria in these plants, as indicated by the Shannon, Simpson, Chao1, and observed species indices (p < 0.05). Kaolin mining had an impact on the recruitment of three rhizosphere bacteria native to the area: Actinoplanes, RB41, and Mycobacterium. These bacteria were found to be more abundant in the rhizosphere soil of three local plants than in bulk soil, yet the mining of kaolin caused a decrease in their abundance (p < 0.05). Interestingly, Ralstonia was enriched in the rhizosphere of these plants found in kaolin mining areas, suggesting its resilience to environmental stress. Furthermore, the three plants had different dominant rhizosphere bacterial populations in kaolin mining areas, such as Nocardioides, Pseudarthrobacter, and Sphingomonas, likely due to the unique microecology of the plant rhizosphere. Kaolin mining activities also caused a shift in the functional diversity of rhizosphere bacteria in the three local plants, with each plant displaying different functions to cope with kaolin mining-induced stress, such as increased abundance of the GlpM family and glucan-binding domain. Discussion: This study is the first to investigate the effects of kaolin mining on the rhizosphere microecology of local plants, thus contributing to the establishment of soil microecological health monitoring indicators to better control soil pollution in kaolin mining areas.

2.
Front Public Health ; 12: 1436304, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39301513

RESUMO

Introduction: This study investigates the experiences of leading Chinese companies in environmental conservation under varying extreme climate conditions, focusing on the role of artificial intelligence (AI) and governmental assistance. Methods: A survey was conducted involving 200 participants to assess recognition and endorsement of AI's role in environmental protection and to explore the adoption of AI technologies by firms for enhancing environmental management practices. Results: The survey revealed widespread recognition of Tencent's green initiatives and strong support for AI's role in environmental protection. Many firms are considering adopting AI technologies to optimize energy management, deploy intelligent HVAC systems, and improve the operations of data centers and smart lighting systems. Discussion: The findings highlight a strong belief in AI's potential to advance environmental protection efforts, with a call for increased governmental support to foster this development. The study underscores the importance of a partnership between businesses and governments to leverage AI for environmental sustainability, contributing significantly to conservation efforts.


Assuntos
Inteligência Artificial , China , Humanos , Inquéritos e Questionários , Conservação dos Recursos Naturais , Poluição Ambiental , Mudança Climática , População do Leste Asiático
3.
iScience ; 27(8): 110420, 2024 Aug 16.
Artigo em Inglês | MEDLINE | ID: mdl-39104413

RESUMO

C3N4 is widely applied in the synthesis of single-atom catalysts. However, understanding on the active site and the reaction mechanism is not fully in consensus. Especially, bare studies have considered the coordination environment of the single-atomic dopant and the effect of nitrogen vacancy on C3N4. In this study, we found that the presence of nitrogen vacancies promotes the activation of water and reduces the activation energy barrier for hydrogen generation. The results show that a synergistic effect between single-atom Pt and nitrogen vacancies enables the catalyst to achieve a superior hydrogen production rate of 3,890 µmol/g/h, which is 16.8 times higher than that of pristine C3N4. Moreover, the catalyst is also applicable for photocatalytic hydrogen production from seawater without significantly decreased hydrogen production rate. This study paves the way for the rational design and optimization of next-generation photocatalysts for sustainable energy applications, particularly in solar-driven hydrogen production.

4.
Environ Sci Pollut Res Int ; 31(36): 49141-49155, 2024 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-39044055

RESUMO

In this study, we used 16S high-throughput sequencing to investigate the effects of uranium mining on the rhizospheric bacterial communities and functions of three local plant species, namely, Artemisia frigida, Acorus tatarionwii Schott., and Salix oritrepha Schneid. The results showed that uranium mining significantly reduced the diversity of rhizospheric bacteria in the three local plant species, including the Shannon index and Simpson index (P < 0.05). Interestingly, we found that Sphingomonas and Pseudotrichobacter were enriched in the rhizosphere soil of the three local plants from uranium mining areas, indicating their important ecological role. The three plants were enriched in various dominant rhizospheric bacterial populations in the uranium mining area, including Vicinamidobacteriaceae, Nocardioides, and Gaiella, which may be related to the unique microecological environment of the plant rhizosphere. The rhizospheric bacterial community of A. tatarionwii plants from tailings and open-pit mines also showed a certain degree of differentiation, indicating that uranium mining is the main factor driving the differentiation of plant rhizosphere soil communities on the plateau. Functional prediction revealed that rhizospheric bacteria from different plants have developed different functions to cope with stress caused by uranium mining activities, including enhancing the translational antagonist Rof, the translation initiation factor 2B subunit, etc. This study explores for the first time the impact of plateau uranium mining activities on the rhizosphere microecology of local plants, promoting the establishment of effective soil microecological health monitoring indicators, and providing a reference for further soil pollution remediation in plateau uranium mining areas.


Assuntos
Mineração , Rizosfera , Microbiologia do Solo , Urânio , Tibet , Bactérias/classificação
5.
Food Chem X ; 23: 101575, 2024 Oct 30.
Artigo em Inglês | MEDLINE | ID: mdl-39022787

RESUMO

This study aimed to investigate the impact of different strains of Lactiplantibacillus plantarum on malolactic fermentation (MLF), antioxidant activity, and aroma of ciders. A commercial strain of Saccharomyces cerevisiae and six indigenous L. plantarum strains were co-inoculated into apple juice to induce simultaneous alcoholic fermentation (AF) and MLF. The findings indicated that despite belonging to the same species, the different L. plantarum strains significantly differed (p < 0.05) in terms of antioxidant activity and aroma compounds in the ciders. MLF induced by L. plantarum resulted in the substantial consumption of malic acid and increased levels of lactic acid in the ciders, with strain-specific effects observed, particularly with L. plantarum SCFF284. In addition, ciders produced from mixed fermentations exhibited higher levels of antioxidant activity than those from pure S. cerevisiae fermentation (p < 0.05), especially for LAM284. Furthermore, ciders produced from mixed fermentations exhibited higher levels of aroma compounds, such as ethyl acetate and isoamyl alcohol, and also received higher sensory scores compared to ciders produced through pure S. cerevisiae fermentation (p < 0.05). These results highlight the effectiveness of MLF induced by L. plantarum in enhancing the antioxidant activity and aroma profile of ciders.

6.
Foods ; 13(14)2024 Jul 11.
Artigo em Inglês | MEDLINE | ID: mdl-39063277

RESUMO

Yellow wine fermented from highland barley is an alcoholic beverage with high nutritional value. However, the industrialization of barley yellow wine has been constrained to a certain extent due to the lack of a systematic starter culture. Therefore, the present study aims to simulate barley yellow wine fermentation using a starter culture consisting of Rhizopus arrhizus, Saccharomyces cerevisiae, Pichia kudriavzevii, and Lacticaseibacillus rhamnosus. In this study, changes in enzyme activity, fermentation characteristics, volatile substance production, and amino acid content during the fermentation of highland barley yellow wine brewed with different starter cultures were evaluated. The results of this study show that regulating the proportion of mixed starter bacteria can effectively control the various stages of the fermentation process and improve the organoleptic characteristics and quality of yellow wine to varying degrees. Additionally, we found that the addition of probiotics could effectively improve the palatability of yellow wine. To the best of our knowledge, we have validated for the first time the use of the above multispecies starter culture, consisting of R. arrhizus, S. cerevisiae, P. kudriavzevii, and L. rhamnosus, in the production of highland barley yellow wine. The obtained findings provided reference data for optimizing highland barley yellow wine fermentation.

7.
ACS Nano ; 2024 Jul 26.
Artigo em Inglês | MEDLINE | ID: mdl-39058355

RESUMO

Skyrmions in two-dimensional (2D) magnetic materials are considered as ideal candidates for information carriers in next-generation spintronic devices. However, conventional methods for elucidating the physical properties of skyrmions have limited the development of skyrmions in diverse 2D magnetic material systems due to their requirements for electrical conductivity. To overcome this limitation, we propose to utilize an optical method (magneto-optical Kerr technique) to detect the skyrmions in 2D magnetic materials. Herein, the graphene/Fe3GeTe2/graphene vertical van der Waals (vdW) heterostructure devices are fabricated to generate stabilized skyrmions by applying out-of-plane current. In combination with magnetic circular dichroism measurements, we observe topological-reflective magnetic circular dichroism (T-RMCD) effects in Fe3GeTe2 flakes and attribute the peak-shaped component in T-RMCD to the annihilation of skyrmion magnetic domains. Notably, the T-RMCD signal can maintain up to a temperature as high as the Curie temperature of Fe3GeTe2 flakes (∼200 K). Our work provides a universal, contactless, and nondestructive approach for studying the physical properties of skyrmions in 2D vdW magnetic materials while adding another degree of freedom to the modulation of skyrmions.

8.
Int J Mol Sci ; 25(12)2024 Jun 18.
Artigo em Inglês | MEDLINE | ID: mdl-38928423

RESUMO

In recent years, heavy metal pollution has become increasingly prominent, severely damaging ecosystems and biodiversity, and posing a serious threat to human health. However, the results of current methods for heavy metal restoration are not satisfactory, so it is urgent to find a new and effective method. Peptides are the units that make up proteins, with small molecular weights and strong biological activities. They can effectively repair proteins by forming complexes, reducing heavy metal ions, activating the plant's antioxidant defense system, and promoting the growth and metabolism of microorganisms. Peptides show great potential for the remediation of heavy metal contamination due to their special structure and properties. This paper reviews the research progress in recent years on the use of peptides to remediate heavy metal pollution, describes the mechanisms and applications of remediation, and provides references for the remediation of heavy metal pollution.


Assuntos
Metais Pesados , Peptídeos , Metais Pesados/química , Peptídeos/química , Peptídeos/metabolismo , Biodegradação Ambiental , Recuperação e Remediação Ambiental/métodos , Humanos , Poluentes do Solo/metabolismo , Poluentes do Solo/química
9.
Microorganisms ; 12(6)2024 Jun 05.
Artigo em Inglês | MEDLINE | ID: mdl-38930528

RESUMO

Microplastics (MPs), found in many places around the world, are thought to be more detrimental than other forms of plastics. At present, physical, chemical, and biological methods are being used to break down MPs. Compared with physical and chemical methods, biodegradation methods have been extensively studied by scholars because of their advantages of greenness and sustainability. There have been numerous reports in recent years summarizing the microorganisms capable of degrading MPs. However, there is a noticeable absence of a systematic summary on the technology for breeding strains that can degrade MPs. This paper summarizes the strain-breeding technology of MP-degrading strains for the first time in a systematic way, which provides a new idea for the breeding of efficient MP-degrading strains. Meanwhile, potential techniques for breeding bacteria that can degrade MPs are proposed, providing a new direction for selecting and breeding MP-degrading bacteria in the future. In addition, this paper reviews the sources and pollution status of soil MPs, discusses the current challenges related to the biodegradation of MPs, and emphasizes the safety of MP biodegradation.

10.
Toxics ; 12(6)2024 May 30.
Artigo em Inglês | MEDLINE | ID: mdl-38922080

RESUMO

Since industrialization, global temperatures have continued to rise. Human activities have resulted in heavy metals being freed from their original, fixed locations. Because of global warming, glaciers are melting, carbon dioxide concentrations are increasing, weather patterns are shifting, and various environmental forces are at play, resulting in the movement of heavy metals and alteration of their forms. In this general context, the impact of heavy metals on ecosystems and organisms has changed accordingly. For most ecosystems, the levels of heavy metals are on the rise, and this rise can have a negative impact on the ecosystem as a whole. Numerous studies have been conducted to analyze the combined impacts of climate change and heavy metals. However, the summary of the current studies is not perfect. Therefore, this review discusses how heavy metals affect ecosystems during the process of climate change from multiple perspectives, providing some references for addressing the impact of climate warming on environmental heavy metals.

11.
Foods ; 13(9)2024 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-38731767

RESUMO

The diversity of alcohol beverage microorganisms is of great significance for improving the brewing process and the quality of alcohol beverage products. During the process of making alcoholic beverages, a group of microorganisms, represented by yeast and lactic acid bacteria, conducts fermentation. These microorganisms have complex synergistic or competitive relationships, and the participation of different microorganisms has a major impact on the fermentation process and the flavor and aroma of the product. Strain selection is one of the key steps. Utilizing scientific breeding technology, the relationship between strains can be managed, the composition of the alcoholic beverage microbial community can be improved, and the quality and flavor of the alcoholic beverage products can be increased. Currently, research on the microbial diversity of alcohol beverages has received extensive attention. However, the selection technology for dominant bacteria in alcohol beverages has not yet been systematically summarized. To breed better-quality alcohol beverage strains and improve the quality and characteristics of wine, this paper introduces the microbial diversity characteristics of the world's three major brewing alcohols: beer, wine, and yellow wine, as well as the breeding technologies of related strains. The application of culture selection technology in the study of microbial diversity of brewed wine was reviewed and analyzed. The strain selection technology and alcohol beverage process should be combined to explore the potential application of a diverse array of alcohol beverage strains, thereby boosting the quality and flavor of the alcohol beverage and driving the sustainable development of the alcoholic beverage industry.

12.
BMC Genomics ; 25(1): 456, 2024 May 10.
Artigo em Inglês | MEDLINE | ID: mdl-38730418

RESUMO

In this study, we investigated the codon bias of twelve mitochondrial core protein coding genes (PCGs) in eight Pleurotus strains, two of which are from the same species. The results revealed that the codons of all Pleurotus strains had a preference for ending in A/T. Furthermore, the correlation between codon base compositions and codon adaptation index (CAI), codon bias index (CBI) and frequency of optimal codons (FOP) indices was also detected, implying the influence of base composition on codon bias. The two P. ostreatus species were found to have differences in various base bias indicators. The average effective number of codons (ENC) of mitochondrial core PCGs of Pleurotus was found to be less than 35, indicating strong codon preference of mitochondrial core PCGs of Pleurotus. The neutrality plot analysis and PR2-Bias plot analysis further suggested that natural selection plays an important role in Pleurotus codon bias. Additionally, six to ten optimal codons (ΔRSCU > 0.08 and RSCU > 1) were identified in eight Pleurotus strains, with UGU and ACU being the most widely used optimal codons in Pleurotus. Finally, based on the combined mitochondrial sequence and RSCU value, the genetic relationship between different Pleurotus strains was deduced, showing large variations between them. This research has improved our understanding of synonymous codon usage characteristics and evolution of this important fungal group.


Assuntos
Uso do Códon , Genoma Mitocondrial , Pleurotus , Pleurotus/genética , Códon/genética , Composição de Bases , Especificidade da Espécie , Seleção Genética , Evolução Molecular , Variação Genética
13.
Genes (Basel) ; 15(5)2024 04 23.
Artigo em Inglês | MEDLINE | ID: mdl-38790155

RESUMO

This study utilized 16S rRNA high-throughput sequencing technology to analyze the community structure and function of endophytic bacteria within the roots of three plant species in the vanadium-titanium-magnetite (VTM) mining area. The findings indicated that mining activities of VTM led to a notable decrease in both the biodiversity and abundance of endophytic bacteria within the root systems of Eleusine indica and Carex (p < 0.05). Significant reductions were observed in the populations of Nocardioides, concurrently with substantial increments in the populations of Pseudomonas (p < 0.05), indicating that Pseudomonas has a strong adaptability to this environmental stress. In addition, ß diversity analysis revealed divergence in the endophytic bacterial communities within the roots of E. indica and Carex from the VTM mining area, which had diverged to adapt to the environmental stress caused by mining activity. Functional enrichment analysis revealed that VTM mining led to an increase in polymyxin resistance, nicotinate degradation I, and glucose degradation (oxidative) (p < 0.05). Interestingly, we found that VTM mining did not notably alter the endophytic bacterial communities or functions in the root systems of Dodonaea viscosa, indicating that this plant can adapt well to environmental stress. This study represents the primary investigation into the influence of VTM mining activities on endophytic bacterial communities and the functions of nearby plant roots, providing further insight into the impact of VTM mining activities on the ecological environment.


Assuntos
Endófitos , Mineração , Raízes de Plantas , Titânio , Vanádio , Vanádio/farmacologia , Raízes de Plantas/microbiologia , Endófitos/genética , Bactérias/genética , Bactérias/classificação , Bactérias/efeitos dos fármacos , RNA Ribossômico 16S/genética , Microbiologia do Solo , Biodiversidade
14.
J Fungi (Basel) ; 10(5)2024 Apr 24.
Artigo em Inglês | MEDLINE | ID: mdl-38786661

RESUMO

Mining activities in the kaolin mining area have led to the disruption of the ecological health of the mining area and nearby soils, but the effects on the fungal communities in the rhizosphere soils of the plants are not clear. Three common plants (Conyza bonariensis, Artemisia annua, and Dodonaea viscosa) in kaolin mining areas were selected and analyzed their rhizosphere soil fungal communities using ITS sequencing. The alpha diversity indices (Chao1, Shannon, Simpson, observed-species, pielou-e) of the fungal communities decreased to different extents in different plants compared to the non-kauri mining area. The ß-diversity (PCoA, NMDS) analysis showed that the rhizosphere soil fungal communities of the three plants in the kaolin mine area were significantly differentiated from those of the control plants grown in the non-kaolin mine area, and the extent of this differentiation varied among the plants. The analysis of fungal community composition showed that the dominant fungi in the rhizosphere fungi of C. bonariensis and A. annua changed, with an increase in the proportion of Mycosphaerella (genus) by about 20% in C. bonariensis and A. annua. An increase in the proportion of Didymella (genus) by 40% in D. viscosa was observed. At the same time, three plant rhizosphere soils were affected by kaolin mining activities with the appearance of new fungal genera Ochrocladosporium and Plenodomus. Predictive functional potential analysis of the samples revealed that a significant decrease in the potential of functions such as biosynthesis and glycolysis occurred in the rhizosphere fungal communities of kaolin-mined plants compared to non-kaolin-mined areas. The results show that heavy metals and plant species are the key factors influencing these changes, which suggests that selecting plants that can bring more abundant fungi can adapt to heavy metal contamination to restore soil ecology in the kaolin mining area.

15.
Cells ; 13(9)2024 Apr 30.
Artigo em Inglês | MEDLINE | ID: mdl-38727307

RESUMO

Tumor necrosis factor-α-induced protein 8-like 3 (TNFAIP8L3 or TIPE3) functions as a transfer protein for lipid second messengers. TIPE3 is highly upregulated in several human cancers and has been established to significantly promote tumor cell proliferation, migration, and invasion and inhibit the apoptosis of cancer cells. Thus, inhibiting the function of TIPE3 is expected to be an effective strategy against cancer. The advancement of artificial intelligence (AI)-driven drug development has recently invigorated research in anti-cancer drug development. In this work, we incorporated DFCNN, Autodock Vina docking, DeepBindBC, MD, and metadynamics to efficiently identify inhibitors of TIPE3 from a ZINC compound dataset. Six potential candidates were selected for further experimental study to validate their anti-tumor activity. Among these, three small-molecule compounds (K784-8160, E745-0011, and 7238-1516) showed significant anti-tumor activity in vitro, leading to reduced tumor cell viability, proliferation, and migration and enhanced apoptotic tumor cell death. Notably, E745-0011 and 7238-1516 exhibited selective cytotoxicity toward tumor cells with high TIPE3 expression while having little or no effect on normal human cells or tumor cells with low TIPE3 expression. A molecular docking analysis further supported their interactions with TIPE3, highlighting hydrophobic interactions and their shared interaction residues and offering insights for designing more effective inhibitors. Taken together, this work demonstrates the feasibility of incorporating deep learning and MD simulations in virtual drug screening and provides inhibitors with significant potential for anti-cancer drug development against TIPE3-.


Assuntos
Antineoplásicos , Proliferação de Células , Peptídeos e Proteínas de Sinalização Intracelular , Humanos , Antineoplásicos/farmacologia , Apoptose/efeitos dos fármacos , Linhagem Celular Tumoral , Movimento Celular/efeitos dos fármacos , Proliferação de Células/efeitos dos fármacos , Aprendizado Profundo , Peptídeos e Proteínas de Sinalização Intracelular/metabolismo , Peptídeos e Proteínas de Sinalização Intracelular/antagonistas & inibidores , Simulação de Acoplamento Molecular , Neoplasias/tratamento farmacológico , Neoplasias/metabolismo , Neoplasias/patologia , Bibliotecas de Moléculas Pequenas/farmacologia , Bibliotecas de Moléculas Pequenas/química
16.
J Chem Inf Model ; 64(9): 3933-3941, 2024 May 13.
Artigo em Inglês | MEDLINE | ID: mdl-38666964

RESUMO

ß-Amyrin synthase (bAS) is a representative plant oxidosqualene cyclase (OSC), and previous studies have identified many functional residues and mutants that can alter its catalytic activity. However, the regulatory mechanism of the active site architecture for adjusting the catalytic activity remains unclear. In this study, we investigate the function of key residues and their regulatory effects on the catalytic activity of Glycyrrhiza glabra ß-amyrin synthase (GgbAS) through molecular dynamics simulations and site-directed mutagenesis experiments. We identified the plasticity residues located in two active site regions and explored the interactions between these residues and tetracyclic/pentacyclic intermediates. Based on computational and experimental results, we further categorize these plasticity residues into three types: effector, adjuster, and supporter residues, according to their functions in the catalytic process. This study provides valuable insights into the catalytic mechanism and active site plasticity of GgbAS, offering important references for the rational enzyme engineering of other OSC enzyme.


Assuntos
Biocatálise , Domínio Catalítico , Transferases Intramoleculares , Simulação de Dinâmica Molecular , Transferases Intramoleculares/metabolismo , Transferases Intramoleculares/química , Transferases Intramoleculares/genética , Mutagênese Sítio-Dirigida
17.
Food Chem ; 448: 139064, 2024 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-38547705

RESUMO

This study explored the differences in the in vitro fermentation properties of rice starch (RS) and rice starch-anthocyanins complexes (RS-A). Structural characterization suggested that RS and RS-A complexes showed a V-type crystalline structure. The degree of order (DO) and degree of double helix (DD) values of RS and RS-A complexes were enhanced after fermentation. Moreover, the RS-A complexes could improve the relative abundance of Bacteroidetes, Ruminococcaceae, and up-regulate gut microbiota diversity to maintain gut homeostasis. Relative abundance of potential metabolic pathways, such as energy metabolism, digestion system, and carbohydrate degradation overexpressed in the presence of RS-A complexes. The results demonstrated that the RS-A complexes had slower fermentation rates contributing to the transport of the formed short-chain fatty acid (SCFA) to the end of the colon and that the crystallinity might be a factor influencing the utilization of the starch matrix by the gut microbiota for SCFA formation.


Assuntos
Bactérias , Ácidos Graxos Voláteis , Fermentação , Microbioma Gastrointestinal , Oryza , Amido , Oryza/metabolismo , Oryza/química , Oryza/microbiologia , Amido/metabolismo , Amido/química , Bactérias/metabolismo , Bactérias/genética , Bactérias/química , Bactérias/classificação , Ácidos Graxos Voláteis/metabolismo , Ácidos Graxos Voláteis/química , Redes e Vias Metabólicas , Humanos
18.
Int J Biol Macromol ; 266(Pt 1): 131232, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38554896

RESUMO

Inflammatory bowel diseases (IBD) are chronic inflammatory conditions characterized by disruptions in the colonic mucus barrier and gut microbiota. In this study, a novel soluble polysaccharide obtained from Boletus aereus (BAP) through water extraction was examined for its structure. The protective effects of BAP on colitis were investigated using a DSS-induced mice model. BAP was found to promote the expression of intestinal mucosal and tight junction proteins, restore the compromised mucus barrier, and suppress the activation of inflammatory signaling. Moreover, BAP reshape the gut microbiota and had a positive impact on the composition of the gut microbiota by reducing inflammation-related microbes. Additionally, BAP decreased cytokine levels through the MANF-BATF2 signaling pathway. Correlation analysis revealed that MANF was negatively correlated with the DAI and the level of cytokines. Furthermore, the depletion of gut microbiota using antibiotic partially inhabited the effect of BAP on the activation of MANF and Muc2, indicating the role of gut microbiota in its protective effect against colitis. In conclusion, BAP had an obvious activation on MANF under gut inflammation. This provides new insights into the prospective use of BAP as a functional food to enhance intestinal health.


Assuntos
Colite , Sulfato de Dextrana , Microbioma Gastrointestinal , Mucina-2 , Transdução de Sinais , Animais , Microbioma Gastrointestinal/efeitos dos fármacos , Mucina-2/metabolismo , Mucina-2/genética , Colite/induzido quimicamente , Colite/tratamento farmacológico , Colite/metabolismo , Camundongos , Transdução de Sinais/efeitos dos fármacos , Mucosa Intestinal/efeitos dos fármacos , Mucosa Intestinal/metabolismo , Mucosa Intestinal/patologia , Modelos Animais de Doenças , Polissacarídeos/farmacologia , Polissacarídeos/química , Citocinas/metabolismo , Basidiomycota/química , Masculino , Polissacarídeos Fúngicos/farmacologia , Polissacarídeos Fúngicos/química
19.
J Biomol Struct Dyn ; : 1-18, 2024 Feb 29.
Artigo em Inglês | MEDLINE | ID: mdl-38425011

RESUMO

Bromine-containing domain protein 4 (BRD4) plays a crucial role in regulating transcription and genome stability. Selective inhibitors of BRD4-BD1 can specifically target specific bromine domains to affect cell proliferation, apoptosis, and differentiation. In this work, 43 selective benzoazepinone BRD4-BD1 inhibitors were studied using molecular simulations and three-dimensional quantitative conformation relationships (3D-QSAR). A reliable 3D-QSAR model was established based on COMFA (Q2 = 0.532, R2 = 0.981) and COMSIA (S + E + H (Q2 = 0.536, R2 = 0.979) two different analysis methods. Through 3D-QSAR model prediction and quantum chemical analysis, 15 small molecules with stronger inhibitory activity than the template compounds were constructed, and 5 new compounds with higher predictive activity and binding affinity were screened by molecular docking and ADMET methods. According to the molecular dynamics simulation, the key residues that can interact with BRD4-BD1 protein and molecular docking results are consistent, including ASN140, MET132, GLN85, MET105, ASN135 and TYR97. From the MD trajectory, we calculated and analyzed RMSD, RMSF, free binding energy, FECM, DCCM and PCA, the loop region formed by amino acids VAL45∼PRO62 showed α-helix, ß-folding and clustering towards the active center with the extension of simulation time. Further optimization of the structure of active candidate compounds A6, A11, A14, and A15 will provide the necessary theoretical basis for the synthesis and activity evaluation of novel BRD4-BD1 inhibitors.Communicated by Ramaswamy H. Sarma.

20.
Adv Sci (Weinh) ; 11(17): e2308530, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38348594

RESUMO

Rechargeable Li metal batteries have the potential to meet the demands of high-energy density batteries for electric vehicles and grid-energy storage system applications. Achieving this goal, however, requires resolving not only safety concerns and a shortened battery cycle life arising from a combination of undesirable lithium dendrite and solid-electrolyte interphase formations. Here, a series of microcrack-free anionic network polymer membranes formed by a facile one-step click reaction are reported, displaying a high cation conductivity of 3.1 × 10-5 S cm-1 at high temperature, a wide electrochemical stability window up to 5 V, a remarkable resistance to dendrite growth, and outstanding non-flammability. These enhanced properties are attributed to the presence of tethered borate anions in microcrack-free membranes, which benefits the acceleration of selective Li+ cations transport as well as suppression of dendrite growth. Ultimately, the microcrack-free anionic network polymer membranes render Li metal batteries a safe and long-cyclable energy storage device at high temperatures with a capacity retention of 92.7% and an average coulombic efficiency of 99.867% at 450 cycles.

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