Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 1.190
Filtrar
1.
Front Chem ; 10: 871509, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-35572116

RESUMO

The pandemic caused by SARS-CoV-2 is the most widely spread disease in the 21st century. Due to the continuous emergence of variants across the world, it is necessary to expand our understanding of host-virus interactions and explore new agents against SARS-CoV-2. In this study, it was found exopolysaccharides (EPSs) from halophilic archaeon Haloarcula hispanica ATCC33960 can bind to the spike protein of SARS-CoV-2 with the binding constant KD of 2.23 nM, block the binding of spike protein to Vero E6 and bronchial epithelial BEAS-2B cells, and inhibit pseudovirus infection. However, EPSs from the gene deletion mutant △HAH_1206 almost completely lost the antiviral activity against SARS-CoV-2. A significant reduction of glucuronic acid (GlcA) and the sulfation level in EPSs of △HAH_1206 was clearly observed. Our results indicated that sulfated GlcA in EPSs is possible for a main structural unit in their inhibition of binding of SARS-CoV-2 to host cells, which would provide a novel antiviral mechanism and a guide for designing new agents against SARS-CoV-2.

2.
Brief Bioinform ; 2022 Apr 30.
Artigo em Inglês | MEDLINE | ID: mdl-35511110

RESUMO

BACKGROUND: The long reads of the third-generation sequencing significantly benefit the quality of the de novo genome assembly. However, its relatively high single-base error rate has been criticized. Currently, sequencing accuracy and throughput continue to improve, and many advanced tools are constantly emerging. PacBio HiFi sequencing and Oxford Nanopore Technologies (ONT) PromethION are two up-to-date platforms with low error rates and ultralong high-throughput reads. Therefore, it is urgently needed to select the appropriate sequencing platforms, depths and genome assembly tools for high-quality genomes in the era of explosive data production. METHODS: We performed 455 (7 assemblers with 4 polishing pipelines or without polishing on 13 subsets with different depths) and 88 (4 assemblers with or without polishing on 11 subsets with different depths) de novo assemblies of Yeast S288C on high-coverage ONT and HiFi datasets, respectively. The assembly quality was evaluated by Quality Assessment Tool (QUAST), Benchmarking Universal Single-Copy Orthologs (BUSCO) and the newly proposed Comprehensive_score (C_score). In addition, we applied four preferable pipelines to assemble the genome of nonreference yeast strains. RESULTS: The assembler plays an essential role in genome construction, especially for low-depth datasets. For ONT datasets, Flye is superior to other tools through C_score evaluation. Polishing by Pilon and Medaka improve accuracy and continuity of the preassemblies, respectively, and their combination pipeline worked well in most quality metrics. For HiFi datasets, Flye and NextDenovo performed better than other tools, and polishing is also necessary. Enough data depth is required for high-quality genome construction by ONT (>80X) and HiFi (>20X) datasets.

3.
Nutrition ; 99-100: 111627, 2022 Feb 05.
Artigo em Inglês | MEDLINE | ID: mdl-35551015

RESUMO

OBJECTIVE: The aim of this study was to investigate the relationship between 25-hydroxyvitamin D3 (25[OH]D3) and ischemic stroke and its potential modifying factors in rural Chinese adults. METHODS: This nested case-control study was drawn from the H-type Hypertension and Stroke Prevention and Control Project, a community-based, prospective, observational study. Plasma 25(OH)D3 was measured by liquid chromatography with tandem quadrupole mass spectrometry. All stroke records came from the Chinese Center for Disease Control and Prevention. Multiple logistic regression models were used to evaluate the association between 25(OH)D3 and risk of ischemic stroke. RESULTS: We included 1079 participants with ischemic stroke and 1079 matched controls. Due to a non-linear relationship, the analyses were stratified by 25(OH)D3. For those with 25(OH)D3 < 20 ng/mL, there was a 15% reduction in the risk of ischemic stroke for each SD increment in 25(OH)D3 (odds ratio, 0.85; 95% confidence interval, 0.73-0.99). Compared with the lowest-tertile group, the risk of ischemic stroke decreased by 39% (odds ratio, 0.61; 95% confidence interval, 0.41-0.89) in the highest-tertile group. Furthermore, two effect modifiers were identified: diabetes and homocysteine level. Although participants with 25(OH)D3 ≥ 20 ng/mL had the lowest risk of ischemic stroke overall, there was no dose-response association within that range. CONCLUSIONS: An inverse dose-response association between 25(OH)D3 and incident risk of ischemic stroke in rural Chinese adults was only observed in those with 25(OH)D3 < 20 ng/mL, along with two effect modifiers. Higher levels of 25(OH)D3 did not confer additional benefit.

4.
J Environ Manage ; 316: 115155, 2022 May 10.
Artigo em Inglês | MEDLINE | ID: mdl-35561490

RESUMO

Landfilling and burning plastic waste, especially waste polyvinyl chloride (PVC), can produce highly toxic and carcinogenic by-products that threaten the ecosystem and human health. However, there is still a lack of proper methods for waste PVC recycling. Therefore, developing feasible ways for waste PVC recovery is urgently needed. The purpose of this study is to analyze the characteristics of PVC-based adsorptive nanofiber membranes and test their ability for the treatment of wastewater containing Cibacron Brilliant Yellow 3G-P, a widely used reactive dye. The polyethylenimine/polyvinyl chloride membrane (PEI/PVCM) was characterized by FTIR, FE-SEM, TGA, tensile analysis, water contact angle measurement, and zeta-potential analysis. The FTIR analysis confirmed that the PEI has successfully crosslinked with PVC. The FE-SEM images showed that the nanofibers constituting PEI/PVCM are compact with an average fiber diameter of 181 nm. The TGA results showed that the membrane was able to remain stable in wastewater below 150 °C. The average stress and strain of the PEI/PVCM were 7.64 ± 0.32 MPa and 934.14 ± 48.12%, respectively. The water contact angle and zeta potential analysis showed that after the introduction of PEI, the membrane converted from hydrophobic to hydrophilic, and the pHpzc was increased from 3.1 to 1.08. The pure water flux of the membrane was measured at 0.1 MPa and the result was 3013 ± 60 L/m2‧h. The wastewater purification capability of PEI/PVCM was measured at an initial dye concentration of 10 ppm and pH 4-9 at 0.1 MPa. The reusability of PEI/PVCM was verified through three adsorption-desorption cycles. The results demonstrated that the PEI/PVCM is a reusable membrane for efficient purification of wastewater containing reactive dyes over a wide pH range (pH 4-8).

5.
Nutr J ; 21(1): 29, 2022 May 13.
Artigo em Inglês | MEDLINE | ID: mdl-35562805

RESUMO

BACKGROUND AND AIMS: Clarifying the association between 5-methyltetrahydrofolate and homocysteine and the effect pattern of methylene tetrahydrofolate reductase (MTHFR C677T) may contribute to the management of homocysteine and may serve as a significant reference for a randomized controlled trial of 5-methyltetrahydrofolate intervention. This study aimed to reveal the association between these two biochemical indices. METHODS: Study population was drawn from the baseline data of the China Stroke Primary Prevention Trial (CSPPT), including 2328 hypertensive participants. 5-methyltetrahydrofolate and homocysteine were determined by stable-isotope dilution liquid chromatography-tandem mass spectrometry and automatic clinical analyzers, respectively. MTHFR C677T polymorphisms were detected using TaqMan assay. Multiple linear regression was performed to evaluate the association between serum 5-methyltetrahydrofolate and homocysteine. RESULTS: There was a significant inverse association between 5-methyltetrahydrofolate and homocysteine when 5-methyltetrahydrofolate was ≤ 10 ng/mL, and this association was modified by MTHFR C677T (per 1-ng/mL increment; All: ß = - 0.50, P <  0.001; CC: ß = - 0.14, P = 0.087; CT: ß = - 0.20, P = 0.011; TT: ß = - 1.19, P <  0.001). Moreover, the decline in trend in genotype TT participants was stronger than in genotype CC participants (P for difference <  0.001) and genotype CT participants (P for difference <  0.001), while there was no significant difference between genotype CC and genotype CT participants (P for difference = 0.757). CONCLUSIONS: Our data showed a non-linear association between serum homocysteine and 5-methyltetrahydrofolate among Chinese hypertensive adults, however, it could be inversely linearly fitted when serum 5-methyltetrahydrofolate was ≤ 10 ng/mL, and this association was modified by MTHFR C677T.

6.
Comput Biol Med ; 146: 105528, 2022 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-35490643

RESUMO

The central aortic pressure (CAP) provides insights into the prediction, prevention, diagnosis, and treatment of cardiovascular disease, but can't be directly measured non-invasively. Therefore, the development of a noninvasive CAP estimation method based on the non-invasively measured peripheral pressure waveform is critical for clinical decisions based on the CAP. Some existing widely applied methods, such as the generalized transfer function (GTF) method relating measured peripheral pressure to the CAP, do not or only partly account for inter-subject or intra-subject variability of the cardiovascular system. To overcome this pitfall, we propose a subject-specific central aortic pressure estimation method in this paper. The novel method presented can derive an accurate aortic pressure from the peripheral pressure based on an individualized pulse wave propagation model using a GTF method as a first guess. To develop a strategy to personalize a pulse wave propagation model one usually needs to optimize many input parameters. Therefore, we present a two-step approach with the screening method of Morris and the adaptive sparse generalized polynomial chaos expansion (agPCE) algorithm for the sensitivity analysis of the wave propagation model. First, for a-priori defined output of the model, a subset of important parameters is identified using the screening method of Morris. Next, a quantitative variance-based sensitivity analysis is performed using agPCE. This approach is applied to a 1D pulse wave propagation model to get the personalized parameters of the pulse wave propagation model for the estimation of a subject-specific central aortic pressure waveform and is validated with 26 patients. Compared with the GTF method, the proposed method showed better performance in estimating the central aortic pulse wave and predicting the parameters.

7.
J Hematol Oncol ; 15(1): 55, 2022 05 07.
Artigo em Inglês | MEDLINE | ID: mdl-35526043

RESUMO

Lysophosphatidic acid (LPA) is a naturally occurring phospholipid that regulates cell proliferation, survival, and migration. However, its role on human multiple myeloma (MM) cells is largely unknown. In this study, we show that LPA, which is highly elevated in MM patients, plays an important role in protecting human MM cells against proteasome inhibitor (PI)-induced apoptosis. LPA bound to its receptor LPAR2 activated its downstream MEK1/2-ERK1/2 signaling pathway and enhanced oxidative phosphorylation (OXPHOS) in mitochondria in MM cells. Increased OXPHOS activity produced more NAD+ and ATP, reduced proteasome activity, and enhanced protein folding and refolding in endoplasmic reticulum (ER), leading to induction of MM resistance to PIs. Importantly, inhibiting LPAR2 activity or knocking out LPAR2 in MM cells significantly enhanced MM sensitivity to PI-induced apoptosis in vitro and in vivo. Interestingly, primary MM cells from LPA-high patients were more resistant to PI-induced apoptosis than MM cells from LPA-low patients. Thus, our study indicates that LPA-LPAR2-mediated signaling pathways play an important role in MM sensitivity to PIs and targeting LPA or LPAR2 may potentially be used to (re)sensitize patients to PI-based therapy.


Assuntos
Mieloma Múltiplo , Inibidores de Proteassoma , Apoptose , Humanos , Lisofosfolipídeos/metabolismo , Lisofosfolipídeos/farmacologia , Mieloma Múltiplo/tratamento farmacológico , Mieloma Múltiplo/metabolismo
9.
Nanoscale ; 2022 May 12.
Artigo em Inglês | MEDLINE | ID: mdl-35548886

RESUMO

2D platinum ditelluride (PtTe2) has received significant attention for 2D photodetector applications due to its novel physical properties. One of the critical factors that affect device performance is the film quality. Here, using molecular beam epitaxy, we investigate the role of growth temperature in determining the film quality of PtTe2 on highly oriented pyrolytic graphite, and unveil its layer-dependent electronic properties by X-ray photoelectron spectroscopy, Raman spectroscopy, and scanning tunneling microscopy/spectroscopy (STM/STS), as well as density functional theory (DFT) calculations. At low growth temperature (≤250 °C), the PtTe2 film prefers a stack of the monolayer and bilayer, while at ≈300 °C large-area continuous bilayer films are formed. In contrast, high growth temperature (>300 °C) leads to the formation of thick films with high Te deficiency and poor crystallinity. Theoretical calculations confirm the higher thermal stability of bilayer PtTe2 over other layer numbers above a critical crystal size of ≈100 nm2. STS shows that PtTe2 is a semiconductor in the monolayer with a bandgap of 0.80 ± 0.05 eV, and changes to a semimetal from the bilayer. DFT calculations support our experimental results and suggest an indirect bandgap structure of the monolayer. This work provides a systematic study of the layer-dependent electronic structure of 2D PtTe2, and demonstrates that with appropriate substrate and growth temperature choices, high-quality ultrathin PtTe2 films can be obtained, important for device applications.

10.
Front Cell Dev Biol ; 10: 877892, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-35557948

RESUMO

Past studies on the protective effects of chitosan oligosaccharides (COS) on inflammatory bowel disease (IBD) commonly rely on animal models, because traditional cell culture systems couldn't faithfully mimic human intestinal physiology. Here a novel human gut-on-a-chip microsystem was established to further explore the regulatory effects of COS on the occurrence and development of human enteritis. By constructing an intestinal injury model caused by dextran sodium sulfate (DSS) on the chip, this study proved that COS can reduce intestinal epithelial injury by promoting the expression of the mucous layer for the first time. By establishing an inflammatory bowel disease model on the chip caused by E. coli 11775, this study demonstrated that COS can protect the intestinal epithelial barrier and vascular endothelial barrier by inhibiting the adhesion and invasion of E. coli 11775 for the first time. In addition, similar to the results in vivo, COS can decrease the inflammatory response by reducing the expression of toll-like receptor 4 protein and reducing the nuclear DNA binding rate of nuclear factor kappa-B protein on this chip. In summary, COS can be used as a potential drug to treat human IBD and the human gut-on-a-chip would be used as a platform for quick screening drugs to treat human IBD in future.

11.
ACS Omega ; 7(13): 11276-11284, 2022 Apr 05.
Artigo em Inglês | MEDLINE | ID: mdl-35415337

RESUMO

Integrating fluorescent chromophores in aromatic frameworks could not only prevent aggregation-induced quenching caused by the π-π stacking interaction between the chromophore components but also confer new fluorescence properties. Herein, we report the fabrication of s-tetrazine-bridged aromatic frameworks TzAF by the incorporation of the smallest aromatic fluorophore, s-tetrazine (Tz), into the skeleton of a tetrahedrally connected lattice of aromatic frameworks. The thin films of TzAF coated on silica gel plates were found to exhibit reversible photoswitching fluorescence characteristics under alternate UV and visible-light irradiations with excellent fluorescence stability and high on/off contrast. The repeatable "on/off"fluorescence photoswitchability of the TzAF thin films was mechanistically attributed to light-induced reversible transformation between TzAF's neutral and radical states.

12.
Med Oncol ; 39(5): 80, 2022 Apr 28.
Artigo em Inglês | MEDLINE | ID: mdl-35477821

RESUMO

BACKGROUND: Colorectal cancer (CRC) is among the leading cause of cancer-related morbidity and mortality worldwide. Aerobic glycolysis, as a metabolic hallmark of cancer, plays an important role in CRC progression. Enolase 3 (ENO3) is a glycolytic enzyme that catalyzes 2-phosphoglycerate into phosphoenolpyruvate, while its role in CRC is still unknown. METHODS: Bioinformatics analysis was performed to examine the expression changes and roles of ENO3 in CRC patients from public databases. Then, ENO3 expression was validated in CRC tissues using Quantitative real-time PCR (qRT-PCR), immunohistochemical (IHC) analysis, and western blot. Overexpression and silencing models were constructed using plasmid and lentivirus transfection. Cell viability, proliferation, and migration in vitro were applied to evaluate the protumoral effects of ENO3 on CRC. RNA sequencing and GO enrichment analysis of differentially expressed genes (DEGs) were performed to explore the underlying molecular mechanisms of ENO3 in CRC progression. The ATP and lactate production level were detected to assess cell glycolysis. RESULTS: ENO3 was significantly up-regulated in CRC. High ENO3 expression was positively correlated with poor prognosis and higher clinical stages of CRC patients. ROC curve demonstrated the diagnostic value of ENO3 for CRC with the AUC of 0.802. Gain- and loss-of function experiments demonstrated that ENO3 significantly enhanced the proliferation and migration ability of CRC cells in vitro. After ENO3 knockdown, RNA sequencing screened out a list of DEGs which were enriched in the regulation of the glycolytic process. The detection of lactate production and ATP level verified the role of ENO3 in the glycolytic process. CONCLUSION: Our findings illustrate that ENO3 could promote the progression of CRC by the enhancement of cell glycolysis, indicating the potential value of ENO3 as a novel biomarker and therapeutic target for CRC.


Assuntos
Neoplasias Colorretais , Fosfopiruvato Hidratase , Trifosfato de Adenosina/metabolismo , Linhagem Celular Tumoral , Movimento Celular/genética , Proliferação de Células/genética , Neoplasias Colorretais/metabolismo , Glicólise , Humanos , Lactatos , Fosfopiruvato Hidratase/genética , Fosfopiruvato Hidratase/metabolismo
13.
Arch Microbiol ; 204(5): 239, 2022 Apr 03.
Artigo em Inglês | MEDLINE | ID: mdl-35366688

RESUMO

Chemical composition, antimicrobial, antioxidant, and cytotoxic properties of Actinidia arguta essential oil (AEO) were evaluated. Gas chromatography-mass spectrometry analysis identified 56 chemical compounds, with the most abundant being Squalene (23.08%), γ-sitrostorol (8.10%), and ß-Tocopherol (7.01%). Whereas the AEO had significant antimicrobial activity against Staphylococcus aureus and Saccharomyces cerevisiae, it showed mild efficacy against Bacillus subtilis and Microsporum canis. On the contrary, the Gram-negative bacteria, Escherichia coli and Pseudomonas aeruginosa, were not susceptible to the AEO pressure. On the other hand, the AEO exhibited strong antioxidant activity against 1,1-diphenyl-2-picrylhydrazyl (DPPH), ß-carotene, and hydroxyl radicals, with IC50 values of 117.60, 73.60, and 35.15 µg/mL, respectively. Additionally, compared to the PC-3 or HT-29 cell lines, the A549 cells were more susceptible to the AEO (IC50; 6.067 mg/mL). Besides, the confocal laser scanning microscopy imaging showed that 16 mg/mL of the AEO-induced apoptosis in the A549 cell lines. Our data indicated that the AEO might be useful in the food and pharmaceutical industry. Preparation of Actinidia arguta essential oil (a) and schematic overview of the experiment (b).


Assuntos
Actinidia , Anti-Infecciosos , Óleos Voláteis , Antibacterianos/farmacologia , Anti-Infecciosos/química , Anti-Infecciosos/farmacologia , Antioxidantes/análise , Óleos Voláteis/química , Óleos Voláteis/farmacologia
14.
Oxid Med Cell Longev ; 2022: 6260102, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-35432726

RESUMO

Methods: C57/BL6 wild-type (WT) and NLRP3-KO mice were used to construct middle cerebral artery occlusion (MCAO) models. 2,3,5-Triphenyltetrazolium chloride (TTC) was used to evaluate brain damage, and neurological deficits were assessed. Then, lung tissue injury was examined in the different groups of mice by hematoxylin-eosin (HE) staining. Inflammation (macrophage and neutrophil infiltration, NLRP3-associated inflammatory molecules) and oxidative stress (reactive oxygen species, ROS) in the lungs were comprehensively examined by immunofluorescence staining and Western blotting. Results: First, our findings demonstrated that NLRP3 knockout had a protective effect against cerebral ischemia-reperfusion injury after MCAO. Second, by reducing brain damage after MCAO, lung inflammation was also alleviated. Immunofluorescence staining showed that NLRP3-KO-MCAO mice had reduced inflammatory effector molecule (caspase-1 and IL-1ß) expression and macrophage and neutrophil infiltration in the lung, as well as remissive oxidative stress state in the lung, compared with WT-MCAO mice. We also observed a decrease in phosphorylated p65 (p-p65) (an NF-κB factor) in NLRP3-KO-MCAO mice, suggesting that the NF-κB pathway was involved in the protective effect of NLRP3 gene knockout on stroke-induced lung injury. Conclusions: NLRP3 inflammasome knockout not only is beneficial for cerebral ischemia-reperfusion injury but also reduces the severity of poststroke lung injury by reducing brain damage. It has been confirmed that there is a relationship between central insult and peripheral organ injury, and protecting the brain can prevent peripheral organ damage.


Assuntos
Lesões Encefálicas , Isquemia Encefálica , Lesão Pulmonar , Traumatismo por Reperfusão , Animais , Isquemia Encefálica/genética , Isquemia Encefálica/metabolismo , Infarto da Artéria Cerebral Média/metabolismo , Inflamassomos/metabolismo , Camundongos , Camundongos Knockout , NF-kappa B/metabolismo , Proteína 3 que Contém Domínio de Pirina da Família NLR/genética , Proteína 3 que Contém Domínio de Pirina da Família NLR/metabolismo , Reperfusão , Traumatismo por Reperfusão/metabolismo
16.
Opt Express ; 30(9): 15310-15326, 2022 Apr 25.
Artigo em Inglês | MEDLINE | ID: mdl-35473254

RESUMO

The transverse light-shift can induce non-negligible polarization error in the output signal of spin-exchange relaxation-free (SERF) co-magnetometer. In this paper, a novel method for rapid measurement of transverse light-shift based on the error of steady-state response of co-magnetometer is proposed firstly, then the sources of transverse light-shift in a compact SERF co-magnetometer is modeled and analyzed from three aspects: the non-ideal linear polarization of probe laser, the circular dichroism of the atomic spin ensembles, and the stress-induced birefringence effect of the cell wall. Furthermore, the decoupling and suppression methods of transverse light-shift based on a degree of circular polarization (DOCP) regulation scheme is presented, to realize the decoupling measurement of the transverse light-shift introduced by the whole co-magnetometer cell, and cancel it out with the non-ideal linear polarization of the probe laser. Eventually, the DOCP regulation scheme suggested in this paper achieves more than a 67% suppression ratio in transverse light-shift, and the short- and long-term performance of SERF co-magnetometer are improved due to the reduction of the coupling effect between the probe laser power and transverse field. Moreover, the measurement, decoupling and suppression methods provided in this paper also have the potential to be applied to other atomic sensors, such as the SERF magnetometers and nuclear spin co-magnetometers.

17.
Hum Mol Genet ; 2022 Apr 22.
Artigo em Inglês | MEDLINE | ID: mdl-35451026

RESUMO

Gout is of particularly high prevalence in the Maori and Pacific (Polynesian) populations of Aotearoa New Zealand (NZ). Here, we investigated the contribution of common population-specific CNV to gout in the Aotearoa NZ Polynesian population. Microarray-generated genome-wide genotype data from Aotearoa NZ Polynesian individuals with (n = 1196) and without (n = 1249) gout were analyzed. Comparator population groups were 552 individuals of European ancestry and 1962 of Han Chinese ancestry. Levels of circulating MHC Class I Polypeptide-related sequence A (MICA) were measured by ELISA. Fifty-four CNV regions (CNVRs) appearing in at least 10 individuals were detected, of which seven common CNVRs were specific to or amplified in Polynesian people. A burden test of these seven revealed associations of insertion/deletion with gout (OR = 1.80 [1.01; 3.22], P = 0.046). Individually testing of the seven CNVRs for association with gout revealed nominal association of CNVR1 with gout in Western Polynesian (Chr6: 31.36-31.45 Mb, OR = 1.72 [1.03; 2.92], P = 0.04), CNVR6 in the meta-analyzed Polynesian sample sets (Chr1: 196.75-196.92 Mb, OR = 1.86 [1.16; 3.00], P = 0.01) and CNVR9 in Western Polynesian (Chr1: 189.35-189.54 Mb, OR = 2.75 [1.15; 7.13], P = 0.03). Analysis of European gout genetic association data demonstrated a signal of association at the CNVR1 locus that was an expression QTL for MICA. The most common CNVR (CNVR1) includes deletion of the MICA gene, encoding an immunomodulatory protein. Expression of MICA was reduced in the serum of individuals with the deletion. In summary, we provide evidence for the association of CNVR1 containing MICA with gout in Polynesian peoples, implicating class I MHC-mediated antigen presentation in gout.

18.
Adv Mater ; : e2104113, 2022 Apr 22.
Artigo em Inglês | MEDLINE | ID: mdl-35451528

RESUMO

Owing to the rapid developments to improve the accuracy and efficiency of both experimental and computational investigative methodologies, the massive amounts of data generated have led the field of materials science into the fourth paradigm of data-driven scientific research. This transition requires the development of authoritative and up-to-date frameworks for data-driven approaches for material innovation. This review presents a critical discussion on the current advances in the data-driven discovery of materials with a focus on frameworks, machine-learning algorithms, material-specific databases, descriptors, and targeted applications in the field of inorganic materials. Frameworks for rationalizing data-driven material innovation are described, and a critical review of essential sub-disciplines is presented, including (i) advanced data-intensive strategies and machine-learning algorithms; (ii) material databases and related tools and platforms for data generation and management; (iii) commonly used molecular descriptors used in data-driven processes. Furthermore, an in-depth discussion on the broad applications of material innovation, such as energy conversion and storage, environmental decontamination, flexible electronics, optoelectronics, superconductors, metallic glasses, and magnetic materials, is provided. Finally, how these sub-disciplines (with insights into the synergy of materials science, computational tools, and mathematics) support data-driven paradigms is outlined, and the opportunities and challenges in data-driven material innovation are highlighted. This article is protected by copyright. All rights reserved.

19.
Materials (Basel) ; 15(7)2022 Apr 06.
Artigo em Inglês | MEDLINE | ID: mdl-35408035

RESUMO

The composite-material laminate structure will inevitably encounter connection problems in use. Among them, mechanical connections are widely used in aerospace, automotive and other fields because of their high connection efficiency and reliable connection performance. Milling parameters are important for the opening quality. In this paper, continuous-glass-fiber-reinforced-polypropylene (GFRPP) laminates were chosen to investigate the effects of different cutters and process parameters on the hole quality. The delamination factor and burr area were taken as the index to characterize the opening quality. After determining the optimal milling tool, the process window was obtained according to the appearance of the milling hole. In the selected process parameter, the maximum temperature did not reach the PP melting temperature. The best hole quality was achieved when the spindle speed was 18,000 r/min and the feed speed was 1500 mm/min with the corn milling cutter.

20.
J Phys Chem Lett ; 13(14): 3224-3229, 2022 Apr 14.
Artigo em Inglês | MEDLINE | ID: mdl-35377653

RESUMO

Two-dimensional spontaneous reactions between an electrode and an electrolyte are very important for the formation of a solid electrolyte interphase (SEI) but difficult to study because studying such reactions requires surface/interface sensitive techniques with sufficiently structural and temporal resolutions. In this study, we have applied femtosecond broadband sum-frequency generation vibrational spectroscopy (SFG-VS) to investigate the interaction between a silicon electrode and a LiPF6-based diethyl carbonate electrolyte solution in situ and in real time. We found that two kinds of diethyl carbonate species are present on the silicon surface and their C═O stretching aligns in opposite directions. Intrinsically spontaneous chemical reactions between silicon electrodes and a LiPF6 electrolyte solution are observed. The reactions generate silicon hydride and cause corrosion of the silicon electrodes. Coating of the silicon surface with a poly(vinyl alcohol) layer can effectively retard and attenuate these reactions. This work demonstrates that SFG-VS can provide a unique and powerful state-of-the-art tool for elucidating the molecular mechanisms of SEI formation.

SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA
...