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Lithium bis(trifluoromethanesulfonyl)imide blended in polyurethane acrylate photocurable solid polymer electrolytes for lithium-ion batteries

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j.urnal of Energy chemistry 2021年第11期30卷 485-496,I0011页

作者： cristian Mendes-Felipe j.c.Barbosa R.Gonsalves D.Miranda c.M.costa j.L.Vilas-Vilela S.Lanceros-Mendez BcMaterials Basque Center for MaterialsApplications and NanostructuresUPV/EHU Science Park48940 LeioaSpain macromolecular chemistry Group(LABQUImac) Department of Physical ChemistryFaculty of Science and TechnologyUniversity of the Basque Country(UPV/EHU)Barrio Sarriena s/nE-48940 LeioaSpain center of Physics University of MinhoCampus of Gualtar4710-057 BragaPortugal center of chemistry University of MinhoCampus of Gualtar4710-057 BragaPortugal Ai–School of Technology IPCABarcelosPortugal Ikerbasque Basque Foundation for Science48009 BilbaoSpain

The increased demand of electronic devices promotes the development of advanced and more efficient energy storage devices, such as batteries. Lithium-ion batteries (LIBs) are the most studied battery systems due to their high performance. Among the different battery components, the separator allows the control of lithium ion diffusion between the electrodes. To overcome some drawbacks of liquid electrolytes, including safety and environmental issues, solid polymer electrolytes (SPEs) are being developed. In this work, a UV photocurable polyurethane acrylate (PUA) resin has been blended with lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) up to 30 wt% LiTFSI content to reach a maximum ionic conductivity of 0.0032 mS/cm at room temperature and 0.09 mS/cm at 100 ℃. Those values allowed applying the developed materials as photocurable SPE in Swagelok type Li/c-LiFePO_(4) half-cells, reaching a battery discharge capacity value of 139 mAh.g^(−1) at c/30 rate. Those results, together with the theoretical studies of the discharge capacity at different c-rates and temperatures for batteries with LiTFSI/PUA SPE demonstrate the suitability of the developed photocurable SPE for LIB applications.

关键词： Solid polymer electrolytes Photocuring Polyurethane acrylate LiTFSI Li-ion batteries

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Evaluation of Quantum chemical Methods and Basis Sets Applied in the Molecular Modeling of Artemisinin

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computational Molecular Bioscience 2013年第3期3卷 66-79页

作者： cleydson B. R. dos Santos cleison c. Lobato j.sinete B. Vieira Davi S. B. Brasil Alaan U. Brito Williams j. c. macêdo j.sé carlos T. carvalho j.sé c. Pinheiro Laboratory of Modelling and computational chemistry Federal University of Amapá Macapá Brazil Laboratory of Theoretical and computational chemistry Institute of Exact and Natural Sciences Federal University of Pará Belém Brazil Postgraduate Program in Biotechnology and Biodiversity-Network BIONORTE Campus Universitário Marcos Zero Macapá Brazil

In this paper, we evaluate semiempirical methods (AM1, PM3, and ZINDO), HF and DFT (B3LYP) in different basis sets to determine which method best describes the sign and magnitude of the geometrical parameters of artemisinin in the region of the endoperoxide ring compared to crystallographic data. We also classify these methods using statistical analysis. The results of PcA were based on three main components, explaining 98.0539% of the total variance, for the geometrical parameters c3O13, O1O2c3, O13c12c12a, and O2c3O13c12. The DFT method (B3LYP) corresponded well with the experimental data in the hierarchical cluster analysis (HcA). The experimental and theoretical angles were analyzed by simple linear regression, and statistical parameters (correlation coefficients, significance, and predictability) were evaluated to determine the accuracy of the calculations. The statistical analysis exhibited a good correlation and high predictive power for the DFT (B3LYP) method in the 6-31G** basis set.

关键词： Artemisinin Molecular Modeling Quantum chemical Methods Statistical Analysis B3LYP/6-31G**

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‘c-type’ closed state and gating mechanisms of K2P channels revealed by conformational changes of the TREK-1 channel

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j.urnal of Molecular cell Biology 2022年第1期14卷 47-55页

作者： Qiansen Zhang j.e Fu shaoying Zhang Peipei Guo shĳie Liu j.wen shen j.angtao Guo Huaiyu Yang shanghai Key Laboratory of Regulatory Biology Institute of Biomedical SciencesSchool of Life SciencesEast China Normal UniversityShanghai 200241China Department of Biophysics and Department of Pathology of Sir Run Run shaw Hospital Zhejiang University School of MedicineHangzhou 310058China

Two-pore domain potassium (K2P) channels gate primarily within the selectivity filter, termed ‘c-type’ gating. Due to the lack of structural insights into the nonconductive (closed) state, ‘c-type’ gating mechanisms remain elusive. Here, molecular dynamics (MD) simulations on TREK-1, a K2P channel, revealed that M4 helix movements induce filter closing in a novel ‘deeper-down’ structure that represents a ‘c-type’ closed state. The ‘down’ structure does not represent the closed state as previously proposed and instead acts as an intermediate state in gating. The study identified the allosteric ‘seesaw’ mechanism of M4 helix movements in modulating filter closing. Finally, guided by this recognition of K2P gating mechanisms, MD simulations revealed that gain-of-function mutations and small-molecule activators activate TREK-1 by perturbing state transitions from open to closed states. Together, we reveal a ‘c-type’ closed state and provide mechanical insights into gating procedures and allosteric regulations for K2P channels.

关键词： K2P state selectivity filter c-type gating

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Probable benign paroxysmal positional vertigo, spontaneously resolved:Incidence in medical practice, patients’ characteristics and the natural course

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j.urnal of Otology 2019年第3期14卷 111-116页

作者： M.G.Alvarez-Moruj. de Sande R. Gonzalez-Aguado G. Guerra-j.menez E. Domenech-Vadillo H. Galera-Ruiz E. Figuerola-Massana A. Ramos-macías c. Morales-Angulo A.j. Martín-Mateos E. Domínguez-Duran Hospital Universitario Puerta del Mar Cadiz Spain Hospital Universitario Marques de Valdecilla Santander Spain complej. Hospitalario Universitario Insular Materno-Infantil Las Palmas de Gran Canaria Spain Hospital Universitari j.an XXIII Tarragona Spain Hospital Infanta Luisa Sevilla Spain

Background: Probable benign paroxysmal positional vertigo, spontaneously resolved (pBPPVsr), is a variant of benign paroxysmal positional vertigo (BPPV) in which there is no observable nystagmus and no vertigo with any positional maneuver. Obj.ctives: To calculate the incidence pBPPVsr, compare the characteristics of the patients with pBPPVsr and BPPV not spontaneously resolved and describe the spontaneous resolution in the natural course of BPPV. Methods: Multicenter prospective descriptive study. During a one-year period, all patients with suspected BPPV that presented to the Neurotology Units of five participating centers were recruited. The incidence of pBPPVsr was calculated as a percentage of the total number of patients with BPPV. The prevalence of several variables was compared between pBPPVsr and BPPV not spontaneously resolved. The timing of spontaneous resolution was estimated using Kaplan-Meier curves. Results: 457 patients met the inclusion criteria. The incidence of pBPPVsr was 33.5%. It was significantly higher in males, in patients with normal bone mass and in patients who were not taking sulpiride. A rate of 18% of spontaneous resolution after the first month and 51% after the first year was found. This percentage did not change in a significant way after this moment. The curves for males, patients under 50 and patients with normal blood pressure decreased significantly faster. conclusions: In our serie, BPPV spontaneously resolved in half of the patients with BPPV during the first year. This seemed to occur more commonly in males and could have been hindered by sulpiride intake, osteoporosis, advanced age and high blood pressure.

关键词： Benign paroxysmal positional vertigo Probable benign paroxysmal positional vertigo, spontaneously resolved Osteoporosis Sulpiride Hypertension

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Tropical forest canopies and their relationships with climate and disturbance： results from a global dataset of consistent field-based measurements

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Forest Ecosystems 2018年第1期5卷 77-90页

作者： marion pfeifer alemu gonsamo william woodgate luis cayuela andrew r.marshall alicia ledo timothy c.e.paine rob marchant andrew burt kim calders colin courtney-mustaphi aida cuni-sanchez nicolas j.deere derej. denu j.se gonzalez de tanago robin hayward alvaro lau manuel j.macía pieter i.olivier petri pellikka hamidu seki deo shirima rebecca trevithick beatrice wedeux charlotte wheeler pantaleo k.t.munishi thomas martin abdul mustari philip j.platts school of natural and environmental sciences newcastle universityUpon TyneNewcastle NE1 7RUUK department of geography and planning university of torontoONCanada land and water commonwealth scientific and industrial research organisationYarralumlaACTAustralia school of mathematical and geospatial sciences rmit universityGPO Box 2476VMelbourneVIC 3001Australia department of biology geologyphysics and inorganic chemistryuniversidad rey juan carlosE-28933 MostolesMadridSpain tropical forest and peopleresearch centre university of the sunshine coastsippy DownsAustralia environment department university of yorkYorkUK flamingo land ltd. MaltonUK the institute of biological and environmental sciences environmental modelling groupuniversity of aberdeenAberdeenUK biological and environmental sciences university of stirlingStirling FK9 4L AUK york institute for tropical ecosystems environment departmentuniversity of yorkYork YO10 5NGUK department of geography university college londonGower StreetLondon WC1E 6BTUK earth observation climate and optical groupnational physical laboratoryHampton RoadTeddingtonMiddlesex TW11 0LWUK department of archaeology and ancient history uppsala universitetP.O.Box 256-751 05 UppsalaSESweden center for macroecology evolution and climateuniversity of copenhagenUniversitetsparken 152100 CopenhagenDKDenmark durrell institute of conservation and ecology(dice) school of anthropology and conservationuniversity of kentCanterbury CT2 7NRUK department of biology college of natural sciencesjimma universityJimmaEthiopia wageningen university&research laboratory of geo-information science and remote sensingDroevendaalsesteeg 36708 PB Wageningenthe Netherlands center for international forestry research(cifor) Situ GedeSindang BarangBogor 16680Indonesia departamento de biología área de botánicauniversidad autónoma de madridcalle Darwin 2-28049 MadridESSpain conservation ecology research unit university of pretoriaHatfieldPretoriaSouth Af

Background： canopy structure, defined by leaf area index （LAI）, fractional vegetation cover （Fcover） and fraction of absorbed photosynthetically active radiation （fAPAR）, regulates a wide range of forest functions and ecosystem services. Spatially consistent field-measurements of canopy structure are however lacking, particularly for the tropics. Methods： Here, we introduce the Global LAI database： a global dataset of field-based canopy structure measurements spanning tropical forests in four continents （Africa, Asia, Australia and the Americas）. We use these measurements to test for climate dependencies within and across continents, and to test for the potential of anthropogenic disturbance and forest protection to modulate those dependences. Results： Using data collected from 887 tropical forest plots, we show that maximum water deficit, defined across the most arid months of the year, is an important predictor of canopy structure, with all three canopy attributes declining significantly with increasing water deficit. canopy attributes also increase with minimum temperature, and with the protection of forests according to both active （within protected areas） and passive measures （through topography）. Once protection and continent effects are accounted for, other anthropogenic measures （e.g. human population） do not improve the model. conclusions： We conclude that canopy structure in the tropics is primarily a consequence of forest adaptation to the maximum water deficits historically experienced within a given region. climate change, and in particular changes in drought regimes may thus affect forest structure and function, but forest protection may offer some resilience against this effect.

关键词： Leaf area index Fractional vegetation cover Fraction of absorbed photosynthetically active radiation,Human population pressure Protected areas Drought climate change

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The (⊿+2,2)-incidence coloring of outerplanar graphs

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Progress in Natural Science:Materials International 2008年第5期18卷 575-578页

作者： shudong Wanga,b,c, j.n Xu a,b, Fangfang mac, chunxiang Xua,b a Institute of Software, School of Electronic Engineering and computer Science, Peking University, Beij.ng 100871, china b Key Laboratory of High con dence Software Technologies, Ministry of Education, Beij.ng 100871, china c college of Information Science and Engineering, shandong University of Science and Technology, Qingdao 266510, china Institute of Software School of Electronic Engineering and Computer Science Peking University Beijing 100871 China Key Laboratory of High confidence Software Technologies Ministry of Education Beijing 100871 China college of Information Science and Engineering Shandong University of Science and Technology Qingdao 266510 China

An incidence coloring of graph G is a coloring of its incidences in which neighborly incidences are assigned di erent colors. In this paper, the incidence coloring of outerplanar graphs is discussed using the techniques of exchanging colors and the double inductions from the aspect of con guration property. Results show that there exists a (D + 2,2)-incidence coloring in every outerplanar graph, where D is the maximum degree of outerplanar graph.

关键词： Incidence coloring Incidence chromatic number Outerplanar graph

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Possible therapeutic targets and promising drugs based on unsymmetrical hetaryl-substituted porphyrins to combat SARS-coV-2

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j.urnal of Pharmaceutical Analysis 2021年第6期11卷 691-698页

作者： Yury A.Gubarev Natalya sh.Lebedeva Elena S.Yurina Sergey A.Syrbu Aleksey N.Kiselev Mikhail A.Lebedev G.A.Krestov Institute of Solution chemistry of the Russian Academy of Sciences 153045IvanovoRussia Ivanovo State University of chemistry and Technology 153000IvanovoRussia

coronavirus disease 2019 is a serious disease that causes acute respiratory syndrome and negatively affects the central nervous *** acute respiratory syndrome coronavirus 2(SARS-coV-2)crosses the blood-brain barrier due to the spike(S) protein on the surface of the viral ***,it is important to develop compounds that not only have an inhibitory effect but are also capable of completely deactivating the S protein *** study describes the purposeful modification of porphyrins and proposes compounds,asymmetrically hetaryl-substituted porphyrins with benzothiazole,benzoxazole,and N-methylbenzimidazole residues,to deactivate the S protein *** docking of SARS-coV-2 proteins with hetaryl-substituted porphyrins showed that the viral S protein,nucleocapsid(N) protein,and non-structural protein 13(nsp13) exhibited the highest binding ***-substituted porphyrins form strong complexes(13-14 kcal/mol) with the receptor-binding domain of the S protein,while the distance from the porphyrins to the receptor-binding motif(RBM)does not exceed 20 ?;therefore,RBM can be oxidized by ^(1)O_(2),which is generated by *** porphyrins interact with the N protein in the serine/arginine-rich region,and a number of vulnerable amino acid residues are located in the photooxidation *** damage complicates the packaging of viral RNA into new ***-energy binding of hetaryl-substituted porphyrins with the N-and c-terminal domains of nsp13 was *** binding blocks the action of nsp13 as an enzyme of exoribonuclease and methyltransferase,thereby preventing RNA replication and processing.A procedure for the synthesis of hetaryl-substituted porphyrins was developed,new compounds were obtained,their structures were identified,and their photocatalytic properties were studied.

关键词： Porphyrins SARS-coV-2 Molecular docking Photoinactivation

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计算机在汽车工程中的应用——1980年10月访华时在北京学术报告纪录稿

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汽车工程 1981年第1期 9-12页

作者： H.c.mac Donald

今天我想同各位谈谈计算机在汽车工程中的应用。我有信心不夸张地说,计算机是从轮子发明以来对交通运输业的最大贡献。轮子给人类带来了机动性,由动力能源驱动轮子以后使人们得到快速、可靠、安全和经济的运输工具,从而提高了人们的生... 详细信息

今天我想同各位谈谈计算机在汽车工程中的应用。我有信心不夸张地说,计算机是从轮子发明以来对交通运输业的最大贡献。轮子给人类带来了机动性,由动力能源驱动轮子以后使人们得到快速、可靠、安全和经济的运输工具,从而提高了人们的生活标准,我们享受这种机动性——我们要保持这种机动性,而计算机是

关键词：计算机交通运输业模具设计运输业机助设计汽车工程客车轿车车身表面福特汽车公司燃油经济性设计师零部件北京学术报告

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A novel supplement with yeast b-glucan, prebiotic, minerals and Silybum marianum synergistically modulates metabolic and inflammatory pathways and improves steatosis in obese mice

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j.urnal of Integrative Medicine 2021年第5期19卷 439-450页

作者： Victor Abou Nehmi Gilson Masahiro Murata Ruan carlos macêdo de Moraes Gabriely cristina AlvesLima Danielle Arauj. De Miranda Katrin Radloff Raquel Galvao Figuerêdo costa j.yce de cassia Rosade j.sus j.ssica Alves De Freitas Nayara Izabel Viana Ruan Pimenta Katia Ramos Moreira Leite j.séPinhata Otoch Ana Flávia Marcal Pessoa Laboratory of Medical Investigation(LIM-26) Department of SurgeryUniversity of Sao Paulo Medical SchoolSao PauloSP 01246903Brazil Laboratory of Medical Investigation(LIM-29) Clinic Medical DepartmentUniversity of Sao Paulo Medical SchoolSao PauloSP 01246903Brazil Department of Physiology Escola Paulista de Medicina/Universidade Federal de Sao PauloSP 04023062Brazil Max Rubner-Institut Federal Research Institute of Nutrition and FoodKarlsruheBW 76131Germany cancer and Inflammation Program Center for Cancer ResearchNational Cancer InstituteNational Institutes of HealthBethesdaMD 20892United States Laboratory of Medical Investigation(LIM-55) Urology DepartmentUniversity of Sao Paulo Medical SchoolSao PauloSP 01246903Brazil D'Or Institute for Research and Education RJ 22281-100Brazil Program in Anesthesiology Surgical Sciencesand Perioperative MedicineUniversity of Sao PauloSao PauloSP 01246903Brazil Brazilian Academic consortium for Integrative Health(cABSIN) Natural Products CommitteeSao PauloSP 05449-070Brazil

Obj.ctive: To evaluate the synergic effects of a novel oral supplement formulation, containing prebiotics,yeast b-glucans, minerals and silymarin(Silybum marianum), on lipid and glycidic metabolism, inflammatory and mitochondrial proteins of the liver, in control and high-fat diet-induced obese ***: After an acclimation period, 32 male c57 BL/6 mice were divided into the following groups:nonfat diet(NFD) vehicle, NFD supplemented, high-fat diet(HFD) vehicle and HFD supplemented. The vehicle and experimental formulation were administered orally by gavage once a day during the last four weeks of the diet(28 consecutive days). We then evaluated energy homeostasis, inflammation, and mitochondrial protein expression in these groups of ***: After four weeks of supplementation, study groups experienced reduced glycemia, dyslipidemia,fat, and hepatic fibrosis levels. Additionally, proliferator-activated receptor-α, AMP-activated protein kinase-1α, peroxisome proliferator-activated receptor γ co-activator-1α, and mitochondrial transcription factor A expression levels were augmented;however, levels of inhibitor of nuclear factor-κB kinase subunit a and p65 nuclear factor-κB expression, and oxidative markers were reduced. Notably, the cortisol/c-reactive protein ratio, a well-characterized marker of the hypothalamic–pituitary–adrenal axis immune interface status, was found to be modulated by the ***: We discovered that the novel supplement was able to modify different antioxidant, metabolic and inflammatory pathways, improving the energy homeostasis and inflammatory status, and consequently alleviated hepatic steatosis.

关键词： Supplement Silymarin Prebiotic Obese Mice Steatosis Inflammation Mitochondrial biogenesis

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Effect of Aerobic Exercise on Protein Expression in Muscle of Obese Mexican Adolescents: A Proteomic and Bioinformatic Analysis

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Natural Science 2014年第9期6卷 641-650页

作者： maciste H. macías-cervantes j.an M. Guzmán-Flores Katya Vargas-Ortiz Francisco j. Díaz-cisneros j.el Ramírez-Emiliano Victoriano Pérez-Vázquez Departmento de ciencias Aplicadas al Trabaj. División de Ciencias de la Salud Universidad de Guanajuato León México Departmento de ciencias Médicas División de Ciencias de la Salud Universidad de Guanajuato León México

The beneficial effects of exercise have been recognized for many years yet the molecular mechanisms by which exercise show benefits on health are still elusive. A combination of experimental and bioinformatics approaches can be an invaluable tool to increase the cellular understanding of the molecular mechanisms that underlie the aerobic exercise in obese adolescents. Muscle skeletal proteins were separated by 2D-PAGE and changes in protein expression were revealed by ImageMaster 2D Platinum analysis software. Proteins with expression changes after aerobic exercise were identified by comparison with 2D maps from SWISS-2DPAGE and interactions of proteins were analyzed with STRING and DAVID databases. After aerobic exercise, all participants decreased glucose, insulin, total cholesterol, body mass index and waist circumference. Proteomic differential analysis revealed 10 overexpressed proteins after aerobic training, which correspond to carbonic anhydrase III, beta enolase, creatine kinase, ATP synthase beta subunit, aldolase A, glyceraldehyde-3-phosphate dehydrogenase, triosephosphate isomerase, pyruvate kinase, lactate dehydrogenase and adenylate kinase. Exercise increased glycolysis and oxidative phosphorylation pathways, which is likely to be regulated by ubiquitin c protein. In conclusion, our analysis suggested that obese adolescents show changes in their body mass index, waist circumference and serum glucose after aerobic exercise through improved protein expression patterns that aid, especially, glucose metabolism and increase the oxidative phosphorylation. The most likely explanation for the observed pattern is that ubiquitin c protein keeps the glycolytic enzymes bound within skeletal muscle, obtaining a non-degradative role in cell signaling.

关键词： Glycolysis Oxidative Phosphorylation Ubiquitin c Protein Proteomics Exercise

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