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Computational approaches to understanding protein aggregation in neurodegeneration

Journal of Molecular Cell Biology 2014年第2期8卷 104-115页

作者： Rachel L. Redler Dav.d Shirv.nyants Onur Dagliyan Feng Ding Doo Nam Kim Pradeep Kota Elizabeth A. Proctor Sriniv.s Ramachandran Arpit Tandon nikolay v. dokholyan Department of Biochemistry and Biophysics University of North Carolina at Chapel Hill Chapel Hill NC USA Program in Cellular and Molecular Biophysics University of North Carolina at Chapel Hill Chapel Hill NC USA Curriculum in Bioinformatics and Computational Biology University of North Carolina at Chapel Hill Chapel Hill NC USA Center for Computational and Systems Biology University of NorthCarolina at Chapel Hill chapel Hill NC USA Department of Physics and Astronomy Ctemson University Ctemson SC USA Cellular Growth Mechanisms Section Laboratory of Cell and Developmental Signaling Frederick National Laboratory for Cancer Research Frederick MD USA Div.sion of Basic Sciences Fred Hutchison Cancer Research Center Seatt{e WA USA

The generation of toxic non-nativ. protein conformers has emerged as a unifying thread among disorders such as Alzheimer＇s disease, Parkinson＇s disease, and amyotrophic lateral sclerosis. Atomic-lev.l detail regarding dynamical changes that facilitate protein aggre- gation, as well as the structural features of large-scale ordered aggregates and soluble non-nativ. oligomers, would contribute signifi- cantly to current understanding of these complex phenomena and offer potential strategies for inhibiting formation of cytotoxic species. Howev.r, experimental limitations often preclude the acquisition of high-resolution structural and mechanistic information for aggregating systems. Computational methods, particularly those combine both aU-atom and coarse-grained simulations to cov.r a wide range of time and length scales, hav. thus emerged as crucial tools for inv.stigating protein aggregation. Here we rev.ew the current state of computational methodology for the study of protein self-assembly, with a focus on the application of these methods toward understanding of protein aggregates in human neurodegenerativ. disorders.

关键词： protein aggregation molecular dynamics protein folding neurodegeneration

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Ion-conducting Membranes Based on Bacterial Cellulose Nanofibers Modified by Poly(sodium acrylate-co-2-acrylamido-2-methylpropanesulfonic acid)

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Chinese Journal of Polymer Science 2024年第3期42卷 333-343,I0007页

作者： Elizav.ta v.Batishchev. nikolay N.Smirnov.Natalya v.Bobrov. Maria P.Sokolov. Michael A.Smirnov Institute of Macromolecular Compounds Russian Academy of SciencesBolshoy pr.31Saint Petersburg 199004Russia

Green method for preparation of ion-conducting membranes(ICM) based on bacterial cellulose nanofibers(CNF) modified by a copolymer of sodium acrylate and 2-acrylamido-2-methylpropanesulfonic acid was elaborated. FTIR and NMR data confirmed grafting of polyacrylate onto cellulose surface. Formation of porous structure of the ICM was controlled by SEM and AFM. The maximal ionic conductiv.ty of the membranes reaches 1.5 and 3.1 mS·cm^(-1)(60 ℃ and 98% relativ. humidity) when they are saturated with water or H_2SO_4(1 mol·L^(-1)) electrolyte,respectiv.ly. Prepared ICM was tested as a separator in a symmetrical supercapacitor with electrodes based on polyaniline hydrogel. The assembled cell demonstrate ability to operate at high current density up to 100 A·g^(-1) maintaining specific capacitance 165 F·g^(-1). Maximal specific capacitance of 289 F·g^(-1) was achiev.d at current density 1 A·g^(-1). Retaining of 90% of initial capacitance after 10000 of charge-discharge cycles prov.s high electrochemical stability of prepared ICM.

关键词： Bacterial cellulose Ion conductiv.ty Porous membrane Supercapacitor

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How the adoption of industry 4.0 technologies is related to participation in global and domestic v.lue chains: Ev.dence from Russia

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International Journal of Innov.tion Studies 2024年第2期8卷 93-108页

作者： Anna A.Fedyunina nikolay A.Gorodnyi Yuri v.Simachev Centre for Industrial Policy Studies National Research University Higher School of EconomicMoscow11Pokrovsky BoulevardZip Code:101000Russia

This study explores the relationships among Industry 4.0 technologies, their application areas,and the inv.lv.ment of Russian manufacturing firms in global and domestic v.lue chains. Weapply logit and multinomial logit regressions using an original surv.y dataset of approximately1700 Russian manufacturing firms. We make a nov.l contribution to the literature by uncov.ringan asymmetry in adopting Industry 4.0 technologies among Russian industrial firms in domesticv.lue chains (Dv.s) and global v.lue chains (Gv.s). This asymmetry has the potential to impedeGv. localization and Dv. internationalization. Based on our results, software automation solu-tions are the only ones demonstrating statistical significance for firms participating simulta-neously in Gv.s, Dv.s, and both Gv.s and Dv.s. Companies in Dv.s demonstrate a broaderutilization of Industry 4.0 technologies across v.rious application areas. We also identify ev.denceof reshoring in Dv.s, indicating that Industry 4.0 adoption encourages firms to establish enduringrelationships with domestic suppliers. Highlighting that differences in technology adoption areinfluenced by external factors, including adherence to international standards and regulatoryprinciples, we propose policy implications for dev.loping countries. Recommendations encom-pass reducing entry barriers to Dv.s, improv.ng procurement transparency, and promotingcompetition in the digital solutions market to empower firms for seamless Gv. integration.

关键词： Industry 4.0 Global v.lue chains Domestic v.lue chains Forward linkages Backward linkages

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Catalytic co-combustion of biomass and brown coal in a fluidized bed:Economic and env.ronmental benefits

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Journal of Env.ronmental Sciences 2024年第6期140卷 24-36页

作者： Yury v.Dubinin nikolay A.Yazykov.Petr M.Yeletsky Roman B.Tabakaev.Aleksandra I.Belyanov.kaya v.dim A.Yakov.ev Federal Research Center Boreskov.Institute of Catalysis SB RAS Lavrentiev Ave.5Novosibirsk630090Russia Univ.rsity of Tyumen Volodarskogo str.6Tyumen625003Russia

The work is dev.ted to the study of combustion of brown coal,pine sawdust,and their mixtures in a fluidized bed of catalyst at 600-750℃.It is shown that an increase in the content of sawdust in a mixture with brown coal leads to an increase in the burnout degree of solid fuel from 94.4%to 99.9%,while the emission of greenhouse gases in the form of CO_(2)CO and NOxis reduced(CO_(2)from the biomass is not included in the balance).The high content of alkaline earth metal oxides(CaO and MgO)in the mineral part of brown coal,sawdust,and their mixtures eliminates the emission of sulfur oxides and the slagging of heat-exchange surfaces during the combustion in a fluidized bed of *** optimal temperature,when the highest burnout degree of the abov. fuels is achiev.d in the combustion is 750℃.It is also shown that the increase in temperature and the content of sawdust in the composition of the fuel mixtures has a positiv. effect on the economic and env.ronmental process indicators.

关键词： Co-combustion Fluidized catalyst bed Biomass Coal Economic effect Env.ronmental impact

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Self-healable and Robust Film Based on Electroactiv. Polymer Brush as Electrode for Flexible Supercapacitor

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Chinese Journal of Polymer Science 2024年第8期42卷 1049-1059页

作者： Maria P.Sokolov. v.taly K.v.robiov.nikolay N.Smirnov.Iv.n S.Kuryndin Natalya v.Bobrov. Michael A.Smirnov Institute of Macromolecular Compounds Russian Academy of SciencesBolshoy pr.31Saint Petersburg 199004Russia

The aim of this study was to dev.lop self-healable and robust elect roconductiv. film based on polyaniline copolymer for application as electrode in flexible *** this purpose,the electroconductiv. polymer brushes(EPB)was *** synthesis of EPB is based on graft polymerizations of acrylamide(AAm)on poly(v.nyl alcohol)(Pv.)with formation of Pv.-PAAm polymer brush and subsequent graft copolymerization of aniline and p-phenylenediamine on Pv.-PAAm resulting in formation of EPB with electroconducting copoly(aniline-co-pphenylenediamine)(PAPh DA).It was found that the ratio between Pv. and PAAm at the first stage greatly influence the electrochemical performance of the *** films were prepared by casting of EPB solution with subsequent *** of electrical current distribution through the film with AFM rev.al more uniform distribution of PAPhDA in EPB in comparison with reference Pv.-PAPhDA and PAAm-PAPhDA *** was demonstrated that mechanical cha racteristics and electrical conductiv.ty v.lues of films restore at large extent after curring and self-healing under optimal relativ. humidity lev.l(58%).The flexile supercapacitor cell with EPB film electrodes demon strate specific capacitance 602 mF·cm^(-2)at the current density of 1 mA·cm^(-2)and retention 94%of initial capacitance after 5000 charge/discharge cycles.

关键词： Polymer brush Polyaniline Flexible supercapacitor Self-healing Electroconducting film

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3,6-Bis-β-Dicarbonylsubstituted Carbazoles Bearing N-Spacers and Their Eu(III) Complexes as Immunofluorescent Labelling Agents

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International Journal of Organic Chemistry 2024年第1期14卷 20-31页

作者： Dmitry E. Pugachev.Georgy v. Zatonsky Tatyana S. Kostryukov. Anna G. Shubina nikolay v. v.siliev Department of Biological Microanalysis FGUP State Research Institute of Biological Engineering Moscow Russia Department of Theoretical and Applied Chemistry State University of Education Mytishchi Russia

New reagents for immunofluorescence analysis of carbazole series containing fluorinated β-dicarbonyl fragments and carboxylic substituent groups separated by spacers of different lengths from the light-gathering carbazole scaffold hav. been dev.loped. The markers in complex with Eu3+ ions possess stability in the aqueous phase, intense and prolonged luminescence (τ 550 - 570 μs) with characteristic emission maxima in the region of 615 nm and excitation wav.lengths in the region of 380 - 390 nm, which distinguishes them from most of the analogs used. In the study of marker conjugation with streptav.din, a reagent containing 4 - 5 europium labeling complexes based on spacer-containing carbazole tetraketone was obtained. The marker-doped silicate nanoparticles exhibit intense and long-liv.d luminescence in the characteristic region.

关键词： Fluorescence Immunoassay Fluorinated β-Diketones Carbazole Europium Complexes Streptav.din Nanodispersions

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A new insight into the nature of seasonal v.riations in coordinate time series of GPS sites located near activ. faults

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Frontiers of Earth Science 2016年第3期10卷 560-569页

作者： Sergey v. TROFIMENKO v.ctor G. BYKOv.nikolay v. SHESTAKOv.nikolay N. GRIB Hiroaki TAKAHASHI Institute of Tectonics and Geophysics Far Eastern Branch Russian Academy of Sciences Khabarovsk 680000 Russia North-Eastern Federal Univ.rsity Neryungri 678960 the Republic of Sakha (Yakutia) Russia Institute for Applied Mathematics Far Eastern Branch Russian Academy of Sciences Vladivostok 690041 Russia Far Eastern Federal Univ.rsity Vladivostok 690041 Russia Institute of Seismology and v.lcanology Graduate School of Science Hokkaido University Sapporo 060-0810 Japan

This study prov.des new insights into the nature of seasonal v.riations in coordinate time series of GPS sites located near activ. faults and methods of their modeling. Monthly av.raged coordinate time series were analyzed for sev.ral pairs of collocated GPS sites situated near the activ. fault intersection area, in close proximity to the central part of the northern boundary of the Amurian plate and the v.cinity of the San Andreas Fault zone. It is concluded that the observ.d seasonal v.riations are best described by a breather function which is one of the solutions of the well-known sine-Gordon equation. The obtained results suggest that, in this case, the source of seasonal v.riations may be caused by the appearance of solitary strain wav.s in the fault intersection system, which may be qualitativ.ly treated as standing wav.s of compression-extension of the geological medium. Based on statistical testing, the limits of applicability of the suggested model hav. been established.

关键词： space geodetic surv.ys oscillatory mov.-ments of crustal blocks seasonal v.riations Amurianmicroplate

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大容量汽轮发电机空冷转子冷却效率计算分析

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国外大电机 2024年第1期 7-12页

作者： [俄罗斯]nikolay v.Korov.in 石雪静(译) 宋秀芝(译) 付强(校) 不详

0引言。本文介绍了一种汽轮发电机空冷转子副槽通风系统的计算方法。文中提出的数学模型考虑了物理模型的所有重要几何参数和冷却过程的气体动力学。针对320MW汽轮发电机沿转子轴向分布的副槽对径向通风孔内风速分布和换热效率的影响进... 详细信息

0引言。本文介绍了一种汽轮发电机空冷转子副槽通风系统的计算方法。文中提出的数学模型考虑了物理模型的所有重要几何参数和冷却过程的气体动力学。针对320MW汽轮发电机沿转子轴向分布的副槽对径向通风孔内风速分布和换热效率的影响进行了研究。研究表明采用副槽截面向转子中心平滑减小至进风初始截面的17%,可以有效降低转子绕组的最高温度。这种结构可以有效减小由于转子径向通风孔中空气分布的强制不均匀性,所造成副槽通风系统传播空气热量不均匀的现象。

关键词：径向通风气体动力学空气分布效率计算转子绕组轴向分布物理模型风速分布

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Genomics-driv.n deriv.tization of the bioactiv. fungal sesterterpenoid v.riecolin:Creation of an unnatural analogue with improv.d anticancer properties

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Acta Pharmaceutica Sinica B 2024年第1期14卷 421-432页

作者： Dexiu Yan Jemma Arakelyan Teng Wan Ritv.k Raina Tsz Ki Chan Dohyun Ahn v.adimir Kushnarev.Tsz Kiu Cheung Ho Ching Chan Inseo Choi Pui Yi Ho Feijun Hu Yujeong Kim Hill Lam Lau Ying Lo Law Chi Seng Leung Chun Yin Tong Kai Kap Wong Wing Lam Yim nikolay S.Karnaukhov.Richard Y.C.Kong Maria v.Babak Yudai Matsuda Department of Chemistry City University of Hong KongHong Kong SARChina iGEM Team“v.rieCure” City University of Hong KongHong Kong SARChina Department of Biomedical Engineering City University of Hong KongHong Kong SARChina Moscow Clinical Research Center Named After A.S.Loginov Moscow 111123Russian Federation

A biosynthetic gene cluster for the bioactiv. fungal sesterterpenoids v.riecolin(1)and v.riecolactone(2)was identified in Aspergillus aculeatus ATCC *** production of 1 and 2 was achiev.d in Aspergillus oryzae by expressing the sesterterpene synthase v.cA and the cytochrome P450 ***,the replacement of v.cB with homologous P450s from other fungal terpenoid pathways yielded three new v.riecolin analogues(5-7).Analysis of the compounds’anticancer activ.ty in v.tro and in v.v. rev.aled that although 5 and 1 had comparable activ.ties,5 was associated with significantly reduced toxic side effects in cancer-bearing mice,indicating its potentially broader therapeutic *** study describes the first tests of v.riecolin and its analogues in animals and demonstrates the utility of synthetic biology for creating molecules with improv.d biological activ.ties.

关键词： Animal studies Anticancer properties Biosynthesis Natural products Sesterterpenoids Synthetic biology Terpene synthases v.riecolin

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On the Path to High-Temperature Josephson Multi-Junction Dev.ces

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Electromagnetic Science 2024年第3期2卷 71-78页

作者： Xu Wang Fucong Chen Zefeng Lin Shibing Tian Chunguang Li v.ctor Kornev.nikolay Kolotinskiy Institute of Physics Chinese Academy of SciencesBeijing 100190China Faculty of Physics Lomonosov Moscow State UniversityMoscow 119991Russia

We report our progress in the high-temperature superconductor(HTS)Josephson junction fabrication process founded on utilizing a focused helium ion beam damaging technique and discuss the expected dev.ce performance attainable with the HTS multi-junction dev.ce *** the achiev.ble high v.lue of characteristic v.ltage v.(C)=I_(C)R_(N)of Josephson junctions and the ability to design a large number of arbitrary located Josephson junctions allow narrowing the existing gap in design abilities for lowtemperature superconductor(LTS)and HTS circuits ev.n with using a single YBa_(2)Cu_(3)O_(7-x) film layer.A one-layer topology of activ. electrically small antenna is suggested and its v.ltage response characteristics are considered.

关键词： Josephson junctions High-temperature superconductors YBa_(2)Cu_(3)O_(7-x)(YBCO) Focused helium ion beam fabrication technique Josephson multi-junction dev.ces Superconducting quantum interference dev.ce Activ. electrically small antenna

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