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Non-Adiabatic Molecular Dynamics Simulations of Non-Charge-Transfer and Charge-Transfer Scattering in H^++CO2 at ELab=30 eV

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Chinese Journal of Chemical Physics 2018年第3期31卷 300-312,367,368页

作者： Yun-An Yan Jorge a.morales Guizhou Provincial Key Laboratory of Computational Nano-material Science Guizhou Education University Guiyang 550018China Department of Chemistry and Biochemistry Texas Tech UniversityPO Box 41061LubbockTX 79409-1061USA

The H^++CO2 reaction at high energies is relevant in atmospheric chemistry,astrophysics,and proton cancer therapy ***,we present herein a complete investigation of H^++CO2 at ELab=30 eV with the simplest-level electron nuclear dynamics(SLEND)*** describes nuclei via classical mechanics and electrons with a singledeterminantal Thouless *** 3402 SLEND conducted simulations from 42 independent CO2 target orientations provide a full description of all the reactive processes and their mechanisms in this system:non-charge-transfer scattering(NCTS),charge-transfer scattering(CTS),and single C=O bond dissociation;all this valuable information about reactivity is not accessible *** details of the projectile scattering patterns are provided,including the appearance and coalescence of primary and secondary rainbow angles as a function of the target *** NCTS and CTS differential cross sections(DCSs)are evaluated in conjunction with advanced semi-classical *** NCTS DCS agrees well with its experimental counterpart at all the measured scattering angles,whereas SLEND CTS DCS agrees well at high scattering angles but less satisfactorily at lower ***,both NCTS and CTS SLEND DCSs predict the primary rainbow angle signatures in agreement with the experiment.

关键词： Quantum non-adiabatic dynamics Proton-molecule reactions Chargetransfer reactions Primary and secondary rainbow angle effects Collision-induced bond breaking Proton cancer therapy

Synthesis,characterization and antibacterial activity of copper,nickel and bimetallic Cu–Ni nanoparticles for potential use in dental materials

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Progress in Natural Science:Materials International 2014年第4期24卷 321-328页

作者： Liliana Argueta-Figueroa Raúl a.morales-Luckie Rogelio J.Scougall-Vilchis Oscar F.Olea-Mejía School of Medicine Autonomous University State of Mexico (UAEMex)Mexico Department of Materials Science Center for Research in Sustainable Chemistry (CIQS)Autonomous University State of Mexico (UAEMex)Km 14.5Carr.Toluca-AtlacomulcoZC 50200Toluca CityState of MexicoMexico Dental Research Center (CIEAO) Autonomous University State of Mexico (UAEMex)Mexico

The antibacterial effect is a desirable property in dental *** of simple methods for the preparation of nanosized metal particles has attracted significant attention because of their future applications due to unusual size-dependent antibacterial ***(Cu),Nickel(Ni) and bimetallic Cu–Ni nanoparticles were prepared by a simple chemical method and their antibacterial activity was tested against the widely used standard human pathogens Staphylococcus aureus(gram-negative) and Escherichia coli(gram-positive).Additionally,these nanoparticles were tested against the dental pathogen Streptococcus *** results are promising for potential use in dental materials science.

关键词： Antibacterial properties Metal nanoparticles Copper nanoparticles Nickel nanoparticles Nano-alloy

Distributed Monitoring of Power System Oscillations Using Multiblock Principal Component Analysis and Higher-order Singular Value Decomposition

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Journal of Modern Power Systems and Clean Energy 2022年第4期10卷 818-828页

作者： Arturo Román-Messina Alejandro Castillo-Tapia David A.Román-García Marcos A.Hernández-Ortega Carlos a.morales-Rergis Claudia M.Castro-Arvizu Center for Research and Advanced Studies(CINVESTAV)of the National Polytechnic Institute of Mexico GuadalajaraJal.45017Mexico Instituto Tecnológico y de Estudios Superiores de Monterrey GuadalajaraJal.45070Mexico Autonomous University of Guadalajara GuadalajaraJal.45129Mexico Centro de Enseñanza Técnica Industrial and he is also with UAGGuadalajaraJal.44638Mexico

The primary goal in the analysis of hierarchical distributed monitoring and control architectures is to study the spatiotemporal patterns of the interactions between areas or *** this paper,a novel conceptual framework for distributed monitoring of power system oscillations using multiblock principal component analysis(MB-PCA)and higher-order singular value decomposition(HOSVD)is proposed to understand,characterize,and visualize the global behavior of the power *** proposed framework can be used to evaluate the influence of a given area or utility on the oscillatory behavior,uncover low-dimensional structures from high-dimensional data,and analyze the effects of heterogeneous data on the modal characteristics and interpretation of power *** metrics are then investigated to examine the relationships between the dynamic patterns and participation of individual data blocks in the global behavior of the *** application of these techniques is demonstrated by case studies of two systems:a 14-machine test system and a 5449-bus 635-generator equivalent model of a large power system.

关键词： Distributed monitoring multiblock principal component analysis(MB-PCA) higher-order singular value decomposition(HOSVD) Tucker decomposition

Polyphenols as potential enhancers of stem cell therapy against neurodegeneration

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Neural Regeneration Research 2022年第10期17卷 2093-2101页

作者： Diana Rodríguez-Vera Antonio Abad-García Nancy Vargas-Mendoza Rodolfo Pinto-Almazán Eunice D.Farfán-García José a.morales-González Marvin A.Soriano-Ursúa Sección de Estudios de Posgrado e Investigación.Escuela Superior de Medicina Instituto Politécnico NacionalMéxico CityMéxico Unidad de Investigación Hospital Regional de Alta Especialidad IxtapalucaCarretera Federal México-Puebla km 34.5State of MéxicoMéxico

The potential of polyphenols for treating chronic-degenerative diseases(particularly neurodegenerative diseases)is ***,the selection of the best polyphenol for each treatment,the mechanisms by which they act,and their efficacy are frequently *** this review,the basics and the advances in the field,as well as suggestions for using natural and synthetic polyphenols alone or in a combinatorial strategy with stem cell assays,are compiled and ***,stem cells exhibit several responses when polyphenols are added to their environment,which could provide us with knowledge for advancing the elucidation of the origin of *** also,polyphenols are being included in the innovative strategies of novel therapies for treating neurodegenerative diseases as well as metabolic diseases related to *** this regard,flavonoid compounds are suggested as the best natural polyphenols due to their several mechanisms for acting in ameliorative effects;but increasing reports are involving other *** if some facts limiting bioactivity prevent them from conventional use,some natural polyphenols and derivatives hold the promise for being improved compounds,judged by their induced *** current results suggest polyphenols as enhancers of stem cell therapy against the targeted diseases.

关键词： Alzheimer’s disease chronic degenerative diseases combinatorial therapy metabolism neurodegenerative diseases neuronal damage neuroprotection Parkinson’s disease polyphenols stem cell assays

Staurosira longwanensis sp. nov., a new araphid diatom(Bacillariophyta)from Northeast China

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Staurosira longwanensis sp. nov., a new araphid diatom(Bacil...

Transmission of amyloid-βpathology in humans:a perspective on clinical evidence

中国科学院地质与地球物理研究所2014年度（第14届）学术年会

作者： Patrick Rioual Eduardo a.morales Guoqiang Chu Jingtai Han Dong Li Jiaqi Liu Qiang Liu Jens Mingram Luc Ector Key Laboratory of Cenozoic Geology and Environment Institute of Geology and Geophysics Chinese Academy of Sciences

Staurosira longwanensis sp. nov. is described from Sihailongwan maar lake, northeast China. The morphology of this new species is documented with light and scanning electron micrographs and discussed in comparison with several small species of Fragilariaceae. Staurosira longwanensis belongs in the genus Staurosira since it shares many features with taxa currently ascribed to it such as the position and characteristics of the spines, the characteristics of the areolae and apical pore fields. Apart from the type locality, S. longwanensis also occurs in another volcanic lake in northeast China, with circumneutral and oligotrophic water. Diatom analysis of the long sedimentary record retrieved from Lake Sihailongwan indicates that S. longwanensis has been present at low relative abundances in this lake at least since the Late Pleistocene.

关键词： Araphid diatoms Bacillariophyta China morphometric analysis palaeolimnology Staurosira longwanensis sp.nov.

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Neural Regeneration Research 2024年第2期19卷 390-392页

作者： Celso S.G.Catumbela Rodrigo morales Department of Neurology McGovern Medical SchoolThe University of Texas Health Science Center at HoustonHoustonTXUSA Centro Integrativo de Biologia y Quimica Aplicada(CIBQA) Universidad Bernardo O’HigginsSantiagoChile

Transmission of misfolded amyloid-β(Aβ)aggregates between human subjects:Protein misfolding disorders are a family of diseases characterized by the accumulation of misfolded protein *** proteinaceous structures,also known as amyloids,are key drivers of fatal neurodegenerative disorders such as prion diseases,Alzheimer’s disease(AD),Parkinson’s disease,and others.

关键词： amyloid diseases Aβ

基于回归算法和大数据云基础设施的美国加利福尼亚州地震预测

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世界地震译丛 2020年第1期51卷 33-53页

作者： G.Asencio-Cortés a.morales-Esteban X.Shang F.Martínez-álvarez 李帛珊李金新疆维吾尔自治区地震局

地震震级预测是近几十年来广泛研究的极具挑战性的问题,在文献中可以找到统计、地球物理和机器学习等研究方法,但并没有得出令人特别满意的结果。近年来,强大的大数据分析计算技术应运而生,使得海量数据分析成为可能。新方法利用了云体... 详细信息

地震震级预测是近几十年来广泛研究的极具挑战性的问题,在文献中可以找到统计、地球物理和机器学习等研究方法,但并没有得出令人特别满意的结果。近年来,强大的大数据分析计算技术应运而生,使得海量数据分析成为可能。新方法利用了云体系等物理资源。美国加利福尼亚州是世界上地震活动最活跃的地区之一,有许多可用数据。在本项工作中,为了预测未来7天内的地震震级,在大数据(使用1GB目录)情景下,探索几种回归算法与集成学习相结合的方法。使用Apache Spark框架、R语言的H2O库和亚马逊(Amazon)云基础设施,得到了极有希望的结果。

关键词：地震预测大数据分析聚类计算回归集成学习

Role of peripheral amyloid-β aggregates in Alzheimer’s disease: mechanistic, diagnostic, and therapeutic implications

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Neural Regeneration Research 2025年第4期20卷 1087-1089页

作者： Nazaret Gamez Rodrigo morales Department of Neurology The University of Texas Health Science Center at HoustonHoustonTXUSA Centro Integrativo de Biologia y Quimica Aplicada(CIBQA) Universidad Bernardo O’HigginsSantiagoChile

Compelling evidence demonstrates that the levels of peripheral amyloid-β(Aβ)fluctuate in Alzheimer’s disease(AD)***,Aβdeposits have been identified in peripheral ***,the relevance of peripheral Aβ(misfolded or not)in pathological situations,and the temporal appearance of these pathological fluctuations,are not well *** presence of misfolded Aβin peripheral compartments raises concerns on potential inter-individual transmissions considering the well-reported prion-like properties of this disease-associated *** latter is supported by multiple reports demonstrating that Aβmisfolding can be transmitted between humans and experimental animals through multiple routes of *** this mini-review,we discuss the potential implications of peripheral,disease-associated Aβin disease mechanisms,as well as in diagnostic and therapeutic approaches.

关键词： therapeutic amyloid latter

Vanillin Based Polymers:***(hydrovanilloin-furfural)and Poly(hydrovanilloin-5-hydroxymethylfurfural)

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Journal of Renewable Materials 2024年第9期12卷 1495-1506页

作者： Ananda S.Amarasekara Gabriel Murillo morales Raghava R.Kommalapati Department of Chemistry Prairie View A&M University700 University DrivePrairie ViewTX 77446USA Center for Energy&Environmental Sustainability Prairie View A&M University700 University DrivePrairie ViewTX 77446USA Department of Civil and Environmental Engineering Prairie View A&M University700 University DrivePrairie ViewTX 77446USA

Renewable resources based polymers provides a sustainable alternative to petroleum derived polymeric *** a part of our series on synthesis of vanillin based renewable polymers,we report the synthesis of poly(hydrovanilloin-furfural)[poly(HVL-Fur)]and poly(hydrovanilloin–5-hydromethylfurfural)[poly(HVL-5-HMF)].Vanillin was dimerized to a mixtures of meso/DL-hydrovanilloins with 94%meso product by electrochemical reductive coupling in aqueous sodium hydroxide using lead electrodes in quantitative *** sodium hydroxide catalyzed condensation of hydrovanilloin with furfural in water at 80℃for 72 h was used to synthesize poly(HVL-Fur)with Mw=8600 g mol^(−1),PDI=1.28 in 78%***,condensation of hydrovanilloin with 5-hydroxymethylfurfural at 80℃for 48 h produced poly(HVL-5-HMF)with Mw=12,100 g mol−1,PDI=1.27 in 68%***(HVL-Fur)and poly(HVL-5-HMF)showed similar Tg values of 59℃and 60℃,respectively;whereas melting behaviors are dissimilar with Tm 171℃–173℃and 148℃–182℃,respectively.

关键词： Vanillin hydrovanilloin furfural 5-hydroxymethylfurfural renewable polymers