检索结果-内蒙古大学图书馆

The 4th International Congress on Advanced Materials (AM2018)

作者： Narumol Pattarapongdilok Vudhichai Parasuk Nanoscience and Technology Program Graduate School Chulalongkorn University Center of Excellence in Computational Chemistry Department of Chemistry Faculty of Science Chulalongkorn University

Adsorptions of lithium ions/atom on hexagonal-shape Graphene Quantum Dots（GQDs） were investigated using M06-2 X/6-31 g（d）. Three sizes of GQDs, CH, CH, and CH were selected. To represent charge and discharge condition of lithium-ion battery, the charge of GQDs was set to-1（discharge）, 0, and 1（charge）. Both Li and Li like to be adsorbed at hexagonal ring in the outermost circle of GQDs. The adsorption energy depends on both charge state and size and Li or Li. For Li, the adsorption on [GQD]-gives the strongest interaction and is reduced as size increases. The adsorption of Li becomes weaker when adsorbed on [GQD] and [GQD] and the size-dependent of adsorption energies is reversed. The adsorption of Li atom is the strongest for [GQD] and weakest for [GQD]-. We found the size-dependent of adsorption energy similar to Li/[GQD] and [GQD]. For the discharge condition Li can replace Li atom on GQDs（electrode） and vice versa for the charge condition. The attachment of Li on GQDs is much stronger than Li atom. We found that the second Li can be deposited only [GQD]-and more preferably for small size GQD.

关键词： Graphene Graphene Quantum dots Lithium adsorption

来源：评论

学校读者我要写书评

暂无评论

Structural characterization of RNA-binding sites of proteins: Preliminary results

Structural characterization of RNA-binding sites of proteins...

引用

IEEE International Conference on Bioinformatics and Biomedicine Workshops (BIBMW)

作者： Fadi Towfic David C. Gemperline Cornelia Caragea Feihong Wu Drena Dobbs Vasant Honavar Bioinformatics and Computational Biology Graduate Program Iowa State University Ames IA USA Department of Biology Department of Chemistry Carthage College Kenosha WI USA Department of Computer Science Iowa State University Ames IA USA Department of Genetics Development and Cell Biology Bioinformatics and Computational Biology Graduate Program Iowa State University Ames IA USA Department of Computer Science Bioinformatics and Computational Biology Graduate Program Iowa State University Ames IA USA

We explore whether protein-RNA interfaces differ from non-interfaces in terms of their structural features and whether structural features vary according to the type of the bound RNA (e.g., mRNA, siRNA...etc), using a non-redundant dataset of 147 protein chains extracted from protein-RNA complexes in the protein data bank. Our analysis of surface roughness, solid angle and CX value of amino acid residues for each of the protein chains in the dataset shows that: The protein-RNA interface residues tend to be protruding compared to non-interface residues and tend to have higher surface roughness and exhibit moderately convex or concave solid angles. Furthermore, the protein chains in protein-RNA interfaces that contain Viral RNA and rRNA significantly differ from those that contain dsRNA, mRNA siRNA, snRNA, SRP RNA and tRNA with respect to their CX values. The results of this analysis sug gests the possibility of using such structural features to reliably identify protein-RNA interface residues when the structure of the protein is available but the structures of complexes formed by the protein with RNA are not.

关键词： RNA Protein engineering Biology computing Amino acids Bioinformatics Computer interfaces Rough surfaces Surface roughness Solids Machine learning

来源：评论

学校读者我要写书评

暂无评论

BPS2025 - Structural basis of potassium selectivity in kalium channelrhodopsins

引用

Biophysical Journal 2025年第3期124卷 64a-65a页

作者： Seiya Tajima Yoon Seok Kim YoungJu Jo Peter Y. Wang Joseph M. Paggi Charu Ramakrishnan Shunki Takaramoto Takashi Nagata Masae Konno Kota Katayama Hideki Kandori Ron O. Dror Keiichi Inoue Karl Deisseroth Hideaki Kato Research Center for Advanced Science and Technology The University of Tokyo Tokyo Japan Department of Bioengineering Stanford University Stanford CA USA Department of Computer Science Stanford University Stanford CA USA Cracking the Neural Code Program Stanford University Stanford CA USA The Institute for Solid State Physics The University of Tokyo Kashiwa Japan PRESTO Japan Science and Technology Agency Kawaguchi Japan Department of Life Science and Applied Chemistry Nagoya Institute of Technology Nagoya Japan OptoBioTechnology Research Center Nagoya Institute of Technology Nagoya Japan Institute for Computational and Mathematical Engineering Stanford University Stanford CA USA Howard Hughes Medical Institute Stanford University Stanford CA USA Graduate School of Arts and Sciences The University of Tokyo Tokyo Japan

来源：评论

学校读者我要写书评

暂无评论

Parsimonious reconstruction of network evolution

Parsimonious reconstruction of network evolution

引用

Lecture Notes in Computer science

作者： Patro, Rob Sefer, Emre Malin, Justin Marçais, Guillaume Navlakha, Saket Kingsford, Carl Center for Bioinformatics and Computational Biology University of Maryland College Park MD 20742 United States Department of Computer Science University of Maryland College Park MD 20742 United States Computational Biology Bioinformatics and Genomics Concentration Biological Sciences Graduate Program University of Maryland College Park MD 20742 United States Program in Applied Mathematics Statistics and Scientific Computation University of Maryland College Park MD 20742 United States School of Computer Science Carnegie Mellon University Pittsburgh PA 15213 United States

ISBN: (纸本)9783642230370

We consider the problem of reconstructing a maximally parsimonious history of network evolution under models that support gene duplication and loss and independent interaction gain and loss. We introduce a combinatorial framework for encoding network histories, and we give a fast procedure that, given a set of duplication histories, in practice finds network histories with close to the minimum number of interaction gain or loss events. In contrast to previous studies, our method does not require knowing the relative ordering of unrelated duplication events. Results on simulated histories suggest that common ancestral networks can be accurately reconstructed using this parsimony approach. © 2011 Springer-Verlag.

关键词： Genes

来源：评论

学校读者我要写书评

暂无评论

Aircraft passenger cabin ECS-generated ventilation velocity and mass transport CFD simulation: Mass transport validation exercise

Journal of the IEST

引用

Journal of the IEST 2008年第1期51卷 90-113页

作者： Baker, A. Ericson, S. Orzechowski, J. Wong, K. Garner, R. Engineering Science Graduate Program University of Tennessee United States Computational Fluid Dynamics Laboratory University of Tennessee United States Joint Institute for Computational Science University of Tennessee United States Federal Aviation Administration Civil Aerospace Medical Institute United States

A collaborative research project established between the University of Tennessee (UT) computational fluid dynamics (CFD) lab and the Federal Aviation Administration (FAA) Civil Aerospace Medical Institute (CAMI) sought to validate CFD prediction of the environmental control system (ECS)-generated ventilation velocity vector field with induced mass transport. The results of the velocity field validation exercise were published previously. An FAA Cooperative Research and Development Agreement (CRADA) project generated an experimental database of time-dependent inserted mass distributions in the CAMI Aircraft Environmental Research Facility (AERF). The companion CFD mass transport simulations were conducted at the UT CFD Lab using both commercial and proprietary computer codes. This paper reports the qualified results of the mass transport validation exercise.

关键词： Cabins (aircraft)

来源：评论

学校读者我要写书评

暂无评论

Tungsten Nitride (W5N6): An Ultraresilient 2D Semimetal

引用

Nano Letters 2024年第1期24卷 67-73页

作者： Chin, Hao-Ting Wang, Deng-Chi Gulo, Desman Perdamaian Yao, Yu-Chi Yeh, Hao-Chen Muthu, Jeyavelan Chen, Ding-Rui Kao, Tzu-Chun Kalbáč, Martin Lin, Ping-Hui Cheng, Cheng-Maw Hofmann, Mario Liang, Chi-Te Liu, Hsiang-Lin Chuang, Feng-Chuan Hsieh, Ya-Ping Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taipei10617 Taiwan International Graduate Program of Molecular Science and Technology National Taiwan University Taipei10617 Taiwan Institute of Atomic and Molecular Sciences Academia Sinica Taipei10617 Taiwan Department of Physics National Sun Yat-Sen University Kaohsiung80424 Taiwan Department of Physics National Taiwan Normal University Taipei11677 Taiwan Department of Physics National Taiwan University Taipei10617 Taiwan Institute of Physics Academia Sinica Taipei115201 Taiwan International Graduate Program of Nano Science and Technology National Taiwan University Taipei10617 Taiwan Graduate Institute of Applied Physics National Taiwan University Taipei10617 Taiwan J. Heyrovský Institute of Physical Chemistry Czech Academy of Sciences Dolejškova 2155/3 Prague182 23 Czech Republic Hsinchu300092 Taiwan Physics Division National Center for Theoretical Sciences Taipei10617 Taiwan Center for Theoretical and Computational Physics National Sun Yat-sen University Kaohsiung80424 Taiwan

Two-dimensional transition metal nitrides offer intriguing possibilities for achieving novel electronic and mechanical functionality owing to their distinctive and tunable bonding characteristics compared to other 2D materials. We demonstrate here the enabling effects of strong bonding on the morphology and functionality of 2D tungsten nitrides. The employed bottom-up synthesis experienced a unique substrate stabilization effect beyond van-der-Waals epitaxy that favored W5N6 over lower metal nitrides. Comprehensive structural and electronic characterization reveals that monolayer W5N6 can be synthesized at large scale and shows semimetallic behavior with an intriguing indirect band structure. Moreover, the material exhibits exceptional resilience against mechanical damage and chemical reactions. Leveraging these electronic properties and robustness, we demonstrate the application of W5N6 as atomic-scale dry etch stops that allow the integration of high-performance 2D materials contacts. These findings highlight the potential of 2D transition metal nitrides for realizing advanced electronic devices and functional interfaces. © 2023 American Chemical Society

关键词： Tungsten compounds

来源：评论

学校读者我要写书评

暂无评论

Preliminary Evaluation of Kyokko for Inter-FPGA Communication Framework CIRCUS

Preliminary Evaluation of Kyokko for Inter-FPGA Communicatio...

引用

IEEE International Conference on Cluster Computing Workshops and Posters (CLUSTER WORKSHOPS)

作者： Kaito Kitazume Norihisa Fujita Ryohei Kobayashi Taisuke Boku Master's Program in Computer Science Degree Programs in Systems and Information Engineering Graduate School of Science and Technology University of Tsukuba Center for Computational Sciences University of Tsukuba

In recent years, Field-programmable Gate Arrays (FPGAs) are gaining attention as computational acceleration devices in the field of high-performance computing. By implementing specialized circuits that can be customiz... 详细信息

ISBN: (数字)9798350383454

ISBN: (纸本)9798350383461

关键词： Conferences High performance computing Circuits Cluster computing Low latency communication Field programmable gate arrays

来源：评论

学校读者我要写书评

暂无评论

Stochastic Petri Net Models for the Study of Macrophage Reprogramming

Stochastic Petri Net Models for the Study of Macrophage Repr...

引用

IEEE International Conference on Bioinformatics and Biomedicine

作者： Elvis H. Ribeiro Alexandre B. Pigozzo Carolina R. Xavier Rodrigo W. dos Santos Marcelo Lobosco Department of Computer Science Federal University of Sao Joao Del Rei Graduate Program in Computational Modeling Federal University of Juiz de Fora

ISBN: (纸本)9781728118680

In recent years, Petri nets are being used for modeling complex biological systems. Examples include the modeling of biochemical reactions, protein interaction networks, gene regulation networks and the immune system. In this work, Petri nets are used to model the innate immune response to a bacterial infection. The objective of this work is to study how changes in macrophage phenotype impact the regulation and resolution of the immune response. From simulations performed, we have observed that the conversion between a M1 proinflammatory phenotype to a M2 regulatory phenotype during an inflammatory response is an important process to avoid a state of persistent inflammation.

关键词： stochastic Petri net innate immune response macrophage reprogramming chronic inflammation Petri nets Innate Immune Response Chronic inflammation Macrophages reprogramming Inflammatory Response Modeling Immune System

来源：评论

学校读者我要写书评

暂无评论

Exploring the mutation tendency of a specific region in the virus taxonomic groups using data mining techniques

Exploring the mutation tendency of a specific region in the ...

引用

2022 IEEE International Conference on Big Data, Big Data 2022

作者： Je, Mikyung Cho, Myeongji Kim, Yoon Jung Son, Hyeon S. Seoul National University Interdisciplinary Graduate Program in Bioinformatics College of Natural Science Seoul Korea Republic of Honam National Institute of Biological Resources Division of Bio It Mokpo Korea Republic of Seoul National University Lab. of Computational Virology and Viroinformatics Graduate School of Public Health Seoul Korea Republic of Seoul National University Institute of Health and Environment Seoul Korea Republic of

ISBN: (纸本)9781665480451

The GDNQ motif is mainly found in nonsegmented (-)ssRNA viruses and plays a role in the catalytic and polymerase activity pathways. However, in some recently reported dsRNA mycoviruses, the GDNQ motif of the (-)ssRNA virus group is found instead of the GDD motif commonly found in the dsRNA virus group. Therefore, in this study, data mining techniques were used to explore the mutation tendency of a specific region in the virus taxonomic groups. Viral protein sequences were obtained from the NCBI Virus data repository, and the performance of several known string-searching algorithms (BF, KMP, and BM) was evaluated to establish an optimal strategy for extracting useful information from sequence big data. Then, the pattern-matching performance of the algorithm was tested to detect whether the conserved region sequence was a common motif type or a mutated motif type. As a result of the analysis, it was confirmed that the BF method produced the fastest results. However, the BM method recorded higher accuracy. Through the virus mutation tendency derived from the analysis results, it was confirmed that 7.1% of dsRNA viruses had a mutated motif type based on the total data analyzed and that it was relatively recent that ssRNA virus motif variants began to be discovered in dsRNA viruses. It is expected that additional in-depth analysis of the host range and infection route of viruses with the mutation will help understand the evolution of dsRNA and ssRNA mycoviruses. © 2022 IEEE.

关键词： Big data

来源：评论

学校读者我要写书评

暂无评论

Exploring transposable element-based markers to identify allelic variations underlying agronomic traits in rice

引用

Plant Communications 2022年第3期3卷 59-71页

作者： Haidong Yan David C.Haak Song Li Linkai Huang Aureliano Bombarely School of Plant and Environmental Sciences Virginia TechBlacksburgVA 24061USA Graduate Program in Genetics Bioinformatics and Computational Biology(GBCB)Virginia TechBlacksburgVA 24061USA Department of Grassland Science Animal Science and Technology CollegeSichuan Agricultural UniversityChengdu 611130China Department of Bioscience Universita degli Studi di Milano(UNIMI)20133 MilanoItaly Instituto de Biologıa Molecular y Celular de Plantas(IBMCP) UPV-CSIC46022 ValenciaSpain

Transposable elements(TEs)are a major force in the production of new alleles during domestication;nevertheless,their use in association studies has been limited because of their *** have developed a TE genotyping pipeline(TEmarker)and applied it to whole-genome genome-wide association study(GWAS)data from 176 Oryza sativa *** accessions to identify genetic elements associated with specific agronomic *** markers recovered a large proportion(69%)of single-nucleotide polymorphism(SNP)-based GWAS peaks,and these TE peaks retained ca.25%of the *** use of TEs in GWASs may reduce false positives associated with linkage disequilibrium(LD)among SNP markers.A genome scan revealed positive selection on TEs associated with agronomic *** found several cases of insertion and deletion variants that potentially resulted from the direct action of TEs,including an allele of LOC_Os11g08410 associated with plant height and panicle length ***,these findings reveal the utility of TE markers for connecting genotype to phenotype and suggest a potential role for TEs in influencing phenotypic variations in rice that impact agronomic traits.

关键词： transposable element marker agronomic trait rice GWAS

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：