检索结果-内蒙古大学图书馆

Liquid-Liquid Transition in Water from First Principles

Physical Review Letters 2022年第25期129卷 255702-255702页

作者： Thomas E. Gartner, III Pablo M. Piaggi Roberto Car Athanassios Z. Panagiotopoulos Pablo G. Debenedetti Department of Chemistry Princeton University Princeton New Jersey 08544 USA Department of Physics Princeton University Princeton New Jersey 08544 USA Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA Princeton Institute for the Science and Technology of Materials Princeton University Princeton New Jersey 08544 USA Department of Chemical and Biological Engineering Princeton University Princeton New Jersey 08544 USA

A long-standing question in water research is the possibility that supercooled liquid water can undergo a liquid-liquid phase transition (LLT) into high- and low-density liquids. We used several complementary molecular simulation techniques to evaluate the possibility of an LLT in an ab initio neural network model of water trained on density functional theory calculations with the SCAN exchange correlation functional. We conclusively show the existence of a first-order LLT and an associated critical point in the SCAN description of water, representing the first definitive computational evidence for an LLT in water from first principles.

关键词： Classical statistical mechanics First order phase transitions First-principles calculations Liquid-liquid phase transition Phase transitions Thermodynamics Deep learning Density functional theory Molecular dynamics

来源：评论

学校读者我要写书评

暂无评论

Pulverizing Fe₂O₃ Nanoparticles for Developing Fe₃C/N-Codoped Carbon Nanoboxes with Multiple Polysulfide Anchoring and Converting Activity in Li-S Batteries

引用

Advanced Functional Materials 2021年第18期31卷 2011249-2011249页

作者： Zhou, Changyu Li, Xiangcun Jiang, Helong Ding, Yu He, Gaohong Guo, Jiao Chu, Zhong Yu, Guihua State Key Laboratory of Fine Chemicals Chemical Engineering Department Dalian University of Technology Dalian 116024 China Materials Science and Engineering Program and Department of Mechanical Engineering The University of Texas at Austin Austin 78712 TX United States

Sluggish redox kinetics, shuttle effect, poor conductivity, and large volume change of sulfur limit the practical applications of lithium-sulfur batteries. Hollow, porous, and necklace-like Fe₃C/N-codoped carbon nanoboxes (Fe₃C/NC) connected by N-doped carbon (NC) nanofibers are designed by pulverizing Fe₂O₃ embedded in polyacrylonitrile (PAN) fibers to produce multifunctional sulfur hosts, which exhibit multiple polysulfide anchoring and catalytic conversion activities. Experimental and first-principles density functional theory studies reveal that the uniformly distributed Fe₃C and N units in the nanoboxes can significantly suppress the polysulfide shuttle effect. The conversion of polysulfides (LiPSs) to Li₂S is catalyzed during discharge. The process relies on the fast electron transfer through the NC nanofibers and facilitated Li⁺ diffusion through the porous nanobox shells. The structural characteristics (“boxes in fibers”) of the nanoboxes influence the high sulfur loading and tolerance of volume variation of LiPSs, resulting in the synergistic catalysis of the redox reactions. A high capacity of 645 mAh g⁻¹ after 240 cycles at 1 C, a high capacity of 712 mAh g⁻¹ at a high sulfur loading of 5 mg cm⁻² after 100 cycles at 0.2 C, and an enhanced areal capacity of 3.6 mAh cm⁻² are demonstrated. © 2021 Wiley-VCH GmbH.

关键词： Fe 3C fibers Li-S batteries membranes nanoboxes

来源：评论

学校读者我要写书评

暂无评论

Bacteria-based bioactive materials for tumor immunotherapy

Precision Medicine and Engineering

引用

Precision Medicine and engineering 2024年第2期1卷

作者： Yongcan Li Fangfang Cao Lie Ma Lulu Jin MOE Key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and Engineering Zhejiang University Hangzhou 310027 PR China Departments of Diagnostic Radiology Surgery Chemical and Biomolecular Engineering and Biomedical Engineering Yong Loo Lin School of Medicine and College of Design and Engineering National University of Singapore 119074 Singapore Nanomedicine Translational Research Program NUS Center for Nanomedicine Yong Loo Lin School of Medicine National University of Singapore 117597 Singapore

As one of the most abundant biological populations endowed with unique properties such as specific targeting and genetic engineering vectors, bacteria with immunogenic potential have garnered significant attention for their ability to elicit immune activation against tumors. This approach has achieved substantial breakthroughs as a modality for cancer treatment and is known as bacterial immunotherapy. However, the immunosuppressive tumor microenvironment (TME) can inhibit the immune response induced by bacteria and promote tumor growth and metastasis. To overcome this challenge, recent advancements in bacteria-based bioactive materials, which are biological substances synthesized by bacteria, have not only harnessed the inherent properties of bacteria but also specifically targeted the modulation of the TME, providing a more favorable environment for immune activation and significantly enhancing the efficacy of immunotherapy for cancer treatment. This review introduces the key mechanisms of bacteria-based biomaterials as anticancer agents and reviews the latest research progress, along with their clinical applications in cancer treatment. Finally, the potential and challenges of bacteria-based biomaterials for tumor therapy are explored, aiming to provide insights into the functions of bacteria-based bioactive materials and their role in advancing cancer immunotherapy while offering recommendations for the development of new bacteria-based biomaterials.

关键词： Tumor immunotherapy Immune cells Tumor microenvironment Bioactive materials

来源：评论

学校读者我要写书评

暂无评论

Precise Modulation of Circularly Polarized Luminescence via Polymer Chiral Co-assembly and Contactless Dynamic Chiral Communication

引用

Angewandte Chemie 2024年第17期136卷

作者： Dr. Gong Zhang Yinglong Bao Haotian Ma Nianwei Wang Dr. Xiaoxiao Cheng Zixiang He Xiang Wang Dr. Tengfei Miao Prof. Wei Zhang State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials Jiangsu Engineering Laboratory of Novel Functional Polymeric Materials Suzhou Key Laboratory of Macromolecular Design and Precision Synthesis College of Chemistry Chemical Engineering and Materials Science Soochow University Suzhou 215123 China Jiangsu Key Laboratory for Chemistry of Low-Dimensional Materials School of Chemistry and Chemical Engineering Huaiyin Normal University Huaian 223300 China Department School of Chemical and Environmental Engineering Anhui Polytechnic University Wuhu 241000 China

Circularly polarized luminescence (CPL) plays a pivotal role in cutting-edge display and information technologies. Currently achieving precise color control and dynamic signal regulation in CPL still remains challenging due to the elusory relationship between fluorescence and chirality. Inspired by the natural mechanisms governing color formation and chiral interaction, we proposed an addition-subtraction principle theory to address this issue. Three fluorene-based polymers synthesized by Suzuki polycondensation with different electron-deficient monomers exhibit similar structures and UV/Vis absorption, but distinct fluorescence emissions due to intramolecular charge transfer. Based on this, precise-color CPL-active films are obtained through quantitative supramolecular co-assembly directed by addition principle . Particularly, an ideal white-emitting CPL film (CIE coordinates: (0.33, 0.33)) is facilely fabricated with a high quantum yield of 80.8 % and a dissymmetry factor ( g lum ) of 1.4×10 −2 . Structural analysis reveals that the ordered stacking orientation favors higher g lum . Furthermore, to address the dynamically regulated challenge, the comparable subtraction principle is proposed, involving a contactless chiral communication between excited and ground states. The representative system consisting of as-prepared fluorene-based polymers and chirality-selective absorption azobenzene (Azo)-containing polymers is constructed, achieving CPL weakening, reversal, and enhancement. Finally, a switchable quick response code is realized based on trans - cis isomerization of Azo moiety.

关键词： Circularly polarized luminescence Supramolecular chirality Chiral assembly Chiral communication Polymer

来源：评论

学校读者我要写书评

暂无评论

Effect of alginate and chitosan addition in the fabrication of polyvinyl alcohol-based matrix for tissue engineering applications

引用

AIP Conference Proceedings 2024年第1期3215卷

作者： Retno Wahyu Nurhayati Fatimah Azzahra Nuzli Fahdia Mazfufah Siti Fauziyah Rahman Wildan Mubarok Department of Chemical Engineering Faculty of Engineering Universitas Indonesia 16464 Depok Indonesia Research Center for Biomedical Engineering Faculty of Engineering Universitas Indonesia 16464 Depok Indonesia Stem Cells & Tissue Engineering Cluster Indonesian Medical Education and Research Institute Faculty of Medicine Universitas Indonesia Jakarta 10430 Indonesia Doctoral Program in Biomedical Sciences Faculty of Medicine Universitas Indonesia Jakarta 10430 Indonesia Department of Electrical Engineering Faculty of Engineering Universitas Indonesia 16464 Depok Indonesia Division of Chemical Engineering Department of Materials Engineering Science Graduate School of Engineering Science Osaka University 560-0031 Toyonaka Japan

Recently, there has been a growing interest in artificial skin on hydrogels as a potential alternative for animal testing to evaluate the efficacy and safety of new drugs or cosmetics. Synthetic polymers have been widely used due to their superior physicochemical properties. However, synthetic polymers such as polyvinyl alcohol (PVA) are limited by their poor biocompatibility and cell adhesion. Combining synthetic and natural polymers can improve these properties. Therefore, in this study, we aimed to investigate the effect of alginate and chitosan addition to PVA-based hydrogels on protein adsorption, cell viability and cell attachment. The addition of chitosan decreased protein adsorption, which was caused by the changes in electrostatic charge by PVA-chitosan interaction and changes in surface roughness. Primary human fibroblast cells cultured on PVA, PVA-alginate and PVA-chitosan had >80% viability which indicates the cytocompatibility of the hydrogels. More importantly, alginate and chitosan also improved the cell attachment on the PVA-based hydrogels. Taken together, the addition of both alginate and chitosan has the potential to improve PVA-based hydrogels for artificial skin application.

关键词：

来源：评论

学校读者我要写书评

暂无评论

Nuclear m⁶A modification regulates satellite transcription and chromosome segregation

引用

Nature chemical Biology 2025年 1-13页

作者： Huang, Chenyang Shu, Xiao Zhou, Siting Mi, Yujie Bian, Hanxiao Li, Ting Li, Tengwei Ying, Xiner Cheng, Chongguang Liu, Donghong Gao, Minsong Wen, Yongjian Ma, Quan Wang, Fengqin Cao, Jie Wang, Jinkai Liu, Jianzhao MOE Key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and Engineering Zhejiang University Hangzhou China College of Materials and Chemistry & Chemical Engineering Chengdu University of Technology Chengdu China Department of Medical Informatics Zhongshan School of Medicine Sun Yat-sen University Guangzhou China Key Laboratory for Stem Cells and Tissue Engineering (Sun Yat-Sen University) Ministry of Education Guangzhou China Laboratory of Fruit Quality Biology Zhejiang Provincial Key Laboratory of Horticultural Plant Integrative Biology Zhejiang University Hangzhou China College of Biosystems Engineering and Food Science Zhejiang University Hangzhou China College of Animal Sciences Key Laboratory of Animal Nutrition & Feed Sciences Ministry of Agriculture Zhejiang University Hangzhou China Life Sciences Institute Zhejiang University Hangzhou China State Key Laboratory of Transvascular Implantation Devices Hangzhou China Center for RNA Medicine International Institutes of Medicine Zhejiang University Yiwu China

The precise location and functions of N6-methyladenosine (m6A) modification on mammalian nuclear noncoding RNA remain largely unknown. Here we developed nuclear-m6A-label-seq to directly map human and mouse cell nucle...

The precise location and functions of N⁶-methyladenosine (m⁶A) modification on mammalian nuclear noncoding RNA remain largely unknown. Here we developed nuclear-m⁶A-label-seq to directly map human and mouse cell nuclear RNA m⁶A methylome at single-base resolution. Specifically, m⁶A modifications have been identified on abundant human γ satellite DNA II (GSATII) RNA transcripts, a type of repeat RNA, transcribed from SST1–TAR1–GSATII satellite arrays in the pericentromeric region of chromosome 9. GSATII RNA m⁶A positively regulates the transcription of GSATII-located satellite arrays as well as trans-associated peri/centromeric satellites, typically chromosome 3 centromeric higher-order repeat α satellite. Dysregulation of this circuit renders a phenotype of abnormal chromosome segregation. Mechanistic study reveals that YTHDC1 reads GSATII RNA m⁶A marks and recruits bromodomain protein 4 (BRD4) to promote transcriptions of the associated satellites via an m⁶A–YTHDC1–BRD4–H3K27ac axis. These results uncover a mechanism governing the transcription of cis- and trans-associated pericentromeric and centromeric satellites via cross-talk between epitranscriptomic and epigenomic marks. (Figure presented.) © The Author(s), under exclusive licence to Springer Nature America, Inc. 2025.

关键词：

来源：评论

学校读者我要写书评

暂无评论

Biochar supported metal cobalt activated PAA to efficiently degrade CBZ: The important role of Co (IV) in the generation of peroxyacyl radicals

引用

Journal of Water Process engineering 2025年 75卷

作者： Mengyu Li Shaochun Yuan Yuhang Liu Siqi Chen Mingyang Si Rong Liu Bangxing Ren Zhe Zhang Zhen Liu School of River and Ocean Engineering Chongqing Jiaotong University Chongqing 400074 China Engineering Laboratory of Environmental Hydraulic Engineering of Chongqing Municipal Development and Reform Commission Chongqing Jiaotong University Chongqing 400074 China Environmental Engineering and Science Program Department of Chemical and Environmental Engineering (ChEE) University of Cincinnati Cincinnati OH 45221-0071 USA

This study utilized biochar-supported transition metal cobalt as a model catalyst to activate peracetic acid (PAA) for carbamazepine (CBZ) degradation. The acetyl peroxyl radical (CH 3 (CO)OO•) was identified as the predominant reactive oxygen species (ROS) responsible for CBZ degradation in this system, with its generation primarily facilitated by the catalytic activation of PAA mediated by high-valent cobalt species [Co(IV)]. The generation of Co(IV) species occurs via PAA-mediated stepwise single-electron oxidation of Co(II). Comprehensive characterization techniques (SEM, XRD, FTIR, XPS) demonstrated that cobalt-modified biochar (Co@BC 700°C ) exhibits a layered structure with increased surface area and numerous functional groups. The incorporation of cobalt simultaneously increases active site density and optimizes electron transfer efficiency within the BC. As a result, Co@BC 700°C activated PAA achieved efficient degradation of CBZ within 10 min under weakly acidic conditions. The comprehensive free radical investigation experiments collectively demonstrated that CH 3 (CO)OO• as the dominant reactive species driving CBZ degradation. Meanwhile, chemical trapping experiments confirmed that Co(IV) species significantly influence the degradation of CBZ, and the primary role of Co(IV) species is to mediate the generation of CH 3 (CO)OO• via electron transfer mechanisms. Furthermore, integrated toxicological assessments and circulation experiments verified the catalytic potential of Co@BC 700°C , demonstrating sustained removal efficiency in complex aqueous environments containing competitive anions and natural organic species. The results of this study provide innovative understanding of CH 3 (CO)OO• formation through Co(IV)-activated PAA catalysis, as well as a unique viewpoint on applying PAA-driven advanced oxidation technologies for wastewater treatment.

关键词： Acetylperoxy radical High-valent cobalt species Peracetic acid activation

来源：评论

学校读者我要写书评

暂无评论

Cu@Nc as High-Performance and Durable Electrocatalyst for Oxygen Reduction Reaction in Alkaline Membrane Fuel Cells

SSRN

引用

SSRN 2022年

作者： Peera, Shaik Gouse Liu, Chao Asokan, Arunchander Suss, Matthew E. Department of Environmental Science Keimyung University 1095 Dalseo-gu Daegu42601 Korea Republic of Faculty of Materials Metallurgy and Chemistry Jiangxi University of Science and Technology Ganzhou341000 China Faculty of Mechanical Engineering Technion – Israel Institute of Technology Haifa320003 Israel Grand Technion Energy Program Technion – Israel Institute of Technology Haifa3200003 Israel Wolfson Department of Chemical Engineering Technion – Israel Institute of Technology Haifa3200003 Israel

Discovery of electrocatalysts composed of cheap transition metals are in urgent to replace the traditional Pt/C catalyst used for oxygen reduction reaction (ORR). Herein, we synthesized Cu nanoparticles encapsulated with nitrogen-doped carbon (Cu@NC) as an excellent and durable catalyst for ORR. A systematic evaluation of effect of Cu content, acid leaching and secondary heat treatment have been established with the help of half-cell studies. The morphological analysis revealed that Cu nanoparticles surrounded by a thick nitrogen doped carbon layers and further, the acid leaching and subsequent pyrolysis, boosted the electrocatalytic performance. The optimized Cu@NC catalyst showed onset potential and half-wave potential of 0.975 V vs. RHE (potential corresponding to a current density of 0.1 mA cm-2) and 0.85 V vs. RHE, surpassing Pt/C catalyst. In addition, the Cu@NC catalyst exhibited outstanding durability, tolerance to carbon monoxide and methanol molecules. In the alkaline fuel cell, Cu@NC catalyst delivered 118 mW cm-2 peak power density in alkaline fuel cell operated with H2-O2, whereas Pt/C only delivered a peak power density of 97 mW cm-2 under ambient operating conditions. High ORR activity and better stability of Cu@NC catalyst could be a potential alternative to Pt/C catalyst in alkaline fuel cells and metal-air cell cathodes. © 2022, The Authors. All rights reserved.

关键词： Electrolytic reduction

来源：评论

学校读者我要写书评

暂无评论

Charge and Energy Transfer Dynamics of Hybridized Exciton-Polaritons in 2D Halide Perovskites

arXiv

引用

arXiv 2023年

作者： Anantharaman, Surendra B. Lynch, Jason Stevens, Christopher E. Munley, Christopher Li, Chentao Hou, Jin Zhang, Hao Torma, Andrew Darlington, Thomas Coen, Francis Li, Kevin Majumdar, Arka Schuck, P. James Mohite, Aditya Harutyunyan, Hayk Hendrickson, Joshua R. Jariwala, Deep Department of Electrical and Systems Engineering University of Pennsylvania PhiladelphiaPA19104 United States KBR Inc. BeavercreekOH45431 United States Air Force Research Laboratory Sensors Directorate Wright-Patterson Air Force Base OH45433 United States Department of Physics University of Washington SeattleWA98195 United States Department of Physics Emory University AtlantaGA30322 United States Department of Chemical and Biomolecular Engineering Rice University HoustonTX77005 United States Department of Materials Science and Nanoengineering Rice University HoustonTX77005 United States Applied Physics Program Smalley‐Curl Institute Rice University HoustonTX77005 United States Department of Mechanical Engineering Columbia University New YorkNY10027 United States Department of Electrical and Computer Engineering University of Washington SeattleWA98195 United States

Excitons, bound electron-hole pairs, in Two-Dimensional Hybrid Organic Inorganic Perovskites (2D HOIPs) are capable of forming hybrid light-matter states known as exciton-polaritons (E-Ps) when the excitonic medium is confined in an optical cavity. In the case of 2D HOIPs, they can self-hybridize into E-Ps at specific thicknesses of the HOIP crystals that form a resonant optical cavity with the excitons. However, the fundamental properties of these self-hybridized E-Ps in 2D HOIPs, including their role in ultrafast energy and/or charge transfer at interfaces, remain unclear. Here, we demonstrate that > 0.5 µm thick 2D HOIP crystals on Au substrates are capable of supporting multiple-orders of self-hybridized E-P modes. These E-Ps have high Q factors (> 100) and modulate the optical dispersion for the crystal to enhance sub-gap absorption and emission. Through varying excitation energy and ultrafast measurements, we also confirm energy transfer from higher energy upper E-Ps to lower energy, lower E-Ps. Finally, we also demonstrate that E-Ps are capable of charge transport and transfer at interfaces. Our findings provide new insights into charge and energy transfer in E-Ps opening new opportunities towards their manipulation for polaritonic devices. © 2023, CC BY.

关键词： Charge transfer

来源：评论

学校读者我要写书评

暂无评论

Construction of Metallacycle-Linked Heteroarm Star Polymers via Orthogonal Post-Assembly Polymerization and Their Intriguing Self-Assembly into Large-Area and regular Nanocubes

引用

中国化学（英文版） 2020年第11期38卷 1285-1291页

作者： Shu-Ting Jiang Wei Zheng Guang Yang Yu Zhu Li-Jun Chen Qi-Feng Zhou Yu-Xuan Wang Zhen Li Guang-Qiang Yin Xiaopeng Li Hong-Ming Ding Guosong Chen Hai-Bo Yang Shanghai Key Laboratory of Green Chemistry and Chemical Processes School of Chemistry and Molecular Engineering East China Normal UniversityShanghai 200062 China Shanghai Key Laboratory of Green Chemistry and Chemical Processes School of Chemistry and Molecular Engineering East China Normal UniversityShanghai 200062 China Biomass Molecular Engineering Center Anhui Agricultural University Hefei Anhui 230036 China Shanghai Key Laboratory of Green Chemistry and Chemical Processes School of Chemistry and Molecular Engineering East China Normal UniversityShanghai 200062 China Shanghai Key Laboratory of Green Chemistry and Chemical Processes School of Chemistry and Molecular Engineering East China Normal UniversityShanghai 200062 China Shanghai Key Laboratory of Green Chemistry and Chemical Processes School of Chemistry and Molecular Engineering East China Normal UniversityShanghai 200062 China Shanghai Key Laboratory of Green Chemistry and Chemical Processes School of Chemistry and Molecular Engineering East China Normal UniversityShanghai 200062 China The State Key Laboratory of Molecular Engineering of Polymers and Department of Macromolecular Science Fudan University Shanghai 200433 China The State Key Laboratory of Molecular Engineering of Polymers and Department of Macromolecular Science Fudan University Shanghai 200433 China Shanghai Key Laboratory of Green Chemistry and Chemical Processes School of Chemistry and Molecular Engineering East China Normal UniversityShanghai 200062 China

In recent years,synthesis of hybrid heteroarm star polymer with precisely defined arms has evolved to be one of the most attractive topics within polymer *** this study,we present the successful synthesis of metallacycle-linked heteroarm star polymers(HASPs)composed of crystalline poly(e-caprolactone)(PCL)and polyacrylate(poly(N-isopropylacrylamide)(PNIPAM)segments via combination of ring-opening polymerization(ROP)and reversible addition-fragmentation chain transfer(RAFT)controlled radical ***,a hexagonal metallacycle containing three hydroxy groups and three chain transfer agent moieties at the alternative vertexes was designed and synthesized based on the general principle of coordination-driven ***,upon combination of two orthogonal post-assembly polymerizations,a new family of HASPs containing a well-defined hexagonal metallacycle with precisely controlled position of polymer arms was facilely ***,the obtained HASPs could spontaneously self-assemble into large-area and regular cubic nanoparticles in tetrahydrofuran(THF)/methanol(MeOH)mixed solvents under specific conditions as confirmed by scanning electron microscopy(SEM)and atomic force microscopy(AFM).This study provides a simple route to the controllable preparation of HASPs,and opens up a new way for further study on self-assembly of different HASPs systems.

关键词：

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：