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A Density Functional Study on the Geometries of Compounds Fe（HCN）_n+ （n = 1～6）

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Chinese Journal of Structural Chemistry 2004年第12期 1346-1355+1327页

作者： HU Jian-Minga, b li Yia li jun-qiana② ZHANG Yong-Fana CHEN Wen-Kaia a(College of Chemistry and Chemical Engineering, Fuzhou University, State Key Laboratory of Structural Chemistry, Fuzhou 350002, China) b(Scientific and Technical Section, Command Academy of Fuzhou, The Chinese People’s Police Army, Fuzhou 350002, China)

The possible geometries of Fe(HCN)n (n = 1～6) compounds were studied by using + DFT/UB3LYP/6-31G(2df) method. The structure and ground state... 详细信息

The possible geometries of Fe(HCN)n (n = 1～6) compounds were studied by using + DFT/UB3LYP/6-31G(2df) method. The structure and ground state of each fragmental ion are C∞v (4Σ+ or Σ ), D∞h (4Σg ), D3 (4A1 ), C2 or Td or C3v (4A1), and D3 (4A1 ) or C4 ( A1 ) sequentially 6 + + ′ ′ ′ 2 ′ h v h v with n = 1～5. For the compound Fe(HCN)6 , the possible geometry was not obtained. The + sequential incremental interaction energy (–?(?E)), dissociation energy (?D0), enthalpy (–?(?H)) and Gibbs free energy (–?(?G)), and frequencies for HCN-Fe(HCN)n + -1 were also calculated, and the results are all in good agreement with the experiments. The bond length of Fe–N is lengthened with the increase of cluster size, and the strength of Fe+–N coordination bond varies nonmon- tonically as increasing the number of ligands. The Fe+–N bond of Fe(HCN)2 is the strongest in all + compounds.

关键词： Fe(HCN)n (n = 1~6) compounds density functional theory natural bond orbital +

Targeting cholesterol trafficking to mitigate axonal degeneration in hereditary spastic paraplegia

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Neural Regeneration Research 2025年第5期20卷 1397-1398页

作者： Zhenyu Chen Xue-jun li Department of Biomedical Sciences University of Illinois College of Medicine RockfordRockfordILUSA Department of Bioengineering University of Illinois at ChicagoChicagoILUSA

Axonal degeneration underlies many debilitating diseases including hereditary spastic paraplegia(HSP),a genetically and clinically diverse group of disorders characterized by spasticity and weakness of the lower *** is one significant cause of chronic neurodisability due to the lack of effective treatments and a wide range of onset ages from early childhood to 70 years.

关键词： degeneration diseases hereditary

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Targets capture by distributed active swarms via bio-inspired reinforcement learning

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 210-221页

作者： Kun Xu Yue li jun Sun Shuyuan Du Xinpeng Di Yuguang Yang Bo li Institute of Biomechanics and Medical Engineering Applied Mechanics Laboratory Department of Engineering MechanicsTsinghua University Institute of Nuclear and New Energy Technology Tsinghua University Shanghai Aerospace Control Technology Institute Shanghai Key Laboratory of Aerospace Intelligent Control Technology College of Automation Engineering Nanjing University of Aeronautics and Astronautics

Natural swarms arranged from cells to herds are usually decentralized but display intriguing collective intelligence in coordinating individuals across large scales to efficiently achieve their common goals. Learning from nature may provide new strategies for controlling collective dynamics of synthetic swarms to accomplish specific functions. Here, we present a bioinspired computational framework that steers distributed active swarms to collectively capture and merge targets via reinforcement learning. We exploit collective milling structures of natural herds to cage the targets, and adopt a switching control policy inspired by sperms' chiral dynamics to optimize the trajectories of individuals, through which the active swarms can selforganize to enclose single or multiple distant targets in a dynamical, adaptive and scalable manner. There exists a critical swarm size, beyond which the excessive competition between agents would generate large mechanical forces, leading to capture instability but enabling the transition from short-distance to long-distance merging capture of multiple targets. This work provides physical insights into distributed active swarms and could offer a multilevel, decentralized strategy toward controlling swarm robotics in wide applications such as bio-medical devices, machine immunity, and target clearance.

关键词： swarm intelligence robotics multi-tasks artificial intelligence bionics

Single-cell omics: experimental workflow, data analyses and applications

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Science China life Sciences 2025年第1期68卷 5-102页

作者： Fengying Sun Haoyan li Dongqing Sun Shaliu Fu Lei Gu Xin Shao Qinqin Wang Xin Dong Bin Duan Feiyang Xing jun Wu Minmin Xiao Fangqing Zhao Jing-Dong J.Han Qi liu Xiaohui Fan Chen li Chenfei Wang Tieliu Shi Department of Clinical Laboratory the Affiliated Wuhu Hospital of East China Normal University (The Second People's Hospital of Wuhu City) Pharmaceutical Informatics Institute College of Pharmaceutical SciencesZhejiang University Key Laboratory of Spine and Spinal Cord Injury Repair and Regeneration (Tongji University) Ministry of EducationOrthopaedic DepartmentTongji HospitalBioinformatics DepartmentSchool of Life Sciences and TechnologyTongji University Frontier Science Center for Stem Cells School of Life Sciences and TechnologyTongji University Translational Medical Center for Stem Cell Therapy and Institute for Regenerative Medicine Shanghai East HospitalBioinformatics DepartmentSchool of Life Sciences and TechnologyTongji University Research Institute of Intelligent Computing Zhejiang Lab Shanghai Research Institute for Intelligent Autonomous Systems Center for Single-cell Omics School of Public HealthShanghai Jiao Tong University School of Medicine National Key Laboratory of Chinese Medicine Modernization Innovation Center of Yangtze River DeltaZhejiang University Center for Bioinformatics and Computational Biology Shanghai Key Laboratory of Regulatory Biologythe Institute of Biomedical Sciences and School of Life SciencesEast China Normal University Beijing Institutes of life Science Chinese Academy of Sciences Peking-Tsinghua Center for life Sciences Academy for Advanced Interdisciplinary StudiesCenter for Quantitative Biology (CQB)Peking University Zhejiang Key Laboratory of Precision Diagnosis and Therapy for Major Gynecological Diseases Women's HospitalZhejiang University School of Medicine Key Laboratory of Advanced Theory and Application in Statistics and Data Science-MOE School of StatisticsEast China Normal University

Cells are the fundamental units of biological systems and exhibit unique development trajectories and molecular features. Our exploration of how the genomes orchestrate the formation and maintenance of each cell, and control the cellular phenotypes of various organismsis, is both captivating and intricate. Since the inception of the first single-cell RNA technology, technologies related to single-cell sequencing have experienced rapid advancements in recent years. These technologies have expanded horizontally to include single-cell genome, epigenome,proteome, and metabolome, while vertically, they have progressed to integrate multiple omics data and incorporate additional information such as spatial sc RNA-seq and CRISPR screening. Single-cell omics represent a groundbreaking advancement in the biomedical field,offering profound insights into the understanding of complex diseases, including cancers. Here, we comprehensively summarize recent advances in single-cell omics technologies, with a specific focus on the methodology section. This overview aims to guide researchers in selecting appropriate methods for single-cell sequencing and related data analysis.

关键词： single-cell sequencing genome epigenome proteomics metabolomics multimodal spatial transcriptomics CRISPR screening

Effects of ultrasonic-assisted extraction on bioactive compounds,volatile flavors and antioxidant activities of vine tea water extracts

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Traditional Medicine Research 2025年第1期10卷 73-81页

作者： Xiao-Long Zhou Wei-Jin Jiang Ji Yu Mao-jun Yao Yun-Tong li Hunan Provincial Key Laboratory of Research Resource Mining and High-valued Utilization on Edible&Medicinal PlantCollege of Chemistry and Chemical EngineeringJishou UniversityJishou 416000China Hunan Gaoge Dairy Co. Ltd.Changsha 410000China

Background:Ampelopsis grossedentata,vine tea,which is the tea alternative beverages in *** vine tea processing,a large amount of broken tea is produced,which has low commercial ***:This study investigates the influence of different extraction methods(room temperature water extraction,boiling water extraction,ultrasonic-assisted room temperature water extraction,and ultrasonic-assisted boiling water extraction,referred to as room temperature water extraction(RE),boiling water extraction(BE),ultrasonic assistance at room temperature water extraction(URE),and ultrasonic assistance in boiling water extraction(UBE))on the yield,dihydromyricetin(DMY)content,free amino acid composition,volatile aroma components,and antioxidant properties of vine tea ***:A notable influence of extraction temperature on the yield of vine tea extracts(P<0.05),with BE yielding the highest at 43.13±0.26%,higher than that of RE(34.29±0.81%).Ultrasound-assisted extraction significantly increased the DMY content of the extracts(P<0.05),whereas DMY content in the RE extracts was 59.94±1.70%,that of URE reached 66.14±2.78%.Analysis revealed 17 amino acids,with L-serine and aspartic acid being the most abundant in the extracts,nevertheless ultrasound-assisted extraction reduced total free amino acid *** chromatography-mass spectrometry analysis demonstrated an increase in the diversity and quantity of compounds in the vine tea water extracts obtained through ultrasonic-assisted ***,69 and 68 volatile compounds were found in URE and UBE extracts,which were higher than the number found in RE and BE *** vitro,antioxidant activity assessments revealed varying antioxidant capacities among different extraction methods,with RE exhibiting the highest DPPH scavenging rate,URE leading in ABTS•+free radical scavenging,and BE demonstrating superior ferric ion reducing antioxidant ***:The findings suggest that extraction methods signi

关键词： vine tea dihydromyricetin ultrasonic-assisted extraction volatile aroma components

Integrating lipidomics and gut microbiota to study the anti-hyperlipidemia effect of Sargentodoxae Caulis extract

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Traditional Medicine Research 2025年第1期10卷 1-11页

作者： Xiao-Xiao Zhang li Jia Xiu-jun Zhan Charity Ngina Qing-Rui Zhang Xiao-Ge li Qi-Bao Jiang Shi Bai Miao-Miao Jiang National Key Laboratory of Chinese Medicine Modernization Tianjin University of Traditional Chinese MedicineTianjin 301617China Haihe Laboratory of Modern Chinese Medicine Tianjin 301617China School of Medicine Taizhou UniversityTaizhou 318000China.

Background:Sargentodoxae Caulis(SC)is the vine stem of Sargentodoxa Cuneata(Oliv.)Rehd.&*** in ***,and it in traditional Chinese medicine has been known for promoting blood circulation and removing blood stasis as recorded in the ancient book“Illustrated Classics of Materia Medica”.It has been used effectively to treat blood stasis too in modern clinical ***,the anti-hyperlipidemia effect of SC is not fully *** paper aims at exploring the use of SC stems to improve the balance of blood lipids in the body,and its new role in treating ***:The effects of SC extract on hyperlipidemia were explored by combining lipidomics and gut ***,we explored the potential mechanism of SC in treating hyperlipidemia by pathway ***:The results showed that the stem extract of SC could restore the physiological and biochemical indices of hyperlipidemia in mice,as well as repair the morphological and structural damage to *** to the Model group,the SC extract significantly reduced the liver index,epididymal fat index,and Lee’s *** also significantly decreased serum levels of total cholesterol,triglycerides,low-density lipoprotein cholesterol,peroxisome proliferator-activated receptor gamma(PPAR-γ),D-lactate,and free fatty acids,while significantly increasing the relative content of peroxisome proliferator-activated receptor alpha(PPAR-α).These changes were statistically ***-targeted lipidomics,based on LC-MS,were utilized to investigate the lipid metabolism characteristics in serum,liver,and epididymal fat of the *** was observed that,compared to the blank group,the Model group exhibited significant changes primarily in glycerol lipids and *** treatment group also displayed alterations in these lipids.A total of 38,81,and 27 differential lipids were identified in serum,liver,and epididymal fat samples,*** these,14 common differenti

关键词： hyperlipidemia Sargentodoxae Caulis lipidomics intestinal flora

Identification of a dual functional betulinic acid analog for the treatment of osteoarthritis by phenotypic screening

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Science China life Sciences 2025年第1期 300-302页

作者： Ze-Min lin Mai Xiang Wen-Hui Wei Shu-Hui Fan li Chen Jie Wang Xiao-Qian Yang Chun-Hao Yang Shi-jun He Jian-Ping Zuo Laboratory of Immunopharmacology State Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of Sciences School of Pharmacy University of Chinese Academy of Sciences School of Pharmacy Nanjing University of Chinese Medicine State Key Laboratory of Drug Research Department of Medicinal ChemistryShanghai Institute of Materia MedicaChinese Academy of Sciences Innovation Research Institute of Traditional Chinese Medicine Shanghai University of Traditional Chinese Medicine Experiment Center for Science and Technology Shanghai University of Traditional Chinese Medicine

Dear Editor, Phenotypic drug discovery, which observes compound effects on physiology,has given way to targeting specific molecules, but has revived by using modern methods to find drugs based on therapeutic outcomes in disease models(Vincent et al., 2022). Osteoarthritis(OA) is a prevalent chronic joint disorder, primarily affecting knee joints, with osteoclast activation due to low-grade inflammation resulting in increased bone resorption and structural changes in the joint(Katz et al.,2021).

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The Mechanism of Heating Rate on the Secondary Recrystallization Evolution in Grain Oriented Silicon Steel

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期 275-282页

作者：高倩 li jun WANG Xianhui CAO Laifu GONG Jian li Bo Central Iron and Steel Research Institute Group Shougang Zhixin Electromagnetic Material R&D (Beijing) Co. Ltd. Beijing Shougang Co. Ltd.

Grain-oriented silicon steels were prepared at different heating rates during high temperature annealing, in which the evolution of magnetic properties, grain orientations and precipitates were studied. To illustrate the Zener factor, the diameter and number density of precipitates of interrupted testing samples were statistically calculated. The effect of precipitate ripening on the Goss texture and magnetic property was investigated. Data indicated that the trend of Zener factor was similar under different heating rates, first increasing and then decreasing, and that the precipitate maturing was greatly inhibited as the heating rate increased. Secondary recrystallization was developed at the temperature of 1 010 ℃ when a heating rate of 5 ℃/h was used, resulting in Goss, Brass and {110} oriented grains growing abnormally and a magnetic induction intensity of 1.90T. Furthermore, increasing the heating rate to 20 ℃/h would inhibit the development of undesirable oriented grains and obtain a sharp Goss texture. However, when the heating rate was extremely fast, such as 40 ℃/h, poor secondary recrystallization was developed with many island grains, corresponding to a decrease in magnetic induction intensity to 1.87 T. At a suitable heating rate of 20 ℃/h, the sharpest Goss texture and the highest magnetic induction of 1.94 T with an onset secondary recrystallization temperature of 1 020 ℃ were found among the experimental variables in this study. The heating rate affected the initial temperature of secondary recrystallization by controlling the maturation of precipitates, leading to the deviation and dispersion of Goss texture, thereby reducing the magnetic properties.

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Is it possible to foot reflexology for infants with sensorineural hearing loss?

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World Journal of Clinical Cases 2025年第2期13卷 1-4页

作者： Min Ai Hang-Hang Zhang jun-Bang Feng Chuan-Ming li Wen-Jing Wang Meng-Die Hu Department of Anesthesiology Nanan District People's Hospital of ChongqingChongqing 400060China Department of Breast and Thyroid Surgery Chongqing Bishan District Maternal and Child Health Care HospitalChongqing 402760China Department of Medical Imaging Chongqing University Central HospitalChongqing 400014China

Foot reflexology is a non-invasive and safe complementary therapy that works by massaging the reflex zones of the feet and exerts systemic or whole-body regulation through meridian nerve *** therapy is commonly used in the treatment of various conditions such as autism and Parkinson's ***,there is limited reporting on the use of foot reflexology therapy for infants with sensorineural hearing loss(SNHL).Currently,there is no definitive conclusion on how foot reflexology therapy can influence *** editorial holds some guiding significance regarding this clinical *** aim is to present physiological evidence of how foot reflexology therapy can impact infants with SNHL,thereby enhancing clinician’s awareness of foot reflexology in treating infants with SNHL.

关键词： Foot reflexology Sensorineural Hearing Loss Future perspectives limitations Neural conduction