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BL03HB: a Laue microdiffraction beamline for both protein crystallography and materials science at SSRF

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Nuclear Science and Techniques 2024年第7期35卷 68-78页

作者： Zhi-Jun wang Si-Sheng wang Zheng-Huang Su Li Yu Yu-Zhu wang Bo Sun Wen Wen xing-Yu Gao Shanghai Advanced Research Institute Chinese Academy of SciencesShanghai201210China University of Chinese Academy of Science Beijing100049China

A Laue microdiffraction beamline(BL03HB) was constructed at the Shanghai Synchrotron Radiation Facility(SSRF).This beamline features two consecutive focusing points in two different sectors within its end station, the first dedicated to protein crystallography and the other tailored to materials science applications. Based on a superbend dipole magnet with a magnetic field of 2.29 T, a two-stage focusing design was implemented with two sets of Kirkpatrick-Baez mirrors to achieve a micro white beam as small as 4.2 μ m ×4.3 μ m at the first sector and 0.9 μ m ×1.3 μ m at the second sector in the standard beamline operation mode at SSRF. The X-ray microbeam in the two sectors can be easily switched between monochromatic and white beams by moving a four-bounce monochromator in or out of the light path, respectively. In the protein crystallography sector, white-beam Laue microdiffraction was demonstrated to successfully determine the structure of protein crystals from only a few images of diffraction data collected by a Pilatus 2 M area detector. In the materials science sector,the white-beam Laue diffraction was collected in a reflection geometry using another Pilatus 2 M area detector, which could map the microstructural distribution on the sample surface by scanning the samples. In general, the BL03HB beamline promotes the application of Laue microdiffraction in both protein crystallography and materials science. This paper presents a comprehensive overview of the BL03HB beamline, end station, and the first commission results.

关键词： Crystallography White-beam Laue microdiffraction Beamline Synchrotron

Effects of galactooligosaccharide glycation on the functional properties of soy protein isolate and its application in noodles

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Grain & Oil Science and Technology 2024年第3期7卷 159-167页

作者： Meiyue wang Guanhao Bu Yufei xing Mengke Ren Yang wang Yijing Xie College of Food Science and Engineering Henan University of TechnologyZhengzhou 450001China

Soybean protein has high nutritional value, but its functional properties are easily affected by external factors,which limits its application in food industry. In the study, soybean protein isolate(SPI) was modified by dry heat glycation of galactooligosaccharides(GOS). The gel properties, antioxidant properties and structural changes of SPI-GOS conjugates were investigated. The application of SPI-GOS conjugates in noodles was also explored. The results observed that the glycation degree of SPI increased with the increasing reaction time. SDS-PAGE and spectral analysis showed the changes of spatial conformation of SPI after glycation. The antioxidant activity of SPI increased after glycation and DPPH radical scavenging activity of SPI-GOS peaked at 48 h of reaction. The hardness, elasticity and resilience of soybean protein gel reached their relative maximum at 48 h, 48 h and 12 h of glycation reaction, respectively. Moreover, the appropriate addition of glycated SPI improved the quality of noodles. The noodles with 4% addition of SPI-GOS had higher hardness, elasticity and tensile properties. This study will provide an effective method to modify soybean protein and expand the use of soybean protein in food industry.

关键词： Soy protein isolate Glycation Galactooligosaccharide Functional properties Noodles

Unimolecular Self-Assembled Hemicyanine-Oleic Acid Conjugate Acts as a Novel Succinate Dehydrogenase Inhibitor to Amplify Photodynamic Therapy and Eliminate Cancer Stem cells

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Research 2024年第2期6卷 449-461页

作者： Qiang wang Tian Yang Shiyou Li Chen Xu Chong wang Yuxuan Xiong xing wang Jiangling Wan Xiangliang Yang Zifu Li National Engineering Research center for Nanomedicine College of Life Science and Technology.Huazhong University of Science and TechnologyWuhan 430074P.R.China Key Laboratory of Molecular Biophysics of Ministry of Education College of Life Science and TechnologyHuazhong University of Science and TechnologyWuhan 430074P.R.China .3Hubei Key Laboratory of Bioinorganic Chemistry and Materia Medical Huazhong University of Science and TechnologyWuhan 430074P.R.China Hubei Engineering Research center for Biomaterials and Medical Protective Materials Huazhong University of Science and TechnologyWuhan 430074P.R.China Hubei Bioinformatics and Molecular Imaging Key Laboratory College of Life Science and TechnologyHuazhong University of Science and TechnologyWuhan 430074P.R.China

Photodynamic therapy with reactive oxygen species production is a prospective treatment to combat cancer stem cells(CSCs).However,the innate drawbacks,including short lifetime and diffusion distance of reactive oxygen species and hypoxia within solid tumors,have become bottlenecks for clinical applications of photodynamic ***,we develop a mitochondria-targeting hemicyanine-oleic acid conjugate(CyOA),which can self-assemble into supramolecular nanoparticles(NPs)without any exogenous *** is also shown for targeting the mitochondrial complex II protein succinate dehydrogenase to inhibit oxidative phosphorylation and reverse tumor hypoxia,resulting in 50.4-fold higher phototoxicity against breast cancer stem cells(BCSCs)compared to SO_(3)-CyOA NPs that cannot target to *** 4T1 and BCSC tumor models,CyOA NPs achieve higher tumor inhibition and less lung metastasis nodules compared to the clinically used photosensitizer *** study develops a self-assembled small molecule that can serve as both oxidative phosphorylation inhibitor and photosensitizer for eradication of CSCs and treatment of solid tumors.

关键词： cyanine oxidative treatment

The Complete Classification of Graphs whose Second Largest Eigenvalue of the Eccentricity Matrix is Less Than 1

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Acta Mathematica Sinica,English Series 2024年第7期40卷 1741-1766页

作者： Jian Feng wang xing Yu LEI Shu Chao LI Zoran STANIC School of Mathematics and Statistics Shandong University of TechnologyZibo255049P.R.China Faculty of Mathematics and Statistics Central China Normal UniversityWuhan430079P.R.China Faculty of Mathematics University of BelgradeStudentski trg 1611000BelgradeSerbia

The eccentricity matrix of a graph is obtained from the distance matrix by keeping the entries that are largest in their row or column,and replacing the remaining entries by *** matrix can be interpreted as an opposite to the adjacency matrix,which is on the contrary obtained from the distance matrix by keeping only the entries equal to *** the paper,we determine graphs having the second largest eigenvalue of eccentricity matrix less than 1.

关键词： Eccentricity matrix eigenvalue diameter principal submatrix forbidden subgraph

AquaticTox:A Web-Based Tool for Aquatic Toxicity Evaluation Based on Ensemble Learning to Facilitate the Screening of Green Chemicals

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Environment & Health 2024年第4期2卷 202-211页

作者： xing-xing Shi Zhi-Zheng wang Yu-Liang wang Fan wang Guang-Fu Yang National Key Laboratory of Green Pesticide Central China Normal UniversityWuhan 430079China

The widespread use of chemical products inevitably brings many side effects as environmental *** assessment of compounds to aquatic life plays an important role in protecting the environment from their ***,in vivo animal testing approaches for aquatic toxicity evaluation are timeconsuming,expensive,and ethically limited,especially when there are a great number of *** silico modeling methods can effectively improve the toxicity evaluation efficiency and save ***,we present a web-based server,AquaticTox,which incorporates a series of ensemble models to predict acute toxicity of organic compounds in aquatic organisms,covering Oncorhynchus mykiss,Pimephales promelas,Daphnia magna,Pseudokirchneriella subcapitata,and Tetrahymena *** predictive models are built through ensemble learning algorithms based on six base *** ensemble models outperform all corresponding single models,achieving area under the curve(AUC)scores of 0.75−*** to the best single models,the average precisions of the ensemble models have been increased by 12−22%.Additionally,a self-built knowledge base of the structure-aquatic toxic mode of action(MOA)relationship was integrated into AquaticTox for toxicity mechanism ***,the user-friendly tool(https://***/ccb/server/AquaticTox);could facilitate the identification of aquatic toxic chemicals and the design of green molecules.

关键词： ecotoxicity aquatic toxicity water environment protection toxicity prediction structure−toxicity relationship deep learning

Aspartoacylase suppresses prostate cancer progression by blocking LYN activation

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Military Medical Research 2024年第2期11卷 180-205页

作者： Hong Weng Kang-Ping Xiong wang wang Kai-Yu Qian Shuai Yuan Gang wang Fang Yu Jun Luo Meng‑Xin Lu Zhong‑Hua Yang Tao Liu xing Huang Hang Zheng xing-Huan wang Department of Urology Zhongnan Hospital of Wuhan UniversityWuhan 430071China center for Evidence‑Based and Translational Medicine Zhongnan Hospital of Wuhan UniversityWuhan 430071China Department of Biological Repositories Zhongnan Hospital of Wuhan UniversityWuhan 430071China Hubei Key Laboratory of Tumor Biological Behaviors Wuhan 430071China Department of Pathology Zhongnan Hospital of Wuhan UniversityWuhan 430071China center for Pathology and Molecular Diagnostics Wuhan UniversityWuhan 430071China Wuhan Research center for Infectious Diseases and Cancer Chinese Academy of Medical SciencesWuhan 430071China

Background:Globally,despite prostate cancer(PCa)representing second most prevalent malignancy in male,the precise molecular mechanisms implicated in its pathogenesis remain ***,elucidating the key molecular regulators that govern disease progression could substantially contribute to the establishment of novel therapeutic strategies,ultimately advancing the management of ***:A total of 49 PCa tissues and 43 adjacent normal tissues were collected from January 2017 to December 2021 at Zhongnan Hospital of Wuhan *** advanced transcriptomic methodologies were employed to identify differentially expressed mRNAs in *** expression of aspartoacylase(ASPA)in PCa was thoroughly evaluated using quantitative real-time PCR and Western blotting *** elucidate the inhibitory role of ASPA in PCa cell proliferation and metastasis,a comprehensive set of in vitro and in vivo assays were conducted,including orthotopic and tumor-bearing mouse models(n=8 for each group).A combination of experimental approaches,such as Western blotting,luciferase assays,immunoprecipitation assays,mass spectrometry,glutathione S-transferase pulldown experiments,and rescue studies,were employed to investigate the underlying molecular mechanisms of ASPA's action in *** Student‘s t-test was employed to assess the statistical significance between two distinct groups,while one-way analysis of variance was utilized for comparisons involving more than two groups.A two-sided Pcement of PCa cell proliferation,mig

关键词： Prostate cancer Aspartoacylase LYN JNK AP-1 C-Jun Phosphorylation

Polyoxometalate as the assembly material to self-assembled Ni(OH)_(2) nanosheets with electrocatalytic performance

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Nano Research 2024年第8期17卷 7061-7067页

作者： Danyang He Tianyang Li Luozhen Jiang Fei wang Zihao xing Nan wang Zhiyu Jia Guo-Yu Yang Key Laboratory of Cluster Science Ministry of EducationSchool of Chemistry and Chemical EngineeringBeijing Institute of TechnologyBeijing 100081China Shanghai Advanced Research Institute Chinese Academy of ScienceShanghai 201210China Key Laboratory of Polyoxometalate and Reticular Material Chemistry of Ministry of Education Facluty of ChemistryNortheast Normal UniversityChangchun 130024China

Developing non-noble metal-based electrocatalyst with high catalytic activity is essential for advancing hydrogen energy *** study introduces a hydrothermal method for synthesizing order Ni(OH)_(2) nanosheets,with H_(3)O_(40)PW_(12)(denoted as PW_(12))loaded onto reduced graphene oxide(rGO)coated on nickel foam(referred to as PW_(12)-Ni(OH)_(2)/rGO).This method contrasts with the electrodeposition of Ni(OH)_(2),where PW_(12) is added to the synthetic system to direct the assembly and morphology of the Ni(OH)_(2) through a hydrothermal *** this work,the nickel foam acts dual roles as both the substrate and the source of nickel for the formation of Ni(OH)_(2).The PW_(12)-Ni(OH)_(2)/rGO nanosheets,when successfully prepared and loaded onto the nickel foam(NF),exhibited superior electrocatalytic activity for the hydrogen evolution reaction(HER)in an alkaline electrolyte,achieving a current density of 10 mA·cm^(-2) at an overpotential of 69 ***,we endeavored to expand the application of this material towards the oxygen evolution reaction(OER)by preparing PW_(12)-(Fe/Co)Ni(OH)_(2)/rGO through the addition of metal *** nanocomposite displayed outstanding electrocatalytic activity in alkaline electrolytes,with a current density of 10 mA·cm^(-2)at an overpotential of 211 mV,and demonstrated excellent stability over a 50 h period in a 1 M KOH *** results presented in this paper offer an effective strategy for the preparation of polyoxometalate-based inorganic materials with diverse functionalities,applicable to both HER and OER.

关键词： polyoxometalate Ni(OH)_(2) assembly hydrogen evolution reaction oxygen evolution reaction

Superhydrophilic nickel hydroxide ultrathin nanosheets enable high-performance asymmetric supercapacitors

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Rare Metals 2024年第1期43卷 138-147页

作者： Yi-Ran wang Fei Zhang Jian-Min Gu Xiao-Yu Zhao Ran Zhao xing wang Tian-Hui Wu Jing wang Ji-Dong wang De-Song wang State Key Laboratory of Metastable Materials Science and Technology(MMST) Hebei Key Laboratory of Applied ChemistryYanshan UniversityQinhuangdao 066004China Department of Food and Pharmaceutical Engineering Suihua UniversitySuihua 152000China School of Chemical Science and Engineering Tongji UniversityShanghai 200092China School of Sciences Hebei University of Science and TechnologyShijiazhuang 050018China

Superhydrophilic surfaces have been applied for supercapacitor;however,during energy storage reaction,how the wettability affects the process of electrochemical reaction specifically is still ***,we demonstrate superhydrophilic surface for promotion of electrochemical reactions by liquid affinity and further explain the mechanism,where the transition of the wettability state caused by the change in surface free energy is the main reason for the obvious increase in specific *** citric acid assistance strategy,an intrinsically hydrophobic Ni(OH)_(2)thick nanosheets(HNHTNs,16 nm)can be transitioned into superhydrophilic Ni(OH)_(2)ultrathin nanosheets(SNHUNs,6.8 nm),where the water contact angle was 0°and the surface free energy increased from 8.6to 65.8 mN·m^(-1),implying *** with HNHTNs,the specific capacitance of SNHUNs is doubled:from 1230 F·g^(-1)(HNHTNs)to 2350 F·g^(-1)(2A·g^(-1))and,even at 20 A·g^(-1),from 833 F·g^(-1)(HNHTNs)to 1670 F·g^(-1).The asymmetric capacitors assembled by SNHUNs and activated carbon show 52.44 Wh·kg^(-1)at 160W·kg^(-1)and excellent stability with~90%retention after5000 cycles(~80%retention after 9500 cycles).The promotion of electrochemical performances is ascribed to the change of surface wettability caused by surface free energy,which greatly increase affinity of electrode to the surrounding liquid environment to reduce the interface resistance and optimize the electron transport path.

关键词： Asymmetric supercapacitor Superhydrophilic interface Transition metal hydroxides Ultrathin nanosheets High specific capacitance

Artificial Intelligence and Network Pharmacology Reveal the Medication Rules of Professor wang Yu-Ying in the Treatment of Climacteric Syndrome

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World Journal of Traditional Chinese Medicine 2024年第2期10卷 180-190页

作者： Meng-Yuan Hu Tian-xing Yi Qi-Rui Liu Xin-Yu Zhang Ai-Ping Chen Yu-Ying wang Yi Lu School of Traditional Chinese Medicine Beijing University of Chinese MedicineBeijingChina

Objective: The objective of this study was to explore the medication rules and academic ideas of Professor wang Yu-Ying in the treatment of climacteric syndrome(CLS) and to predict new prescriptions. Materials and Methods: The characteristics of frequency, clustering, four properties, and five flavors were analyzed, and new prescriptions were predicted through an artificial intelligence(AI)-based method. The potential pathways of new prescriptions were explored through network pharmacology-based analysis. Results: The top 16 medicinals used by Professor wang Yu-Ying in the treatment of CLS included Danggui, Longgu, Muli, Fuling, Chuanxiong, Gancao, Xiangfu, and Tusizi. The AI method was applied to predict the basic prescription for treating CLS: Danggui 15 g, Duanlonggu 30 g, Duanmuli 30 g, Fuling 28 g, Chuanxiong 10 g, Gancao 6 g, Xiangfu 12 g, Tusizi 14 g, etc., Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses showed that the pathogenesis of CLS might be related to the estrogen pathway, involving typical steroid responses. Conclusions: This study summarized Professor wang's medication experience in the treatment of CLS based on the data mining of clinical diagnoses and treatment cases. The AI method was used to predict the new prescription of CLS treatment, which was found to be reasonable by network pharmacology studies on its multi-target and multi-pathway mechanisms.

关键词： Artificial intelligence climacteric syndrome medication rules network pharmacology Professor wang Yu-Ying