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Intelligent design and construction of novel APN-based theranostic probe driven by advanced computational methods

Chinese Chemical Letters 2024年第2期35卷 352-357页

作者： Yingli Zhu jie Qian Kunqian Yu Jing Hou Yeshuo Ma Fei chen jie Dong Wenbin Zeng Xiangya School of Pharmaceutical Sciences Central South UniversityChangsha 410083China National Engineering Research Center of Rice and Byproduct Deep Processing School of Food Science and EngineeringCentral South University of Forestry and TechnologyChangsha 410004China State Key Laboratory of Drug Research Drug Discovery and Design CenterShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Department of Geriatrics Third Xiangya HospitalCentral South UniversityChangsha 410013China

Multifunctional molecules with both optical signal and pharmacological activity play an important role in drug development,disease diagnosis,and basic theoretical *** N(APN),as a representative tumor biomarker with anti-tumor potential,still lacks a high-precision theranostic probe specifically targeting *** this study,a novel quaternity design strategy for APN theranostic probe was *** proposed strategy utilizes advanced machine learning and molecular dynamics simulations,and cleverly employs the strategy of conformation-induced fluorescence recovery to achieve multi-objective optimization and integration of functional *** this strategy,a unique“Off-On”theranostic probe,ABTP-DPTB,was ingeniously constructed to light up APN through fluorescence restoration,relying on conformation-induced effects and solvent *** from the common diagnostic probes,the intelligent design with non-substrated linkage makes ABTP-DPTB for long-term in-situ *** fabricated probe was used for detecting and inhibiting APN in various environments,with a better in vitro inhibitory than golden-standard drug bestatin.

关键词： Theranostic probe Artificial intelligence Conformational restriction Fluorescence restoration Design strategy

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破产程序与执行程序的冲突及其协调

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厦门大学学报（哲学社会科学版） 2007年第3期57卷 107-113页

作者：齐树洁陈洪杰厦门大学法学院福建厦门361005

在我国司法实践中,破产程序与执行程序之间存在显性与隐性两种冲突。现行立法处理显性冲突的基本原则是破产程序优先于执行程序,但在司法实践中,债权的性质各不相同,对此应针对具体问题作具体分析。在发生隐性冲突的场合,则应区分被执... 详细信息

在我国司法实践中,破产程序与执行程序之间存在显性与隐性两种冲突。现行立法处理显性冲突的基本原则是破产程序优先于执行程序,但在司法实践中,债权的性质各不相同,对此应针对具体问题作具体分析。在发生隐性冲突的场合,则应区分被执行人为法人和非法人的不同情况予以协调。

关键词：企业破产法破产程序执行程序

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Amorphous electrocatalysts for urea oxidation reaction

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Progress in Natural Science:Materials International 2024年第2期34卷 362-375页

作者： Fenghui Guo Dongle cheng Qian chen Hao Liu Zhiliang Wu Ning Han Bing-jie Ni Zhijie chen School of Materials Science and Technology China University of Geosciences Shenzhen Academy of Metrology and Quality Inspection Centre for Technology in Water and Wastewater School of Civil and Environmental Engineering University of Technology Sydney College of Safety and Environmental Engineering Shandong University of Science and Technology Institute of Yellow River Delta Earth Surface Processes and Ecological Integrity Shandong University of Science and Technology Discipline of Chemical Engineering Western Australian School of Mines: Minerals Energy and Chemical Engineering Curtin University Department of Materials Engineering School of Civil and Environmental Engineering The University of New South Wales

Electrochemical urea oxidation reaction(UOR) is a promising alternative to oxygen evolution reaction(OER) for realizing energy-saving hydrogen production. Developing efficient electrocatalysts for UOR becomes a central challenge. Recently, amorphous materials have been extensively used as UOR catalysts because of their numerous defective sites and flexible electronic properties. In this review, recent advancements in the development of amorphous UOR electrocatalysts are analyzed. The UOR mechanism is discussed, and the design of amorphous catalysts is then analyzed. The main catalyst design strategies are illustrated, including nanostructure control,heteroatom doping, composition regulation, and heterostructure construction. Also, electrocatalysts' structureperformance correlation is interpreted. Perspectives in this field are proposed for guiding future studies on the development of high-performance amorphous catalysts towards energy sustainability.

关键词： Catalyst design Hydrogen energy Heterostructures Heteroatom doping Component regulation

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Resolving the geometric structure of trastuzumab by mobility capillary electrophoresis and native mass spectrometry

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Chinese Chemical Letters 2024年第3期35卷 221-225页

作者： Wenjing Zhang jie hong Lei Yang Zuqiang Xu Yu Xiang Wei Xu School of Life Science Beijing Institute of TechnologyBeijing 100081China

Available online Immunoglobulins G(IgGs)are Y-shaped globular proteins,however,their high flexibility and heterogeneity pose great challenges to their structure and conformation *** structure of IgG closely correlates to its biofunctions,such as the antibody escape of human immunodeficiency virus(HIV)could attribute to the distance mismatch between the ends of two Fab arms(antigen-binding sites)and envelope glycoprotein spikes on virion ***,we report the first use of mobility capillary electrophoresis(MCE)and native mass spectrometry(nMS)to resolve the internal geometric structure and conformation of an IgG(trastuzumab)in solution *** proteolysis,the ellipsoid dimensions of IgG and its subunits were measured by MCE-nMS *** was then reconstructed,in which the sizes and relative positions of these three subunits in three-dimensional space were *** was found that the two Fab arms have an angle of~102.1°and a distance of~11.0 nm between the two antigen-binding sites under native condition,and the Fc arm was tilted~16.0°towards one of the Fab *** was not on the plane of Fab-Fab,but has an angle of no larger than 103.1°.Under acidic environment(pH 3.0),each subunit of the IgG would unfold into larger dimensions,and the angles between these subunits also *** great potential for tumor imaging and therapy,the structure of F(ab')_(2)fragments was also measured and validated by molecular dynamic *** was found that the electrostatic force among these three subunits and steric hindrance stemming from Fc help maintaining the angle between two Fab arms.

关键词： Native mass spectrometry Mobility capillary electrophoresis Trastuzumab Protein structure Geometric structure

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Influence of Heat-setting Temperature on the Microporous Structure and Properties of PP/HDPE Bilayer Microporous Membranes

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Chinese Journal of Polymer Science 2024年第8期42卷 1243-1252页

作者： jie Xie Yong-Shi Wu Jia-Yi Xie Rui-jie Xu Cai-hong Lei Sai-Nan Song Guang-Quan Li An-Ping Huang School of Materials and Energy Guangdong University of TechnologyGuangzhou 510006China Lanzhou Petrochemical Research Center Petrochemical Research InsititutePetroChinaLanzhou 730060China School of Chemistry and Civil Engineering Shaoguan CollegeShaoguan 512005China

Due to the mechanical stability of PP layer,the PP/HDPE double-layer microporous mem brane could be prepared at a higher heat-setting temperatu re than that of PE monolayer *** this work,the effects of heat-setting temperature on the pore structure and properties of PP/HDPE dou ble-layer membrane were *** the increase of heat-setting temperature from 120℃to 130℃,the length of connecting bridge crystal and crystallinity in the PE layer increase due to the melting of thin lamellae and the stability of connecting bridge structure during *** corresponding air permeability,po rosity,wetta bility of liquid electrolyte and mechanical property of the heat-set microporous membrane increase,exhibiting better electrochemical ***,when the heat-setting temperature is further increased to 140℃,higher than the melting point of PE resin,some pores are closed since the lamellae and connecting bridges melt and shrink during heat-setting,resulting in a decrease of air permeability and *** contrast,there is negligible change in the PP layer within the above heat-setting temperature *** study successfully builds the relationship between the stable pore structure and property of microporous membrane during heat-setting,which is helpful to guide the production of high-pe rformance PP/PE/PP lithium batteries separator.

关键词： PP/HDPE bilayer microporous membranes Heat-setting temperature SAXS

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Correlation between postoperative chemotherapy regimen and survival in patients with resectable gastric adenocarcinoma accompanied with vascular cancer thrombus

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World Journal of Gastrointestinal Surgery 2024年第6期16卷 1618-1628页

作者： Ze-Feng Yang Zhuan-Xia Dong chen-jie Dai Li-Zheng Fu hong-Mei Yu Yu-Sheng Wang Department of Health Statistics School of Public HealthShanxi Medical UniversityTaiyuan 030001Shanxi ProvinceChina Shanxi Medical University Taiyuan 030001Shanxi ProvinceChina Shanxi Provincial Key Laboratory of Major Diseases Risk Assessment Taiyuan 030001Shanxi ProvinceChina MOE Key Laboratory of Coal Environmental Pathogenicity and Prevention Shanxi Medical UniversityTaiyuan 030001Shanxi ProvinceChina Department of Oncology Digestive The First Hospital of Shanxi Medical UniversityTaiyuan 030001Shanxi ProvinceChina Department of Digestive Oncology Shanxi Province Cancer Hospital/Shanxi Hospital Affiliated to Cancer HospitalChinese Academy of Medical Sciences/Cancer Hospital Affiliated to Shanxi Medical UniversityTaiyuan 030001Shanxi ProvinceChina

BACKGROUND Patients with resectable gastric adenocarcinoma accompanied by vascular cancer thrombus(RGAVCT)have a poor prognosis,with a 5-year survival rate ranging from 18.42%-53.57%.These patients need a reasonable postoperative treatment plan to improve their *** To determine the most effective postoperative chemotherapy regimen for patients with *** We retrospectively collected the clinicopathological data of 530 patients who un-derwent radical resection for gastric cancer between January 2017 and January 2022 and who were pathologically diagnosed with gastric adenocarcinoma with a choroidal cancer ***-thermore,we identified the high-risk variables that can influence the prognosis of patients with RGAVCT by asse-ssing the clinical and pathological features of the patients who met the inclusion *** also assessed the significance of survival outcomes using Mantel-Cox univariate and multivariate *** subgroups of pa-tients with stages Ⅰ,Ⅱ,and Ⅲ disease who received single-,dual-,or triple-drug regimens following surgery were analyzed using SPSS 25.0 and the ggplot2 package in R *** In all,530 eligible individuals with RGAVCT were enrolled in this *** median overall survival(OS)of patients with RGAVCT was 24 months,and the survival rates were 80.2%,62.5%,and 42.3%at 12,24,and 59 months,*** complications,tumor size,T stage,and postoperative chemotherapy were identified as independent factors that influenced OS in patients with RGAVCT according to the Cox multivariate analysis model.A Kaplan-Meier analysis revealed that chemotherapy had no effect on OS of patients with stage Ⅰ or Ⅱ RGAVCT;however,chemotherapy did have an effect on OS of stage Ⅲ *** Ⅲ patients who were treated with chemotherapy consisting of dual-or triple-agent regimens had better survival than those treated with single-agent regimens,and no significant difference was observed in the survival of patients treat

关键词： Vascular cancer embolism Postoperative chemotherapy regimen Gastric adenocarcinoma Risk factors Survival

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Anti-inflammatory effect of methoxyphenamine compound in rat model of chronic obstructive pulmonary disease

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Acta Pharmacologica Sinica 2003年第12期24卷 150-153页

作者： WANG Yue-hong, BAI Chun-Xue~1, hong Qun-Ying, chen jie Department of Respiratoo, Medicine, Zhongshan Hospital, Fudan University, Shanghai 200032, China Department of Respiratory Medicine Zhongshan Hospital Fudan University 上海 200032

AIM: To evaluate the anti-inflammatory effect of methoxyphenamine compound (MC) on chronic obstructive pulmonary disease (COPD) in rats by measurement of proinflammatory cytokines, total and differential white cell counts (WCC) of bronchroalveolar lavage fluid (BALF). METHODS: Adult rat model of COPD (COPD group) was induced by intratracheal instillation of lipopolysaccharides and exposure to cigarette smoke. Treatment groups received different dosage of MC (3, 9, and 27 mg daily, MC group) or prednisone (0.25 mg daily, P group) respectively. Tumor necrosis factor alpha (TNF-α), interleukin 1beta (IL-113), interleukin-6 (IL-6), transforming growth factor β (TGF-β) of BALF were determined by ELISA. Total and differential WCC were performed after Giemsa staining. RESULTS: The levels of TNF-α, IL-1β, IL-6, TGF-β, total and differential WCC in BALF of MC groups were significantly decreased than that of COPD group (P<0.01), and there was no significant difference among MC groups. There was no significa

关键词： methoxyphenamine compound tumor necrosis factor interleukin-1 chronic obstructive pulmonary disease

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Dynamic changes in physicochemical property,biogenic amines content and microbial diversity during the fermentation of Sanchuan ham

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Food Science and Human Wellness 2024年第1期13卷 506-516页

作者： Zhongai chen hong chen Huan Du Cong chen Kaixiang Lu Qiaoli Xue Yongjin Hu College of Food Science and Technology Yunnan Agricultural UniversityKunming 650000China Institute of Food Processing Guizhou Academy of Agricultural SciencesGuiyang 550006China Editorial Department of Journal of Yunnan Agricultural University Yunnan Agricultural UniversityKunming 650000China

Sanchuan ham is appreciated in Yunnan Province,China,for its characteristic flavor and taste,while the microbial community structure and biogenic amines content remain unclear during fermentation *** this study,we explored the physicochemical property,biogenic amines concentration and microbial diversity of external and internal Sanchuan ham by high-throughput sequencing during the processing of Sanchuan *** showed that the nitrite remained at a stable level of 0.15 mg/kg which was significantly lower than the national health standard safety level of 20 mg/*** addition,compared with fresh hams,the content of total free amino acids in ripe Sanchuan ham has grown 14 folds;sour and bitter were the main tastes of Sanchuan ***,the concentration of cadaverine was the highest of all biogenic amines during the entire fermentation *** the bacterial phyla level,Firmicutes and Actinobacteria were the two main phyla,while at the genus level,Staphylococcus was a significant strain throughout the whole ***,the dry stage has a great impact on the succession change of microbial community ***,the change trends and composition of bacteria in the interior have slight discrepancies with those of the exterior of Sanchuan ham.

关键词： Sanchuan ham Nitrite cont ent Free amino acids Cadaverine Staphylococcus

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Quantitative prediction model for the depth limit of oil accumulation in the deep carbonate rocks:A case study of Lower Ordovician in Tazhong area of Tarim Basin

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Petroleum Science 2024年第1期21卷 115-124页

作者： Wen-Yang Wang Xiong-Qi Pang Ya-Ping Wang Zhang-Xin chen Fu-jie Jiang Ying chen State Key Laboratory of Lithospheric Evolution Institute of Geology and GeophysicsChinese Academy of SciencesBeijing100029China State Key Laboratory of Petroleum Resources and Prospecting China University of Petroleum(Beijing)Beijing102249China College of Geosciences China University of Petroleum(Beijing)Beijing102249China Research Institute of Exploration and Development PetroChina Southwest Oil&Gas Field CompanyChengdu610041SichuanChina Chemical and Petroleum Engineering Schulich School of EngineeringUniversity of CalgaryCalgaryT2N 1N4Canada

With continuous hydrocarbon exploration extending to deeper basins,the deepest industrial oil accumulation was discovered below 8,200 m,revealing a new exploration ***,the extent to which oil exploration can be extended,and the prediction of the depth limit of oil accumulation(DLOA),are issues that have attracted significant attention in petroleum *** it is difficult to characterize the evolution of the physical properties of the marine carbonate reservoir with burial depth,and the deepest drilling still cannot reach the ***,the DLOA cannot be predicted by directly establishing the relationship between the ratio of drilling to the dry layer and the *** this study,by establishing the relationships between the porosity and the depth and dry layer ratio of the carbonate reservoir,the relationships between the depth and dry layer ratio were obtained *** depth corresponding to a dry layer ratio of 100%is the *** on this,a quantitative prediction model for the DLOA was finally *** results indicate that the porosity of the carbonate reservoir,Lower Ordovician in Tazhong area of Tarim Basin,tends to decrease with burial depth,and manifests as an overall low porosity reservoir in deep *** critical porosity of the DLOA was 1.8%,which is the critical geological condition corresponding to a 100%dry layer ratio encountered in the *** depth of the DLOA was 9,000 *** study provides a new method for DLOA prediction that is beneficial for a deeper understanding of oil accumulation,and is of great importance for scientific guidance on deep oil drilling.

关键词： Deep layer Tarim Basin Hydrocarbon accumulation Depth limit of oil accumulation Prediction model

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Damping capacity of Fe_(83)Ga_(17) magnetostrictive alloy under magnetic field

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Rare Metals 2024年第1期43卷 402-409页

作者： Shao-Wen Yan Xing Mu Bing-jie Liu Li-hong Xu Shi-Hai Guo Yan Qi hong-Ping Zhang Department of Functional Material Research Central Iron and Steel Research InstituteBeijing 100081China

The damping performance of Fe_(83)Ga_(17) alloys has been investigated in the static magnetic field (H). The results demonstrate that the damping peak value can be adjusted between 0.020 and 0.085 under the magnetic f... 详细信息

关键词： alloy magnetic alloys

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