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Investigation on structure and dynamic property of liquid Pd-Cu-Ni-P alloys using ab initio molecular dynamics simulation

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Science China(Technological Sciences) 2013年第2期56卷 376-386页

作者： qin JingYu gu TingKun PAN ShaoPeng BIAN XiuFang ZHANG Tao The Key Laboratory of Liquid Structure and Heredity of Materials Ministry of EducationShandong UniversitySouthern Campus Department of Materials Science and Engineering Beijing University of Aeronautics and Astronautics

Based on the short-range order,it is found that the abundance of the P-centered P-transition-metal clusters are the common feature among the liquid Pd-Cu-Ni-P alloys,and hence this feature alone could not uncover the underlying mechanisms of the variation of glass forming ability among the liquid *** the so called similar elements such as Cu and Ni,their behaviors are significantly different when interacting with Pd or P *** has weak bonding with both Pd and P while Ni has very strong bonding with P but nearly no bonding with *** different bonding characters thus underlie the phenomenon that in the best glass formers the ratio of the two similar elements often deviates from 1:*** if the parameters of chemical short-range order of Cu and Ni around P become closest to each other the best glass forming ability is *** is also illustrated that the calculated dynamic properties are very helpful to locate the composition of the best glass former.

关键词： liquid alloys molecular dynamics simulation short-range order self-diffusion coefficient viscosity

CuBr-promoted domino Biginelli reaction for the diastereoselective synthesis of bridged polyheterocycles:Mechanism studies and in vitro anti-tumor activities

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Chinese Chemical Letters 2022年第11期33卷 4891-4895页

作者： Mengting Zeng Ying Xue Yunan qin fen Peng Quan Li Ming-Hua Zeng Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials Ministry-of-Education Key Laboratory for the Synthesis and Application of Organic Functional MoleculesCollege of Chemistry and Chemical EngineeringHubei UniversityWuhan 430062China Sichuan Center for Disease Control and Prevention Chengdu 610041China Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources School of Chemistry and Pharmaceutical SciencesGuangxi Normal UniversityGuilin 541004China

The low-cost CuBr-promoted domino Biginelli reaction among readily available ketones,salicylaldehyde derivatives and 3-amino-1,2,4-triazole was studied under solvothermal conditions,giving the novel bridged polyheterocycles bearing two or three stereocenters depending on the starting *** multicomponent reaction proceeded with high diastereoselectivity(dr>20:1)based on a combined~1 H NMR,crystallographic and supercritical fluid chromatographic(SFC)analysis of the ***-dependent high-resolution mass spectrometry(HRMS)was performed to track the reaction process,and several key intermediates were identified,leading to the drawing of a plausible reaction *** functional theory(DFT)calculation was supplemented,and two reaction pathways were ***,in vitro antitumor activity was evaluated using HeLa and HepG2 cell lines,and two of these polyheterocycles demonstrated promising activities against HepG2 cells with EC50 down to 10μmol/***,ESI-MS/MS studies on all the polyheterocycles suggest a common fragmentation pathway(loss of one molecule of amino-triazole)they shared,providing the first-hand fragmentation rules for future rapid structural identification of *** multicomponent domino reaction presented here may offer prospects for future design of more efficient strategies to access medicinally important bridged polyheterocycles.

关键词： Multicomponent reaction Domino reaction Biginelli reaction Bridged polyheterocycles Reaction mechanism Anti-tumor activities

Assembly of the 6/3/5/6 tetracyclic core of rearranged-type C19-diterpenoid alkaloids

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Chinese Chemical Letters 2020年第7期31卷 1903-1905页

作者： Zhaoxiang Meng fen Mi Fei Lu Wei Tan Xiao-Yu Liu Yong qin Key Laboratory of Drug-Targeting and Drug Delivery System of the Education Ministry and Sichuan Province Sichuan Engineering Laboratory for Plant-Sourced Drug and Sichuan Research Center for Drug Precision Industrial TechnologyWest China School of PharmacySichuan UniversityChengdu 610041China

A synthetic study toward the structurally complex rearranged-type C19-diterpenoid alkaloids leading to construction of the strained 6/3/5/6 tetracyclic core is *** synthesis feature s an intramolecular Diels-Alder cycloaddition reaction to assemble the highly substituted central cyclopropane motif,which may serve as a key strategy for the total synthesis of relevant natural product molecules.

关键词： Diterpenoid alkaloid Diels-Alder cycloaddition Cyclopropane Natural product Total synthesis

Confinement properties of circular concrete columns wrapped with prefabricated textile-reinforced fine concrete shells

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Frontiers of Structural and Civil Engineering 2023年第10期17卷 1554-1570页

作者： qin ZHANG Qiao-Chu YANG Xiang-Lin gu Yong JIANG Hai-Yang ZHU College of Civil and Transportation Engineering Hohai UniversityNanjing 210024China Key Laboratory of Performance Evolution and Control for Engineering Structures of Ministry of Education Tongji UniversityShanghai 200092China School of Civil Engineering Suzhou University of Science and TechnologySuzhou 215009China

This paper proposes an innovative column composed of a core column(including both reinforced concrete(RC)and plain concrete(PC)columns)and a prefabricated textile-reinforced fine concrete(TRC)*** study the confinement properties of TRC shells on this novel type of concrete column,20 circular specimens,including 12 PC columns and 8 RC columns,were prepared for axial compressive *** key parameters,including the column size,reinforcing ratio of the carbon textile,concrete strength,and stirrup spacing,were *** results indicated that the compressive properties of the columns were improved by increasing the reinforcing ratio of the textile *** the case of TRC-confined PC columns,the maximum improvement in the peak load was 56.3%,and for TRC-confined RC columns,the maximum improvement was 60.2%.Based on the test results,an analytical model that can be used to calculate the stress–strain curves of prefabricated TRC shell-confined concrete columns has been *** calculated curves predicted by the proposed model agreed well with the test results.

关键词： textile-reinforced fine concrete prefabricated shell confined concrete column confinement properties stress–strain relationship

Total Nitrogen and Total Phosphorus Pollution Reshaped the Relationship Between Water Supply and Demand in the Huaihe River Watershed, China

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Chinese Geographical Science 2023年第3期33卷 512-530页

作者： LU Yan LIU Lyuyi qin fen WANG Jiayao LIU Jianzhong LI Yingjie WAN Luwen School of Geoscience and Technology Zhengzhou UniversityZhengzhou 450001China Henan Provincial Academy of Eco-Environmental Sciences Zhengzhou 450003China Laboratory of Geospatial Technology for the Middle and Lower Yellow River Regions Ministry of EducationHenan UniversityKaifeng 475000China Henan Industrial Technology Academy of Spatio-Temporal Big Data Henan UniversityKaifeng 475000China College of Geography and Environmental Science Henan UniversityKaifeng 475000China Environmental Science and Policy Program Michigan State UniversityEast LansingMI 48824USA

As total nitrogen(TN)and total phosphorus(TP)pollution is the main source of water pollution in the Huaihe River watershed in China,it is important to understand how TN and TP pollution affect the relationship between water supply and *** their impacts and describing the spatiotemporal distribution of these relationships are necessary for furtherly deepening the theory of TN and TP pollution on water bodies,and this information is also particularly essential for managing water resources *** this study,based on the potential water supply,the water demand and the Integrated Valuation of Ecosystem Services and Tradeoffs(InVEST)water purification models,we estimated the TN and TP pollution from agricultural fertilizer,livestock and poultry breeding,and rural residents in the Huaihe River watershed and simulated TN and TP impacts on the relationship between water supply and *** found that if the impact of TN and TP pollution on water supply was not taken into account,on average,there was excess water supply in 79.20%of the watershed and excess demand in 20.80%of the rest during 1980–*** the TN concentration limit,Grade-Ⅱ(The water quality meets the secondary level of water body qualified in GB3838–2002,classified as Grade-II)water was the main watersupply type in 1980–2018,followed by Grade-Ⅰ and Grade-Ⅲ *** total water shortage showed an inverted V-shaped trend:first increasing and then decreasing at the same *** proportion of the water shortage of Grade-I water in the total water shortage was the largest,followed by Grade-Ⅱ and Grade-III *** with excess demand were located on the north bank of Wang-Beng,Yishuhe,and Huxi regions,although the water in these sub-watersheds met the water quality standards of Grade-Ⅰ *** the TP concentration limit,Grade-Ⅱ and Grade-Ⅰ water were the main water-supply *** overall water shortage trend first increased and then decreased,exhibiting an inverted V-shape from

关键词： watershed breeding poultry

Evidence for a therapeutic effect of Braintone on ischemic brain damage

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Neural Regeneration Research 2013年第19期8卷 1743-1755页

作者： Yuanyuan qin Yu Luo Weiwei gu Lei Yang Xikun Shen Zhenlun gu Huiling Zhang Xiumei Gao Department of Pharmacology and Laboratory of Cerebrovascular Pharmacology College of Pharmaceutical Science Suzhou Institute of Chinese Meteria Medica Soochow University Department of Pharmacy Suzhou Hospital of Traditional Chinese Medicine Department of Anesthesiology Xiyuan Hospital China Academy of Chinese Medical Sciences

This study used a novel combination of in vivo and in vitro experiments to show that Braintone had neuroprotective effects and clarified the molecular mechanisms underlying its efficacy. The Chinese herbal extract Braintone is composed of Radix Rhodiolase Essence, Radix Notoginseng Essence, Fofium Ginkgo Essence and Rhizoma Chuanxiong. In vivo experiments showed that cerebral infarction volume was reduced, hemispheric water content decreased, and neurological deficits were alleviated in a rat model of permanent middle cerebral artery occlusion after administration of 87.5, 175 or 350 mg/kg Braintone for 7 consecutive days. Western blot analysis showed that Braintone enhanced the expression of hypoxia-inducible factor la, heme oxygenase-1 and vascular endothe- lial growth factor in the ischemic cortex of these rats. The 350 mg/kg dose of Braintone produced the most dramatic effects. For the in vitro experiments, prior to oxygen-glucose deprivation, rats were intragastrically injected with 440, 880 or 1 760 mg/kg Braintone to prepare a Braintone-co ntaining serum, which was used to pre-treat human umbilical vein endothelial cells for 24 hours. Human umbilical vein endothelial cell injury was alleviated with this pre-treatment. Western blot and real-time PCR analysis showed that the Braintone-containing serum increased the levels of hy- poxia-inducible factor la mRNA and protein, heine oxygenase-1 protein and vascular endothelial growth factor mRNA in oxygen-glucose deprived human umbilical vein endothelial cells. The 1 760 mg/kg dose produced the greatest increases in expression. Collectively, these experimental findings suggest that Braintone has neuroprotective effects on ischemia-induced brain damage via the up-regulation of hypoxia-inducible factor la, heme oxygenase-1 and vascular endothelial growth factor expression in vascular endothelial cells.

关键词： neural regeneration traditional Chinese medicine Braintone ischemic brain damage oxygen-glucosedeprivation endothelial cells hypoxia inducible factor la heme oxygenase-1 vascular endothelial growthfactor grants-supported paper neuroregeneration

Cryptanalysis of Quantum Secure Direct Communication and Authentication Scheme via Bell States

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Chinese Physics Letters 2011年第2期28卷 31-34页

作者： GAO Fei qin Su-Juan guO fen-Zhuo WEN Qiao-Yan State Key Laboratory of Networking and Switching Technology Beijing University of Posts and TelecommunicationsBeijing 100876

The security of the quantum secure direct communication(QSDC)and authentication protocol based on Bell states is *** is shown that an eavesdropper can invalidate the authentication function,and implement a successful man-in-the-middle attack,where he/she can obtain or even modify the transmitted secret without introducing any *** particular attack strategy is demonstrated and an improved protocol is presented.

关键词： introducing quantum modify

Torin2 overcomes sorafenib resistance via suppressing mTORC2-AKT-BAD pathway in hepatocellular carcinoma cells

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Hepatobiliary & Pancreatic Diseases International 2020年第6期19卷 547-554页

作者： Yi-Ting Hu Zhe-Yue Shu Jing-Hua Jiang qin-fen Xie Shu-Sen Zheng Department of Hepatobiliary and Pancreatic Surgery Shulan(Hangzhou)HospitalZhejiang Shuren UniversityShulan International Medical CollegeHangzhou 310022China Division of Hepatobiliary Pancreatic Surgery First Affiliated HospitalZhejiang University School of MedicineHangzhou 310003China Department of Hepatobiliary and Pancreatic Surgery Jinhua Municipal Central HospitalJinhua 321000China

Background:Sorafenib is an oral multi-kinase inhibitor that was approved by the US Food and Drug Administration for the treatment of patients with advanced hepatocellular carcinoma(HCC).However,resistance to sorafenib is an urgent problem to be resolved to improve the therapeutic efficacy of *** the activation of AKT/mTOR played a pivotal role in sorafenib resistance,we evaluated the effect of a dual mTOR complex 1/2 inhibitor Torin2 on overcoming the sorafenib resistance in HCC ***:The sorafenib-resistant Huh7 and Hep3B cell lines were established from their parental cell *** synergistic effect of sorafenib and Torin2 on these cells was measured by cell viability assay and quantified using the Chou-Talalay *** induced by the combination of sorafenib and Torin2 and the alteration in the specific signaling pathways of interest were detected by Western ***:Sorafenib treatment inversely inhibited AKT in parental but activated AKT in sorafenib-resistant Huh7 and Hep3B HCC cells,which underscores the significance of AKT ***2 and sorafenib synergistically suppressed the viability of sorafenib-resistant cells via apoptosis ***2 successfully suppressed the sorafenib-activated mTORC2-AKT axis,leading to the dephosphorylation of Ser136 in BAD protein,and increased the expression of total BAD,which contributed to the apoptosis in sorafenibresistant HCC ***:In this study,Torin2 and sorafenib showed synergistic cytostatic capacity in sorafenibresistant HCC cells,via the suppression of mTORC2-AKT-BAD *** results suggest a novel strategy of drug combination for overcoming sorafenib resistance in HCC.

关键词： Torin2 Sorafenib resistance Hepatocellular carcinoma mTORC2-AKT-BAD pathway

Flotation performances of polymorphic pyrrhotite

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Journal of Central South University 2012年第1期19卷 238-243页

作者： HE Ming-fei qin Wen qing LI Wei-zhong JIAO fen School of Minerals Processing and Bioengineering Central South UniversityChangsha 410083China

The floatability of different crystalline structures of pyrrhotite(monoclinic and hexagonal) was *** is shown that the floatability of monoclinic and hexagonal has obvious difference,and that the flotation recovery of monoclinic pyrrhotite is larger than that of hexagonal pyrrhotite using different *** butyl dithiophosphate is used as the collector,the recovery is larger than that by sodium butyl xanthate and sodium diethyl *** the pH values ranging from 6 to 9,monoclinic pyrrhotite can be floated well,and the flotation recovery is higher than 90%.Monoclinic and hexagonal pyrrhotites are more easily activated by Cu2+ in acidic conditions than in alkaline *** Cu2+ cannot activate hexagonal pyrrhotite using sodium diethyldithiocarbamate as the *** the measurement of contact angle,it is indicated that monoclinic and hexagonal pyrrhotites float well and are easily activated by Cu2+ when dithiophosphate is used as the *** sodium diethyl dithiocarbamate as a collector,the relationship between potential and pH range for pyrrhotite flotation is *** pH 5,the optimal potential range for flotation of monoclinic pyrrhotite is about 125-580 mV(vs SHE),with the maximum flotation occurring at about 350 mV(vs SHE);the optimal potential range for flotation of hexagonal pyrrhotite is 200?580 mV(vs SHE),with the maximum flotation occurring at about 300 mV(vs SHE).

关键词： flotation pyrrhotite pulp potential contact angle