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Structures and stability of isomers of[Si,N,N,P]system

Science china {1. 2004年第2期47卷 98-105页

作者： kan wei1, yu haitao1, li mingxia1, fu honggang1,2 & sun jiazhong1,2 1. college of chemistry and chemical engineer.ng, heilongjiang university, har.in 150080, china 2. State Key Laboratory of Theoretical and Computational chemistry, Institute of Theoretical chemistry, Jilin university, Changchun 130023, china college of {1. and chemical engineer.ng Heilongjiang University Harbin China State Key Laboratory of Theoretical and Computational chemistry Institute of Theoretical Chemistry Jilin University Changchun China

Some stationary points on the potential energy surface of [Si, N, N, P] system were located at the B3LYP/6-31.G(d) and QCISD(t)/6-31.+G(2df)(single-point) levels of theory, while the isomerization, structures, and stability of these obtained isomers were suggested. The computed results indicate that only four-membered ring isomer SiNPN(E1. 2A'), which possesses butterfly-like structure and Si-P cross bonding, is kinetically stable in all optimized isomers. Other isomers may be considered as kinetically unstable towards isomerization or dissociation because of the corresponding smaller reaction barriers. furthermore, the present paper also proposes electronic and geometric structures, vibrational frequencies and the corresponding vibrational modes, dipole moments, and rotational constants of isomer E1. To make use of the computed results, we can clearly know that the reaction pathway via an intermediate E3 (SiNPN) is the most favorable channel producing isomer E1.from fragments SiN(2Π) and PN (1.), which have been well characterized in space, and thus, isomer E1.can be considered as a candidate for interstellar observation. The reaction enthalpy of SiN(2Π) + PN(1.)→ E1.and the standard enthalpy of formation of isomer E1.are 21..25 and 457.99 kJ/mol, respectively, at 298.1. K. Keywords potential energy surface - [Si,N,N,P] system - isomerization - kinetic stability

关键词： potential energy surface, [Si,N,N,P] system, isomerization, kinetic stability.

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Structures and stability of isomers of[C,N,N,P]system

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Science china {1. 2005年第5期48卷 415-423页

作者： kan wei1,2, ZHOng Hua1, yu haitao1, fu honggang1,3 & sun jiazhong1,3 1. School of chemistry and Materials Science, heilongjiang university, har.in 150080, china 2. School of chemistry and chemical engineer.ng, Qiqihar university, Qiqihar 161006, china 3. State Key Laboratory of Theoretical and Computational chemistry, Institute of Theoretical chemistry, Jilin university, Changchun 130023, china School of chemistry and Materials Science Heilongjiang University Harbin China School of chemistry and {1. engineer.ng Qiqihar University Qiqihar China Jilin {1. Changchun China

Nine isomers, twenty transition states, and some relative dissociation fragments of [C,N,N,P] system were located at the B3LYP/6-31.G(d) and QCISD(t)/6-31.+G(2df) (single-point) levels of theory, and the isomerization, structures, and stability of these obtained isomers were suggested. The results indicate that four nonlinear chainlike isomers NCNP, NCPN, CNPN, and CNNP with 2A′ electronic state are kinetically stable. Other isomers are kinetically unstable to-wards isomerization or dissociation because of the corresponding smaller reaction barriers. furthermore, calculated vibrational frequencies, rotational constants, dipole moments, the first adiabatic ionization energies, and adiabatic electron affinities of the four isomers may provide some theoretical information that is helpful for identifying their existence in future laboratory and interstellar investigations. The results are also compared with [Si,N,N,P] system.

关键词： potential energy surface, [C,N,N,P] system, isomerization, kinetic stability.

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MOF-derived Cu embedded into N-doped mesoporous carbon as a robust support of PdAu nanocatalysts for ethanol electrooxidation

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Rare Metals 2024年第3期43卷 1083-1094页

作者： yu-{1. Huang Peng Wu Jun-Ping Tang Jian Yang Jing li Shuai Chen Xue-ling Zhao ChengChen Bin-wei Zhang Yan-yun Ma wei-Heng Shi Dong-Hai lin Shi-Gang sun School of Energy and Materials Shanghai Engineering Research Center of Advanced Thermal Functional MaterialsShanghai Key Laboratory of Engineering Materials Application and EvaluationShanghai Polytechnic UniversityShanghai201209China State Key Laboratory of Physical chemistry of So{1.d Surfaces Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen361005China School of chemistry and {1. engineer.ng Chongqing UniversityChongqing401331China Center of Advanced Energy Technology and Electrochemistry Institute of Advanced Interdisciplinary StudiesChongqing UniversityChongqing400044China Institute of functional Nano&Soft Materials(fuNSOM) Jiangsu Key Laboratory for Carbon-Based Functional Materials&DevicesSoochow UniversitySuzhou215123China Department of Materials Science and engineer.ng Drexel UniversityPhiladelphiaPA19104USA

Metal-organic frameworks(MOFs)h ave attracted widespread attention due to their large surface area and porous *** designing the nanostructures of MOFs to promote their application in ethanol electrooxidation is still a ***,a novel Cu-NCNs(Cu-nitrogen-doped carbon nanotubes)support was synthesized by pyrolysis of melamine(MEL)and Cu-ZIF-8 together,and then,Pd-Au nanoalloys were loaded by sodium borohydride reduction method to prepare PdAu@Cu-NCNs *** generating mesoporous carbon with high specific surface area and favorable electron and mass transport can be used as a potential excellent carrier for PdAu *** addition,the balance of catalyst composition and surface structure was tuned by controlling the content of Pd and ***,the best-performed Pd_(2)Au_(2)@Cu-NCN-1.00-2(where 1.00 means the carrier calcination temperature,and 2 means the calcination constant temperature time)catalyst exhibits better long-term stability and electrochemical activity for ethanol oxidation in alkaline media(4.80 A·mg^(-1.),which is 5.05 times higher than that of commercial Pd/C(0.95 A·mg^(-1.).Therefore,this work is beneficial to further promoting the application of MOFs in direct ethanol fuel cells(DEFCs)and can be used as inspiration for the design of more efficient catalyst support structures.

关键词： Metal-organic frameworks(MOFs) N-doped Mesoporous carbon PdAu Ethanol electrooxidation

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Ultrasonic vibration enabled under-liquid forming of metallic glasses

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Science Bulletin 2024年第2期69卷 163-166页

作者： Xin li Luyao li Sajad Sohrabi Jia'nan fu Zhen li Zhe Chen Rongce sun yu Zhang Jinbiao Huang Heting Zhang Jian Zhu Xiangyan Chen Kaikai Song Jiang Ma School of Mechanical Electrical&Information EngineeringShandong UniversityWeihai 264209China State Key Laboratory of Radio Frequency Heterogeneous Integration College of Mechatronics and Control EngineeringShenzhen UniversityShenzhen 518060China Department of Mechanics and Aerospace engineer.ng Southern University of Science and TechnologyShenzhen 518055China Shenzhen Research Institute of Shandong university Shenzhen 518057China

Advancements in forming technology offer significant advantages for the manufacturing industry,including enhanced efficiency,energy conservation,and improved material utilization[1..However,traditional additive manufacturing[2],thermoplastic forming[3],and laser cutting[4]encounter challenges when applied in under-liquid environments,mainly due to difficulties in temperature control and heat source provision.

关键词： glasses liquid metallic

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Constructing oxygen deficiency-rich V_(2)O_(3)@PEDOT cathode for high-performance aqueous zinc-ion batteries

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Rare Metals 2024年第2期43卷 635-646页

作者： Dong-Fei sun Zi-Juan Wang Tian Tian Xin {1. Dan-Dan {1. Xiao-Zhong Zhou Guo-fu Ma Zi-Qiang Lei Key Laboratory of Eco-functional Polymer Materials of the Ministry of Education Key Laboratory of Eco-environmental Polymer Materials of Gansu ProvinceSchool of College of Chemistry and Chemical EngineeringNorthwest Normal UniversityLanzhou730070China

Aqueous zinc-ion batteries(AZIBs)have attracted widespread attention due to the advantages of high safety and environmental *** V_(2)O_(3) is a promising cathode,the strong electrostatic interaction between Zn^(2+) and V_(2)O_(3) crystal,and the sluggish reaction kinetics still limit their application in ***,the oxygen defects rich V_(2)O_(3) with conducive poly(3,4-ethylenedioxythiophene)(PEDOT)shell(V_(2)O_(3)-Od@PEDOT)was fabricated for AZIBs by combining the sulfur-assisted thermal reduction and in-situ polymerization *** introduced oxygen vacancies of V_(2)O_(3)–Od@PEDOT weaken the electrostatic interaction between Zn^(2+) and the host material,improving the interfacial electron transport,while the PEDOT coating enhances the structural stability and conductivity of V_(2)O_(3),thus accelerating the reaction *** on the advantages,V_(2)O_(3)–Od@PEDOT electrode delivers a reversible capacity of 495 mAh·g^(−1. at 0.1.A·g^(−1.,good rate capability(1.9 mAh·g^(−1.at 8.0 A·g^(−1.),and an impressive cycling stability with 90.1.capacity retention over 1.00 cycles at 8.0 A·g^(−1..The strategy may provide a path for exploiting the other materials for high performance AZIBs.

关键词： Oxygen defects V_(2)O_(3) PEDOT Electrochemical self-optimization Aqueous zinc-ion batteries

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Effect and Safety of Herbal Medicine Foot Baths in Patients with Diabetic Peripheral Neuropathy:A Multicenter Double-Blind Randomized Controlled Trial

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Chinese Journal of Integrative Medicine 2024年第3期30卷 195-202页

作者： HUAng Hao-yue liN yu-ping wei Hua fu yu ZHOU yue-hong FAng Zhao-hui QIU Xiao-tang WAng Mei li Qing-bo li Shan-shan WAng Shi-dong DAI Fang liU Zhen-jie ZHAO ling WEN Jian-xuan WU li-yan ZEng Hui-yan ZHAng Jin-ming LU Qi-yun HE liu SOng wei sun Lu LUO Lu-lu HE Jia-li XIE Wen-wen liAng Qing-shun HUAng yuan ZHU Sheng-ling LOng Jie-er GAO Zhi-juan WEN Ze-huai li Chun-ji OUYAng Wen-wei li Geng WU Ming-hui li An-xiang HUAng Jin-zhu Sanjoy K Paul TAng Xian-yu FAN Guan-jie Department of Endocrinology Guangdong Provincial Hospital of Chinese MedicineGuangzhou510120China The Second Clinical {1. of Guangzhou university of Chinese Medicine Guangzhou510120China Department of Endocrinology The Second Affiliated Hospital of Guangzhou University of Chinese MedicineGuangzhou510120China Guangdong Provincial Academy of Chinese Medical Sciences Guangzhou510120China Department of Endocrinology The First Affiliated Hospital of Henan University of Chinese MedicineZhengzhou450000China Department of Endocrinology Liuyang Hospital of Chinese MedicineChangsha410000China Department of Endocrinology The First Affiliated Hospital of Anhui University of Chinese MedicineHefei230000China Department of Endocrinology Hainan Provincial Hospital of Traditional Chinese MedicineHaikou570100China Department of Endocrinology The Affiliated Hospital of Liaoning University of Traditional Chinese MedicineShenyang110000China Department of Geriatric Luoyang No.1 Hospital of Traditional Chinese MedicineLuoyangHenan Province471000China Department of Endocrinology The Second Affiliated Hospital of Guizhou University of Traditional Chinese MedicineGuiyang550000China Department of Endocrinology Beijing University of Chinese Medicine Affiliated Dongzhimen HospitalBeijing100000China Department of Endocrinology The First Affiliated Hospital of Guizhou University of Traditional Chinese MedicineGuiyang550000China Melbourne EpiCentre The University of Melbourne and Melbourne HealthMelbourne3013Australia

Objective:To evaluate the effect and safety of foot baths with Tangbi Waixi Decoction(TW)in treating patients with diabetic peripheral neuropathy(DPN).Methods:It is a multicenter double-blinded randomized controlled *** with DPN were recruited between November 1.,201. and May 30,201. from 8 hospitals in *** patients received basic treatments for glycemic *** received foot baths with TW herbal granules either 66.9 g(intervention group)or 6.69 g(control group)for 30 min once a day for 2 weeks and followed by a 2-week rest,as a therapeutic *** the Toronto Clinical Scoring System total score(TCSS-TS)6 points,the patients received a total of 3 therapeutic courses(for 1. weeks)and were followed up for 1. *** primary outcome was change in TCSS-TS score at 1. and 24 *** outcomes included changes in bilateral motor nerve conduction velocity(MNCV)and sensory nerve conduction velocity(SNCV)of the median and common peroneal *** was also ***:Totally 632 patients were enrolled,and 31. and 31. were randomized to the intervention and control groups,*** the 1.-week intervention,patients in both groups showed significant declines in TCSSTS scores,and significant increases in MNCV and SNCV of the median and common peroneal nerves compared with pre-treatment(P1. weeks and the increase of SNCV of median nerve at 24 weeks in the control group were greater than those in the intervention group(P0.05),and no serious adverse event was related with ***:Treatment of TW foot baths was safe and significantly benefitted patients with DPN.A low dose of TW appeared to be more effective than a high dose.(Registry *** CTR-IOR-1.009331.

关键词： diabetic peripheral neuropathy herbal medicine foot baths Chinese medicine randomized controlled trial Tangbi Waixi Decoction

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Molecular mechanism of hypoxia and alpha-ketoglutaric acid on collagen expression in scleral fibroblasts

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International Journal of Ophthalmology(English edition) 2024年第10期17卷 1780-1790页

作者： yun {1. Zhuo-Zheng li Jing Yang Ya-Ru Sha Xin-yu Hou Hong fu Jia-Yin li Shu-Chang Bai Yong-Fang Xie Guo-Hui Wang School of life Science and Technology Shandong Second Medical UniversityWeifang 261053Shandong ProvinceChina

AIM:To investigate the molecular mechanisms underlying the influence of hypoxia and alpha-ketoglutaric acid(α-KG)on scleral collagen ***:Meta-analysis and clinical statistics were used to prove the changes in choroidal thickness(ChT)during *** establishment of a hypoxic myopia model(HYP)for rabbit scleral fibroblasts through hypoxic culture and the effects of hypoxia andα-KG on collagen expression were demonstrated by Sirius red *** analysis was used to verify the genes and pathways that hypoxia andα-KG affect collagen ***,real-time quantitative reverse transcription polymerase chain reaction(RT-qPCR)was used for reverse ***:Meta-analysis results aligned with clinical statistics,revealing a thinning of ChT,leading to scleral *** red staining indicated lower collagen expression in the HYP group and higher collagen expression in the HYP+α-KG group,showed that hypoxia reduced collagen expression in scleral fibroblasts,whileα-KG can elevated collagen expression under HYP *** analysis unveiled the related genes and signaling pathways of hypoxia andα-KG affect scleral collagen expression and the results were verified by ***:The potential molecular mechanisms through which hypoxia andα-KG influencing myopia is unraveled and three novel genes TLCD4,TBC1.4,and EPHX3 are *** findings provide a new perspective on the prevention and treatment of myopia via regulating collagen expression.

关键词： sclera scleral collagen expression hypoxia alpha-ketoglutaric acid myopia

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Naoxueshu Oral liquid Accelerates Post-Craniotomy Hematoma Absorption in Patients:An Open-Label,Multicenter,and Randomized Controlled Trial

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Chinese Journal of Integrative Medicine 2024年第8期30卷 675-683页

作者： HE Qiu liN fu-xin SU Jin-ye ZHUO ling-yunn ZHU Qing sun Xiao-chuan JIAng Rong-cai YAO Zhi-gang WAng Lei DAng Yan-wei liU De-zhong liU Yang FAng Wen-hua WAng Fang-yu liN yuan-xiang WAng An-xin WAng Deng-liang kanG De-zhi Department of Neurosurgery Neurosurgery Research InstituteThe First Affiliated Hospital of Fujian Medical UniversityFuzhou350004China Department of Neurosurgery Binhai Branch of National Regional Medical CenterThe First Affiliated HospitalFujian Medical UniversityFuzhou350209China Clinical Research and Translation Center The First Affiliated Hospital of Fujian Medical UniversityFuzhou350004China fujian C{1.nical Research Center for Neurological Diseases The First Affiliated Hospital of Fujian Medical UniversityFuzhou350004China fujian Provincial Institutes of Brain Disorders and Brain Sciences The First Affiliated Hospital of Fujian Medical UniversityFuzhou350004China Department of Neurosurgery The Second Affiliated Hospital of Soochow UniversitySuzhouJiangsu Province215000China Department of Neurosurgery The First Affiliated Hospital of Chongqing Medical UniversityChongqing400000China Department of Neurosurgery Tianjin Medical University General HospitalTianjin300000China Department of Neurosurgery The Third Hospital of ShijiazhuangShijiazhuang050000China Department of Neurosurgery The First College of Clinical Medical ScienceChina Three Gorges UniversityYichangHubei Province443000China Department of Neurosurgery Yichang Central People’s HospitalYichangHubei Province443000China Department of Neurosurgery Xiangyang No.1 People’s Hospital Affiliated to Hubei University of MedicineXiangfanHubei Province441100China Department of Neurosurgery Zhoukou Central HospitalZhoukouHenan Province466000China Department of Neurosurgery The Third Hospital of MianyangMianyangSichuan Province621000China Department of Neurology Beijing Tiantan HospitalCapital Medical UniversityBeijing100000China china National C{1.nical Research Center for Neurological Diseases Beijing Tiantan HospitalCapital Medical UniversityBeijing100000China Department of Clinical Epidemiology and Clinical Trial Capital Medical UniversityBeijing100000China Beijing Municipal Key Laboratory of Clinical

Objective To investigate whether Naoxueshu Oral liquid(NXS)could promote hematoma absorption in post-craniotomy hematoma(PCH)*** This is an open-label,multicenter,and randomized controlled trial conducted at 9 hospitals in *** aged 1.–80 years with post-craniotomy supratentorial hematoma volume ranging from 1. to 30 mL or post-craniotomy infratentorial hematoma volume less than 1. mL,or intraventricular hemorrhage following cranial surgery were *** were randomly assigned at a 1.1.ratio to the NXS(1. mL thrice daily for 1. days)or control groups using a randomization code *** medical care was administered in both *** primary outcome was the percentage reduction in hematoma volume from day 1.to day *** secondary outcomes included the percentage reduction in hematoma volume from day 1.to day 7,the absolute reduction in hematoma volume from day 1.to day 7 and 1.,and the change in neurological {1.nction from day 1.to day 7 and *** safety was closely monitored throughout the ***,subgroup analysis was performed based on age,gender,history of diabetes,and etiology of intracerebral hemorrhage(ICH).Results A total of 1.0 patients were enrolled and randomly assigned between March 30,201. and April 1.,*** patient was lost to follow-up in the control ***,there were 1.9 patients(60 in the NXS group and 59 in the control group)included in the *** the {1.ll analysis set(FAS)analysis,the NXS group had a greater percentage reduction in hematoma volume from day 1.to day 1. than the control group[median(Q1.Q3):85%(71.,97%)vs.76%(53%,93%),P0.05).{1.rthermore,no adverse events were reported during the *** the FAS analysis,the NXS group exhibited a higher percentage reduction in hematoma volume on day 1. in the following subgroups:male patients,patients younger than 65 yea

关键词： post-craniotomy hematoma Naoxueshu Oral liquid hematoma absorption randomized controlled trial Chinese medicine

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Sonic hedgehog protein promotes bone marrow-derived endothelial pro-genitor cell proliferation,migration and VEGF production via PI 3-kinase/Akt signaling pathways

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Acta Pharmacologica Sinica 2006年第6期27卷 685-693页

作者： Jin-rong fu~2 Wen-{1. {1.U~(2,4)Jian-feng ZHOU~2 Han-ying sun~2 Hui-zhen XU~2 {1. LUO~2 Heng ZHAng~2 yu-feng ZHOU~3 2 Department of Hematology.Tongji Hospital,Tongji Medical college,Huazhong university of Science and Technology,Wuhan 430030,china:3 Department of Pediatrics,Tongji Hospital,Tongji Medical college,Huazhong university of Science and Technology,Wuhan 430030,china DepartmentofHematology TongjiHospitalTongjiMedicalCollegeHuazhongUniversityofScienceandTechnologyWuhan430030China DepartmentofPediatrics TongjiHospitalTongjiMedicalCollegeHuazhongUniversityofScienceandTechnology

Aim:To investigate the effects of Sonic hedgehog(shh)protein on bone marrow-derived endothelial progenitor cells(BM-EPC)proliferation,migration and vascu-lar endothelial growth factor(VEGF)production,and the potential signaling path-ways involved in these ***:Bone marrow-derived Flk-1.+ cells wereenriched using the MACS system from adult Kunming mice and then BM-EPCwas cultured in gelatin-coated culture *** effects of shh N-terminal pep-tide on BM-EPC proliferation were evaluated using the MTT colorimetric *** migration was assayed using a modified Boyden chamber *** of VEGF was determined by EliSA and immunofluorescence *** potential involvement of PKC and PI3K signaling pathways was exploredusing selective inhibitor or Western ***:The proliferation,migrationand VEGF production in BM-EPC could be promoted by endogenous shh N-terminal peptide at concentrations of 0.1.g/mL to 1. μg/mL,and could be inhib-ited by anti-shh ***-mediated proliferation and migration in BM-EPCcould be partly attenuated by ***-PI3-kinase expression in newlyseparated BM-EPC was low,and it increased significantly when exogenous shhN-terminal peptide was added,but could be attenuated by anti-human/mouse shhN-terminal peptide ***,the inhibitor of the PI3-kinase,but notthe inhibitor of the PKC,significantly inhibited the shh-mediated proliferation,migration and VEGF ***:Shh protein can stimulate bonemarrow-derived BM-EPC proliferation,migration and VEGF production,whichmay promote neovascularization to ischemic *** results also suggeststhat the PI3-kinase/Akt signaling pathways are involved in the angiogenic effectsof shh.

关键词： mouse Sonic hedgehog protein endothelial cells stem cells protein kinase C 1.phosphatidylinositol 3-kinase vascular endothelial growth factor A cell proliferation emigration immigration

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增材制造形状记忆合金的最新进展

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Transactions of Nonferrous Metals Society of china 2024年第7期34卷 2045-2073页

作者：杨雨茜高卫红孙斌傅宇东孟祥龙哈尔滨工程大学材料科学与化学工程学院哈尔滨150001 哈尔滨工业大学材料科学与工程学院哈尔滨150001

增材制造(AM)作为一项革命性技术,能够以前所未有的自由度制造复杂的形状记忆合金(SMA)部件,从而为现代制造业的发展以及传统制造业的转型提供巨大契机。本篇综述从微观结构、性能和前景的角度阐明增材制造形状记忆合金的研究进展,为制... 详细信息

增材制造(AM)作为一项革命性技术,能够以前所未有的自由度制造复杂的形状记忆合金(SMA)部件,从而为现代制造业的发展以及传统制造业的转型提供巨大契机。本篇综述从微观结构、性能和前景的角度阐明增材制造形状记忆合金的研究进展,为制备具有高性能和多功能性的理想材料拓宽思路。改变扫描参数能够有效调控打印过程中独特的微观组织——外延凝固形成的柱状晶粒。在析出相、位错、孪晶与层错等微观结构的综合影响下可获得优异且稳定的形状记忆效应与超弹性。最后,仍需要在材料、技术、性能和方法等方面取得进一步突破,以促进增材制造形状记忆合金在各行业中的应用。

关键词：形状记忆合金增材制造外延凝固马氏体转变工艺参数控制

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