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Valence bond description for structures of O_(3), SO_(2) and NO_(2)^-

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Chinese Journal of Chemistry 1993年第6期11卷 490-498页

作者： wu wei mo yi-rong zhang qian-er Department of Chemistry Xiamen UniversityXiamen 361005

A modern valence bond approach, namely bonded tableau unitary group approach, is applied to ozone, sulphur dioxide and nitrite systems, respectively. It is shown that the biradical structure is in the primary position in descrbing the molecular structure of ozone. Thus three instead of two resonance structures are needed to describe the ground state of ozone. The case of sulphur dioxide is similar to that of ozone. It is found that, however, for the nitrite anion four resonance structures are needed.

关键词： SO2 and NO2 Valence bond description for structures of O3 NO

Ambient electrosynthesis of urea from carbon dioxide and nitrate over mo_(2)C nanosheet

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Chinese Chemical Letters 2024年第8期35卷 319-323页

作者： Yue zhang Xiaoya Fan Xun He Tingyu Yan Yongchao Yao Dongdong Zheng Jingxiang Zhao Qinghai Cai qian Liu Luming Li wei Chu Shengjun Sun Xuping Sun College of Chemistry and Chemical Engineering and Key Laboratory of Photonic and Electronic Bandgap MaterialsMinistry of EducationHarbin Normal UniversityHarbin 150025China Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaChengdu 610054China Institute for Advanced Study Chengdu UniversityChengdu 610106China College of Chemistry Chemical Engineering and Materials ScienceShandong Normal UniversityJi’nan 250014China

Electrocatalytic synthesis of urea through C-N bond formation,converting carbon dioxide(CO_(2))and ni-trate(NO_(3)^(-)),presents a promising,less energy-intensive alternative to industrial urea production *** this communication,we report the application of mo_(2)C nanosheets-decorated carbon sheets(mo_(2)C/C)as a highly efficient electrocatalyst for facilitating C-N coupling in ambient urea *** CO_(2)-saturated 0.2 mol/L Na_(2)SO_(4)solution containing 0.05 mol/L NO_(3)^(-),the mo_(2)C/C catalyst achieves an impres-sive urea yield of 579.13μg h^(-1)mg^(-1)with high Faradaic efficiency of 44.80%at-0.5 V versus the reversible hydrogen *** theoretical calculations reveal that the multiple mo active sites enhance the formation of^(∗)CO and^(∗)NH_(2)intermediates and facilitate their C-N *** research propels the use of mo_(2)C-based electrodes in electrocatalysis and accentuates the capabilities of binary metal-based catalysts in C-N coupling reactions.

关键词： mo_(2)C Multiple active sites C-N coupling Electrocatalysis Urea synthesis Density functional theory calculation

Effectiveness and safety of early lens extraction during par plana vitrectomy for proliferative diabetes retinopathy with mild cataract:a randomized clinical trial

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International Journal of Ophthalmology(English edition) 2024年第3期17卷 528-536页

作者： wei-Bo Feng Lei Zheng ying-Qi Li Yong-Hao Li Guo-Ming zhang Xian Wang Bing-qian Liu Ling Jin yi-Nuo Huang Yang-Fan Yang Zi-Dong Chen Da-Hui Ma Qing-Shan Chen Chao-Jun Qin Bing-Min Feng Zhu-Min Yang Xing Huang Cheng-Jie Yang Sheng-Hui Liu Ming-Xing wu State Key Laboratory of Ophthalmology Guangdong Provincial Key Laboratory of Ophthalmology and Visual ScienceGuangdong Provincial Clinical Research Center for Ocular DiseasesZhongshan Ophthalmic CenterSun Yat-sen UniversityGuangzhou 510275Guangdong ProvinceChina Shenzhen Eye Hospital Affiliated to Jinan University Shenzhen 518040Guangdong ProvinceChina The Affiliated Hospital of Guizhou Medical University Guiyang 550004Guizhou ProvinceChina Guangzhou Aier Eye Hospital Guangzhou 510000Guangdong ProvinceChina

●AIM:To evaluate the effectiveness and safety of early lens extraction during pars plana vitrectomy(PPV)for proliferative diabetic retinopathy(PDR)compared to those of PPV with subsequent cataract surgery.●METHODS:This multicenter randomized controlled trial was conducted in three Chinese hospitals on patients with PDR,aged>45y,with mild *** participants were randomly assigned to the combined(PPV combined with simultaneously cataract surgery,i.e.,phacovitrectomy)or subsequent(PPV with subsequent cataract surgery 6mo later)group and followed up for *** primary outcome was the change in best-corrected visual acuity(BCVA)from baseline to 6mo,and the secondary outcomes included complication rates and medical expenses.●RESULTS:In total,129 patients with PDR were recruited and equally randomized(66 and 63 in the combined and subsequent groups respectively).The change in BCVA in the combined group[mean,36.90 letters;95%confidence interval(CI),30.35–43.45]was significantly better(adjusted difference,16.43;95%CI,8.77–24.08;Pers;95%CI,15.55–29.24)6mo after the PPV,with no significant difference between the two groups at *** overall surgical risk of two sequential surgeries was significantly higher than that of the combined surgery for neovascular glaucoma(17.65%vs 3.77%,P=0.005).No significant differences were found in the photocoagulation spots,surgical time,and economic expenses between two *** the subsequent group,the duration of work incapacity(22.54±9.11d)was significantly longer(Per 45y with mild cataract can also benefit from early lens extraction during PPV with gratifying effectiveness,safety and convenience,compared to sequential surgeries.

关键词： lens extraction pars plana vitrectomy proliferative diabetic retinopathy cataract simultaneously operations

Valence Bond Study of Dissociation Behavior and Spectroscopic Constants for the Ground States of LiF and NaF

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Chemical Research in Chinese Universities 1998年第3期14卷 75-81页

作者： CAO Ze-xing wu wei zhang qian-er Department of Chemistry State Key Laboratory for Physical Chemistry of the Surface Scienceand Institute of Physical ChemistryXiamen UniversityXiamen361005

Ab initio VB calculations were used to determine the accurate spectroscopic parameters of the ground states of LiF and NaF. A set of potential energy curves corresponding to the ground states including ionic and covalent interactions, pure ionic interaction and covalent interaction were generated using the VBSCF method. Curve crossing in the dissociation processes of LiF and NaF was discussed. The optimized VB wave functions suggest that LiF and NaF are of high ionicity, and their ionic weights are 86 2% and 94 6%, respectively. NaF has a higher ionicity. The main difference between atom F and ion F - and the effect of the proper description of this difference on dissociation energies were investigated.

关键词： VBSCF Spectroscopic constant Curve crossing

Ⅱ conjugation in the butadiene

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Chinese Journal of Chemistry 1995年第1期13卷 27-32页

作者： mo, yi-rong wu, wei zhang, qian-erDepartment of Chemistry, Xiamen University, Xiamen, Fujian 361005, China

The π electronic delocalization in trans-C4H6 and cis-C4H6 has been investigated in the frame of ab initio valence bond theory with 6-31G basis set. The result shows that the Csp2-Csp2 single bond length (1.506 A) is only about 0.024 A shorter than the Csp3-Csp3 bond, thus the central bond length shortening would be mainly due to π conjugation. The theoretical resonance energies of the trans-C4H6 and cis-C4H6 are 8.48 and 7.44 kcal/mol, respectively.

关键词： Butadiene valence bond delocalization.

Irisin attenuates intestinal injury,oxidative and endoplasmic reticulum stress in mice with L-arginine-induced acute pancreatitis

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World Journal of Gastroenterology 2019年第45期25卷 6653-6667页

作者： yi-Fan Ren Meng-Zhou Wang Jian-Bin Bi Jia zhang Lin zhang wu-Ming Liu Sha-Sha wei yi Lv Zheng wu rong-qian wu National Local Joint Engineering Research Center for Precision Surgery&Regenerative Medicine Shaanxi Provincial Center for Regenerative Medicine and Surgical EngineeringFirst Affiliated Hospital of Xi’an Jiaotong UniversityXi’an 710061Shaanxi ProvinceChina Department of Hepatobiliary Surgery First Affiliated Hospital of Xi’an Jiaotong UniversityXi’an 710061Shaanxi ProvinceChina

BACKGROUND Acute pancreatitis(AP)is often associated with intestinal injury,which in turn exaggerates the progression of *** recent study has shown that a low level of serum irisin,a novel exercise-induced hormone,is associated with poor outcomes in patients with AP and irisin administration protects against experimental ***,the role of irisin in intestinal injury in AP has not been *** To investigate the effect of irisin administration on intestinal injury in experimental *** AP was induced in male adult mice by two hourly intraperitoneal injections of *** 2 h after the last injection of L-arginine,irisin(50 or 250μg/kg body weight)or 1 mL normal saline(vehicle)was administered through intraperitoneal *** animals were sacrificed at 72 h after the induction of *** injury,apoptosis,oxidative and endoplasmic reticulum(er)stress were *** Administration of irisin significantly mitigated intestinal damage,reduced apoptosis,and attenuated oxidative and er stress in AP *** addition,irisin treatment also effectively downregulated serum tumor necrosis factor-alpha and interleukin-6 levels and alleviated injury in the pancreas,liver and lung of AP *** Irisin-mediated multiple physiological events attenuate intestinal injury following an episode of *** has a great potential to be further developed as an effective treatment for patients with AP.

关键词： Irisin Intestinal injury Oxidative stress Endoplasmic reticulum stress Acute pancreatitis mouse model

Quafu-Qcover:Explore combinatorial optimization problems on cloud-based quantum computers

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Chinese Physics B 2024年第5期33卷 104-115页

作者：许宏泽庄伟峰王正安黄凯旋时运豪马卫国李天铭陈驰通许凯冯玉龙刘培陈墨李尚书杨智鹏钱辰靳羽欣马运恒肖骁钱鹏顾炎武柴绪丹普亚南张翼鹏魏世杰增进峰李行龙桂鲁金贻荣于海峰范桁刘东胡孟军 Beijing Academy of Quantum Information Sciences Beijing 100193China State Key Laboratory of Low Dimensional Quantum Physics Department of PhysicsTsinghua UniversityBeijing 100084China Institute of Physics Chinese Academy of SciencesBeijing 100190China Frontier Science Center for Quantum Information Beijing 100184China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100190China CAS Center for Excellence in Topological Quantum Computation UCASBeijing 100190China

We introduce Quafu-Qcover,an open-source cloud-based software package developed for solving combinatorial optimization problems using quantum simulators and hardware ***-Qcover provides a standardized and comprehensive workflow that utilizes the quantum approximate optimization algorithm(QAOA).It facilitates the automatic conversion of the original problem into a quadratic unconstrained binary optimization(QUBO)model and its corresponding Ising model,which can be subsequently transformed into a weight *** core of Qcover relies on a graph decomposition-based classical algorithm,which efficiently derives the optimal parameters for the shallow QAOA ***-Qcover incorporates a dedicated compiler capable of translating QAOA circuits into physical quantum circuits that can be executed on Quafu cloud quantum *** to a general-purpose compiler,our compiler demonstrates the ability to generate shorter circuit depths,while also exhibiting superior speed ***,the Qcover compiler has the capability to dynamically create a library of qubits coupling substructures in real-time,utilizing the most recent calibration data from the superconducting quantum *** ensures that computational tasks can be assigned to connected physical qubits with the highest *** Quafu-Qcover allows us to retrieve quantum computing sampling results using a task ID at any time,enabling asynchronous ***,it incorporates modules for results preprocessing and visualization,facilitating an intuitive display of solutions for combinatorial optimization *** hope that Quafu-Qcover can serve as an instructive illustration for how to explore application problems on the Quafu cloud quantum computers.

关键词： quantum cloud platform combinatorial optimization problems quantum software

Surgery for hepatocellular carcinoma with tumor thrombosis in inferior vena cava: A case report

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World Journal of Clinical Cases 2021年第36期9卷 11495-11503页

作者： Zun-yi zhang er-Lei zhang Bi-Xiang zhang wei zhang Research Laboratory and Hepatic Surgery Center Department of Hepatic SurgeryTongji HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430000Hubei ProvinceChina

BACKGROUND Hepatocellular carcinoma(HCC)accompanied by a tumor thrombus is very ***,the treatment strategy is controversial and varies by the location of the *** SUMMARY We report herein a case of HCC with a tumor thrombus in the suprahepatic inferior vena cava(IVC),which was successfully treated by hepatectomy combined with thrombectomy following sorafenib chemotherapy.A 47-year-old woman with chronic hepatitis was diagnosed with *** tomography and magnetic resonance imaging showed that the tumor lesion was located in the right half of the liver,and a tumor thrombus was detected in the suprahepatic IVC near the right *** multi-departmental discussion and patient informed consent,right major hepatectomy and total removal of the tumor thrombus were successfully performed under cardiopulmonary *** were no serious complications after *** sorafenib treatment,no recurrence has been detected so far(11 mo later).CONCLUSION Surgical treatment followed by adjuvant sorafenib therapy might be an acceptable choice for HCC patients with tumor thrombosis in the IVC.

关键词： Hepatocellular carcinoma Tumor thrombosis Inferior vena cava Hepatectomy Thrombectomy Sorafenib Cardiopulmonary bypass Case report

Shielding of the geomagnetic field reduces hydrogen peroxide production in human neuroblastoma cell and inhibits the activity of CuZn superoxide dismutase

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Protein & Cell 2017年第7期8卷 527-537页

作者： Hai-tao zhang Zi-jian zhang wei-chuan mo Ping-dong Hu Hai-min Ding ying Liu qian Hua rong-qiao He State Key Laboratory of Brain and Cognitive Science Institute of Biophysics Chinese Academy of Sciences Beijing 100101 China University of Chinese Academy of Sciences Beijing 100049 China Institute of Beijing Chinese Traditional Medicine Beijing University of Chinese Medicine Beijing 100029 China CAS KeY Laboratory of Mental Health Institute of Psychology Beijing 100101 China

Accumulative evidence has shown the adverse effects of a geomagnetic field shielded condition, so called a hypomagnetic field （HMF）, on the metabolic processes and oxidative stress in animals and cells. However, the underlying mechanism remains unclear. In this study, we evaluate the role of HMF on the regulation of cellular reactive oxygen species （ROS） in human neuroblastoma SH-SY5Y cells. We found that HMF exposure led to ROS decrease, and that restoring the decrease by additional H2O2 rescued the HMF-enhanced cell proliferation. The measurements on ROS related indexes, including total anti-oxidant capacity, H2O2 and superoxide anion levels, and superoxide dismutase （SOD） activity and expres- sion, indicated that the HMF reduced H2O2 production and inhibited the activity of CuZn-SOD. moreover, the HMF accelerated the denaturation of CuZn-SOD as well as enhanced aggregation of CuZn-SOD protein, in vitro. Our findings indicate that CuZn-SOD is able to response to the HMF stress and suggest it a mediator of the HMF effect.

关键词： hypomagnetic field reactive oxygenspecies hydrogen peroxide superoxide dismutase,oxidative stress