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Spacial Structure of Cationic Phosphorus Ligand-Ru （Ⅱ） Halide Complexes-by DFT Study

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Chinese Chemical Letters 2005年第11期16卷 1555-1558页

作者： Yi Xin ZHAO shu guang wang School of Chemistry and Chemical Technology Shanghai Jiaotong University Shanghai 200240

The full-parameter geometry optimization of cationic （ S ） - BINAP - Ru （ Ⅱ ） halide complex was performed by DFT method using B3LYP, PW91 and PBE potentials with several basis sets. PW91 with 3-21G / SDD basis sets is found to be the most suitable method with consideration of both precision and efficiency. The dihedral angles （ θ ） of the binaphthyl or biphenyl with different phosphorus ligand - Ru （ Ⅱ ） halide complexes were found changing from 59.9 to 79.3 degree, while the natural bite angle （ βn ） of those complexes only changes from 87.4 to 90.3 degree. It is different from the common view of asymmetric organic chemists＇ that θ directly influences βn.

关键词： Chiral phosphorus ligand DFT dihedral angle(θ) natural bite angle(βn).

Qualitatively and quantitatively assessing the aggregation ability of sludge during aerobic granulation process combined XDLVO theory with physicochemical properties

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Journal of Environmental Sciences 2018年第5期30卷 154-160页

作者： Shasha Yuan Mingming Gao Hui Ma Muhammad Zaheer Afzal Yun-Kun wang Mingyu wang Hai Xu shu-guang wang Xin-Hua wang Shandong Provincial Key Laboratory of Water Pollution Control and Resource Reuse School of Environmental Science and EngineeringShandong UniversityJinan 250100China Beijing Municipal Commission of Urban Planning Tongzhou District Branch Beijing 101101China State Key Laboratory of Microbial Technology School of Life SciencesShandong UniversityJinan 250100China

Inexact mechanism of aerobic granulation still impedes optimization and application of aerobic granules. In this study, the extended Derjaguin, Landau, Verwey, and Overbeek（XDLVO） theory and physicochemical properties were combined to assess the aggregation ability of sludge during aerobic granulation process qualitatively and quantitatively. Results show that relative hydrophobicity of sludge and polysaccharide content of extracellular polymeric substances（EPS） increased, while electronegativity of sludge decreased during acclimation phase. After 20 days＇ acclimation, small granules began to form due to high aggregation ability of sludge. Since then, coexisted flocs and granules possessed distinct physicochemical properties during granulation and maturation phase. The relative hydrophobicity decreased while electronegativity increased for flocs, whereas that for granules presented reverse trend. Through analyzing the interaction energy using the XDLVO theory, small granules tended to self-grow rather than self-aggregate or attach of flocs due to poor aggregation ability between flocs and granules during the granulation phase. Besides, remaining flocs were unlikely to self-aggregate owing to poor aggregation ability, low hydrophobicity and high electronegativity.

关键词： Aerobic granulation XDLVO theory Aggregation ability Extracellular polymeric substances

A new flavonoid from the bract of Zea mays L.

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Chinese Chemical Letters 2010年第11期21卷 1350-1351页

作者： Yan wang Yin Yan Liu Xiao Hong Yang Di Chen Cheng Peng guang shu wang School of Pharmaceutical Sciences Jilin University Changchun 130021 China The Third Hospital Jilin University Changchun 130012 China

A new flavonoid was isolated from the bract of Zea mays *** structure of the compound was identified as 4＇,5,7-trihydroxy-3＇,5＇-dimethoxyflavone 7-O-[β-D-apiofuranosyl（1→2）]-β-D-glucopyranoside on the ground o... 详细信息

关键词： Zea mays L. Flavonoid Bract

A Novel Method for Forecasting Freak Wave Occurrence in A Short Crested Coastal Sea

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China Ocean Engineering 2024年第1期38卷 104-116页

作者： wang Ying-guang State Key Laboratory of Ocean Engineering Shanghai Jiao Tong UniversityShanghai 200240China School of Ocean and Civil Engineering Shanghai Jiao Tong UniversityShanghai 200240China

In order to forecast the distribution of crest amplitudes and the occurrence of freak waves in a short crested coastal sea,a novel transformed linear simulation method is initially proposed in this paper.A Hermite transformation model expressed as a monotonic cubic polynomial serves as the foundation for the novel simulation *** wave crest amplitude exceedance probabilities of two sea states-one with a directional wave spectrum based on the measured wave elevation data at the Yura coast and the other with a typical directional JONSWAP wave spectrum-have been predicted using the novel simulation method that has been *** likelihood that a particular critical wave crest amplitude will be exceeded is directly correlated with the probability that freak waves will *** is shown that the novel simulation approach suggested can provide predictions that are more precise than those obtained from the Rayleigh crest amplitude distribution model,the Jahns and Wheeler crest amplitude distribution model,or the conventional linear simulation *** study also demonstrated that the nonlinear simulation method is less effective than the novel simulation method in terms of efficiency.

关键词： wave crest amplitude freak waves short crested sea transformed linear simulation

Spacial Structure of Cationic Phosphorus Ligand–Ru (II) Halide Complexes—by DFT Study

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Chinese Chemical Letters 2005年第11期 139-142页

作者： Yi Xin ZHAO, shu guang wang* School of Chemistry and Chemical Technology, Shanghai Jiaotong University, Shanghai 200240

The full-parameter geometry optimization of cationic ( S ) – BINAP – Ru ( II ) halide complex was performed by DFT method using B3LYP, PW91 and PBE potentials with several basis sets. PW91 with 3-21G / SDD basis sets is found to be the most suitable method with consideration of both precision and efficiency. The dihedral angles ( θ ) of the binaphthyl or biphenyl with different phosphorus ligand – Ru ( II ) halide complexes were found changing from 59.9 to 79.3 degree, while the natural bite angle ( βn ) of those complexes only changes from 87.4 to 90.3 degree. It is different from the common view of asymmetric organic chemists’ that θ directly influences βn.

关键词： Chiral phosphorus ligand DFT dihedral angle (θ) natural bite angle (βn)

Differentially private SGD with random features

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Applied Mathematics(A Journal of Chinese Universities) 2024年第1期39卷 1-23页

作者： wang Yi-guang GUO Zheng-chu Polytechnic Institute of Zhejiang University Zhejiang UniversityHangzhou 310015China School of Mathematical Sciences Zhejiang UniversityHangzhou 310058China

In the realm of large-scale machine learning,it is crucial to explore methods for reducing computational complexity and memory demands while maintaining generalization ***,since the collected data may contain some sensitive information,it is also of great significance to study privacy-preserving machine learning *** paper focuses on the performance of the differentially private stochastic gradient descent(SGD)algorithm based on random *** begin,the algorithm maps the original data into a lowdimensional space,thereby avoiding the traditional kernel method for large-scale data storage ***,the algorithm iteratively optimizes parameters using the stochastic gradient descent ***,the output perturbation mechanism is employed to introduce random noise,ensuring algorithmic *** prove that the proposed algorithm satisfies the differential privacy while achieving fast convergence rates under some mild conditions.

关键词： learning theory differential privacy stochastic gradient descent random features reproducing kernel Hilbert spaces

Non-contact and full-field online monitoring of curing temperature during the in-situ heating process based on deep learning

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Advances in Manufacturing 2024年第1期12卷 167-176页

作者： Qiang-Qiang Liu shu-Ting Liu Ying-guang Li Xu Liu Xiao-Zhong Hao College of Mechanical and Electrical Engineering Nanjing University of Aeronautics and AstronauticsNanjing210016People’s Republic of China School of Mechanical and Power Engineering Nanjing Tech UniversityNanjing211816People’s Republic of China

Online monitoring of the curing temperature field is essential to improving the quality and efficiency of the manufacturing process of composite *** embedded sensor-based technologies have difficulty monitoring the full temperature field or have to introduce heterogeneous items that could have an undesired impact on the *** this paper,a non-contact,full-field monitoring method based on deep learning that predicts the internal temperature field of composite parts in real time using surface temperature measurements of auxiliary materials is *** the proposed method,an average temperature monitoring accuracy of 97%is achieved in various heating *** addition,this method also demonstrates satisfying feasibility when a stronger thermal barrier covers the *** method was experimentally validated during the self-resistance electric heating process,in which the monitoring accuracy reached 93.1%.This method can potentially be applied to automated manufacturing and process control in the composites industry.

关键词： Online monitoring Curing temperature field Deep learning(DL) In-situ heating

Development and validation of a nomogram to predict allograft survival after pediatric liver transplantation

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World Journal of Pediatrics 2024年第3期20卷 239-249页

作者： guang-Xiang Gu shu-Ting Pan Yi-Chen Fan Chen Chen Qiang Xia Department of Liver Surgery Renji HospitalShanghai Jiaotong University School of MedicineNo.160 Pujian RoadPudong New DistrictShanghai 200128China Department of Liver Transplantation Sun Yet-Sen Memorial HospitalSun Yat-Sen UniversityNo.107 Yanjiang West RoadGuangzhou 510080China Clinical Center for Investigation Renji HospitalShanghai Jiaotong University School of MedicineShanghaiChina Department of Anesthesiology Renji HospitalShanghai Jiaotong University School of MedicineShanghaiChina

Background Liver transplantation is the main treatment for cholestatic liver disease and some metabolic liver diseases in ***,no accurate prediction model to determine the survival probability of grafts prior to surgery *** study aimed to develop an effective prognostic model for allograft survival after pediatric liver *** This retrospective cohort study included 2032 patients who underwent pediatric liver transplantation between January 1,2006,and January 1,2020.A nomogram was developed using Cox regression and validated based on bootstrap *** and discriminatory accuracies were determined using the concordance index and visualized using calibration curves;net benefits were calculated for model *** online Shiny application was developed for easy access to the *** Multivariable analysis demonstrated that preoperative diagnosis,recipient age,body weight,graft type,preoperative total bilirubin,interleukin-1β,portal venous blood flow direction,spleen thickness,and the presence of heart disease and cholangitis were independent factors for survival,all of which were selected in the *** of the nomogram indicated that the 1-,3-,and 5-year predicted survival rates agreed with the actual survival *** concordance indices for graft survival at 1,3,and 5 years were 0.776,0.757,and 0.753,respectively,which were significantly higher than those of the Pediatric End-Stage Liver Disease and Child-Pugh scoring *** allograft dysfunction risk of a recipient could be easily predicted using the following URL:https://***/ASPELT/l Conclusion The allograft survival after pediatric liver transplantation(ASPELT)score model can effectively predict the graft survival rate after liver transplantation in children,providing a simple and convenient evaluation method for clinicians and patients.

关键词： Allograft survival Nomogram Pediatric liver transplantation

Etiology and surgical treatment of hilar bile duct stricture

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Hepatobiliary & Pancreatic Diseases International 2003年第4期2卷 587-593页

作者： Zhen-Ping He Wen-Lin Hou Ping Bie Jia-Hong Dong shu-guang wang Ben-Li Han Jin-Xiu Cai Zhi-Hua Li Ping Chen Kuan-Sheng Ma shu-Guo Zheng Institute of Hepatobiliary Surgery Southwest Hospital Third Military Medical University Chongqing 400038 China. hezhenping@***

OBJECTIVE: To improve the surgical effects of hilar duct ***: The clinical data of 76 patients with hilar bile duct stricture treated at our hospital from1990 to 2000 were analyzed. The diagnosis was determined by triad signs of cholangitis, increase of ALPand γ-GGT levels, dilation of intrahepatic and extrahepatic bile ducts confirmed by ultrasonography(US), computed tomography (CT), percutaneous transhepatic cholangiography (PTC) or endoscopicretrograde cholangiopancreatography (ERCP). The location of stricture was divided according to theBismuth classification ***: Among the 76 patients, 46 (60.5%) suffered from injurious stricture, including 13% ofBismuth type Ⅰ, 39% of type Ⅱ, 19.4% of type Ⅲ, and 28.2% of type Ⅳ. Inflammatory stricture wasfound in 28 patients, locating in the left hepatic duct (LHD) 46.4% (13/28), the right hepatic duct(RHD) 35.7% (10/28), and the common hepatic duct (CHD) 17.9% (5/28), respectively. Thepercentages of patients with stricture due to Mirizzi’s syndrome, bile duct cyst, and sclerosingcholangitis were 9.2%, 3.9% and 2.6%, respectively. Bile duct repair procedures included biliaryreconstruction with pedicled umbilical vein graft for 9.2% of the patients, and proximalcholangiojejunostomy combined with LHD and RHD plasticity for 92.2% Seventy of the 76 patients werefollowed up for 2-10 years, and the excellent outcome rate was 94.7%.CONCLUSIONS: Injurious stricture is the major type of hilar bile duct stricture. Inflammatory strictureis mainly composed of RHD. Hilar bile duct stricture should be treated surgically according to variousetiological features and technical principles of biliary repair.

关键词： stricture bile duct operation repair