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Article
Aqueous Degradation of Flumequine Induced by Hydroxyl and Sulfate Radicals: A Theoretical Research
Density functional theory (DFT) calculation at the M06-2X/6-311+G(d,p) level was carried out to investigate aqueous degradation reactions of neutral and anionic forms of flumequine (FLU(N) and FLU(A)) induced by ...
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Article
Photocatalytic degradation of ofloxacin by ZnO combined with persulfate under simulated solar light irradiation: performance, kinetics and degradation pathways
In the present research, ofloxacin (OFL) degradation using ZnO photocatalyst combined with persulfate (PS) under simulated sunlight was examined. The effects of some key parameters including ZnO dosage, initia...
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Article
Density functional theory investigation on aqueous degradation mechanism of norfloxacin initiated by hydroxyl radical
Aqueous degradation mechanism of norfloxacin (NOR) initiated by hydroxyl radical (•OH) was investigated employing density functional theory (DFT) calculation. The most favorable degradation pathways were determin...
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Article
Photodegradation of Sulfamethoxypyridazine in UV/Co(II)/Peroxymonosulfate System: Kinetics, Influencing Factors, Degradation Pathways, and Toxicity Assessment
Sulfonamides (SAs) including sulfamethoxypyridazine (SMP) are regarded as a new type of persistent pollutant at present due to their abuse. In this work, the direct photodegradation behavior of 11 SAs under si...
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Article
Comparative Theoretical Study on the Reactivity of Digermenes and Disilenes in Addition Reactions
Density functional theory (DFT) calculations at the M06-2X/6-311+G(3df,2p) level were carried out to study the mechanism, potential energy surface and substituent effect of the addition reactions of H2O toward di...
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Article
Computational Study on the Atmospheric Oxidation Mechanism of 6-Chlorobenzo[a]pyrene Initiated by OH Radicals
Density functional theory (DFT) calculations at the MPWB1K/ 6-311+G(3df,2p) level were performed to study OH-initiated atmospheric oxidation reactions of 6-chlorobenzo[a]pyrene (6-ClBaP). The rate constants for k...
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Article
Open AccessA cross-sectional study on factors associated with hypertension and genetic polymorphisms of renin-angiotensin-aldosterone system in Chinese hui pilgrims to hajj
Hypertension is the leading risk factor for cardiovascular disease (CVD), however, the studies on lifestyle and genetic risks in Chinese pilgrims to Hajj was limited. The aim of this study is to examine the pr...
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Article
Effect of Coordination of Germabenzenes to Cr(CO)3 on Their 1,2- and 1,4-Addition Reactions with Water
The mechanism and potential energy surface of the 1,2- and 1,4-addition reactions between germabenzenes and H2O were investigated by using density functional theory (DFT) calculations at the MPW1K/6-311++G(d,p) l...
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Article
Addition Reactions of H2O to Germastannenes: A Computational Study
By using density functional theory (DFT)-B3LYP method, the mechanism and energetics of the addition reactions of H2O to germastannenes (H2Ge=SnH2 and Ph2Ge=SnPh2) have been theoretically studied. The computed res...
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Article
Municipal solid waste management in China: a comparative analysis
This paper illustrates an overview of the past and present MSWM strategies in China. A comparison is made with MSWM in China, and other developed and develo** countries to identify and analyze the problems o...
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Article
Effects of phosphorus concentration on Cr(VI) sorption onto phosphorus-rich sludge biochar
To investigate effects of phosphorus content on Cr(VI) sorption onto phosphorus-rich biochar, sewage sludge of different phosphorus concentrations from 4 to 60 mg·g−1 by dry weight were prepared and carbonized to...
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Chapter and Conference Paper
A Correcting Method for Article Error in English Essays of Chinese Students Based on Hybrid Features Classification
This paper presents a method for automatic article identification and correction in writing by Chinese learners of English. We train on one million noun phrases extracted from a corpus of published textbooks. ...
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Chapter
Advances in Computer Vision, Graphics, Image Processing and Pattern Recognition Techniques for MR Brain Cortical Segmentation and Reconstruction: A Review Toward functional MRI (fMRI)
The importance of 2-D and 3-D brain segmentation has increased tremendously due to the recent growth in functional MRI (fMRI), perfusion-weighted imaging, diffusion-weighted imaging, volume graphics, 3-D segme...
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Chapter and Conference Paper
Segmentation and measurement of the cortex from 3D MR images
The cortex is the outermost thin layer of gray matter in the brain; geometric measurement of the cortex helps in understanding brain anatomy and function. In the quantitative analysis of the cortex from MR ima...
