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The adsorption effect of aquaculture residual feed on heavy metals and its impact on microbial metabolism of feed

Ecological Processes 2024年第2期13卷 246-259页

作者： Sufeng Wang Zijng Wang Wen Zhang Jingshan Li Mingyang Lin Li Chen State Key Laboratory of Metastable Materials Science and Technology Hebei Key Laboratory of Heavy Metal Deep-Remediation in Water and Resource Reuse Yanshan University Key Laboratory of Pollution Exposure and Health Intervention of zhejiang Province College of Biology and Environmental EngineeringZhejiang Shuren University Hebei Ocean & Fisheries Science Research Institute

Background Intensive and large-scale aquaculture has a high biological density, and a large amount of artificial feed must be provided. As a result, residual feed would be discharged into natural water bodies with water exchange. Due to heavy metal pollution in surface water, residual feed may adsorb heavy metals in the water, affecting the subsequent microbial degradation of feed and the restoration of the water environment. The combined ecological impacts of these two types of pollution urgently need to be *** This study explored the adsorption effect of residual feed on heavy metals and its impact on microbial degradation of residual feed. The results showed that both the insoluble component（mainly fiber, ash, and ether extract, abbreviated as FAE） and soluble component（soluble protein and starch） of the feed had adsorption effects on heavy metals. As the salinity increased, the adsorption capacity of Cu2+and Cd2+decreased, while the adsorption effect on Pb2+was not changed significantly. The adsorption of heavy metals by residual feed could affect the biological degradation of residual feed. The residual feed could adsorb heavy metals and bacterial cells simultaneously, forming FAE-B（bacteria）-S（starch）-Pr（protein）-metal adsorption complex. This adsorption effect could reduce the negative impact of heavy metals on microbial degradation of residual feed. The simulated degradation experiments in actual water bodies also confirmed this. However, the accumulation of heavy metals in residual feed may bring negative effects, such as being consumed by aquatic organisms and entering the food *** The results of this study provide a basis for the collection and centralized treatment of residual feed in aquaculture, as well as the control and remediation of residual feed pollution in natural water bodies.

关键词： Residual feed Adsorption complex Feed pollution Heavy metal

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Visible-light-enabled multicomponent synthesis of trifluoromethylated 3-indolequinoxalin-2(1H)-ones without external photocatalysis

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Green Synthesis and Catalysis 2024年第1期5卷 51-56页

作者： Letian Zhang Kai Zheng Pengfei Zhang Min Jiang Jiabin Shen Chao Chen Chao Shen Key Laboratory of Pollution Exposure and Health Intervention of zhejiang Province College of Biology and Environmental EngineeringZhejiang Shuren UniversityHangzhou 310015China college of Petroleum Chemical Industry Changzhou UniversityChangzhou 213164China college of Material Chemistry and Chemical EngineeringKey Laboratory of Organosilicon Chemistry and Material TechnologyMinistry of EducationHangzhou Normal UniversityHangzhou 311121China

A novel and sustainable visible-light-enabled multicomponent reaction involving quinoxalin-2(1H)-ones,indoles,and CF3SO2Na that does not require an external photocatalyst is *** photoinduced reaction employs air as the sole oxidant,thereby providing a green and highly step-efficient approach to a series of biologically important trifluoromethylated 3-indolequinoxalin-2(1H)-ones.

关键词： Visible-light-catalysis Three-component reaction Trifluoromethylation Quinoxalin-2(1H)-Ones Indoles

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Theoretical Study of the Iodine-catalyzed Nucleophilic Addition by Halogen Bond

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Chinese Journal of Structural Chemistry 2007年第10期26卷 1189-1195页

作者：王艳花申屠超童建颖 college of biology and Environment engineering.of zhejiang shuren university

The iodine-catalyzed nucleophilic addition of pyrrole to acetone has been studied by density functional theory at the level of Lanl2DZ＊. It has been shown that the first iodine molecule appears to have a remarkable catalytic effect on this reaction by halogen bond between carbonyl oxygen and iodine molecule, but the second one does not improve the reaction largely. In general, the nucleophilic addition at the C（2） site of pyrrole is more favorable than that at the C（3） site; however, this trend is not prominent or even changed in acetronitrile solvent for the indole system, which is consistent with the experimental result by Bandgar.

关键词： halogen bond catalytic effect nueleophilie addition density functional theory

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Prediction of Infinite Dilution Activity Coefficients of Halogenated Hydrocarbons in Water

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Chinese Journal of Structural Chemistry 2008年第4期27卷 491-497页

作者：许惠英闵剑青 college of biology & Environment engineering Zhejiang Shuren University

Geometrical optimization and electrostatic potential calculations have been performed for a series of halogenated hydrocarbons at the HF/Gen-6d level. A number of electrostatic potentials and the statistically based structural descriptors derived from these electrostatic potentials have been obtained. Multiple linear regression analysis and artificial neural network are employed simultaneously in this paper. The result shows that the parameters derived from electrostatic 2 potentials σtot^2, V s and ∑ Vs^＋, together with the molecular volume （Vine） can be used to express the quantitative structure-infinite dilution activity coefficients （γ^∞） relationship of halogenated hydrocarbons in water. The result also demonstrates that the model obtained by using BFGS quasiNewton neural network method has much better predictive capability than that from multiple linear regression. The goodness of the model has been validated through exploring the predictive power for the external test set. The model obtained via neural network may be applied to predict γ^∞ of other halogenated hydrocarbons not present in the data set.

关键词： halogenated hydrocarbons molecular electrostatic potentials infinite dilution activity coefficients (γ^∞) QSPR artificial neural networks

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Microwave Assistant Synthesis,Crystal Structure and Biological Activity of 1-(2-Fluorobenzyl)-3-methoxy-4-methyl-1H-1,2,4-triazol-5(4H)-one

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Chinese Journal of Structural Chemistry 2015年第11期34卷 1659-1664页

作者：雷超申屠超 college of biology and Environmental engineering Zhejiang Shuren University

The title compound 1-（2-fluorobenzyl）-3-methoxy-4-methyl-lH-1,2,4-triazol- 5（4H）-one （CI1HI2FN302） was synthesized, and its structure was confirmed by 1H NMR, IR, MS, elemental analysis and X-ray diffraction. It crystallizes in the monoclinic system, space group Pi with a = 6.919（3）, b = 8.525（4）, c = 9.811（4） A, a = 84.22（2）, β = 71.028（19）, γ = 86.10（2）°, Dc = 1.448 g/cm3, Z = 2, V= 544.2（4） A3, F（000） = 248, the final R = 0.0379 and WR = 0.0913 for 1709 observed reflections with I〉 2σ（I）. The preliminary biological test shows that the title compound shows weak inhibitory activities against Phytophthora infestans, Botrytis cinerea, Corynespora cassiicola, Rhizoctonia solani and Pythium ultimum.

关键词： 1,2,4-triazole synthesis crystal structure fungicidal activities

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Synthesis,Crystal Structure and Antifungal Activity of N-((2,6-Difluorophenyl)carbamoyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide

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Chinese Journal of Structural Chemistry 2017年第10期36卷 1667-1672页

作者：孙娜波翟志文沈钟华翁建全谭成侠刘幸海韩亮 college of biology and Environmental engineering Zhejiang Shuren University college of Chemical engineering Zhejiang University of Technology

The title compound N-（（2,6-difluorophenyl）carbamoyl）-1,3-dimethyl-1 H-pyrazole-4-carboxamide（C13H12F2N4O2） was synthesized, and its structure was confirmed by ^1H NMR,HRMS and X-ray diffraction. It crystallizes in the monoclinic system, space group P21/c with a = 9.50（2）, b = 10.11（2）, c = 14.07（3） A^°, β = 102.15（3）°, Dc = 1.480 g/cm^3, Z = 4, V = 1320（5） A^°3, the final R = 0.0789 and wR = 0.1860 for 1054 observed reflections with I 〉 2σ（I）. The preliminary biological test shows that the title compound has weak antifungal activities.

关键词： pyrazole acyl urea, synthesis, crystal structure, antifungal activities

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Determination of zidovudine using anion exchange chromatography with integrated pulsed amperometric detection

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Chinese Chemical Letters 2012年第6期23卷 715-718页

作者： Yu Chen Yu Xiu Liu Zhi Dong Chen Mei Lan Chen Yan Zhu Hangzhou Vocational and Technical college Hangzhou 310018 China School of Chemistry and Chemical engineering Changzhou University Changzhou 213164 China college of biology and envinonment engineering. zhejiang shuren university l-langzhou 310015 China Department of Chemistry Zhejiang University Hangzhou 310028 China

A rapid and practical method for direct detection of zidovudine in high performance anion exchange chromatography （HPAEC） has been developed with integrated pulsed amperometric detection （IPAD）. Dionex AS18 （250mm × 2mm） and AG18 （50 mm× 2 mm） columns and 11 mmol/L NaOH solution were used for separation. Multi-step potential waveform parameters were optimized to maximize the signal-to-noise ratio （S/N）. Utilizing an optimized waveform, the repeatability （intra-day） precision and intermediate （inter-day） precision are obtained with relative standard deviation （RSD） of 1.88, 2.27, respectively. The limit of quantification （LOQ） and limit of detection （LOD） were found to be 9.70, 3.0 ng/mL, respectively, with correlation coefficients of 0.9992 over concentration range 0.01-10 μg/mL. The present method was successfully applied to the determination of zidovudine in human plasma. The recoveries of plasma sample spiked by 0.7 μg/mL, 2.7 μg/mL obtained were 95.3-101.5%, with relative standard deviation （RSD） of 2.54%, 2.21%, respectively.

关键词： Zidovudine AIDS Integrated pulsed amperometry High performance anion exchange chromatography Plasma

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Separation of Aromatic Carboxylic Acids in IC and the Study on the Relationship Between Retention Behavior and Electrostatic Potential

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Chinese Journal of Structural Chemistry 2010年第4期29卷 641-646页

作者：王艳花韩小江陈雪松李立朱岩 college of biology and Environment engineering Zhejiang Shuren University Department of Chemistry Zhejiang University

A method has been developed for separation of 20 kinds of aromatic carboxylic acid using anion-exchange chromatography. A Dionex IonPac AS9-HC guard column （250mm×2mm） was used with a 9mmol/L sodium carbonate solution containing 50% （v/v） acetonitrile as eluent. A set of retention time data has been obtained using a conductivity detector DS6. Furthermore, geometrical optimization and electrostatic potential calculation of 20 kinds of aromatic carboxylic acid have been performed at the HF/6-31G＊ level of theory. A number of statistically-based parameters derived from molecular surface electrostatic potential have been obtained. Linear relationship between retention time and structural parameters has been established by multiple regression method. The result shows that parameters derived from electrostatic potential Vs ＋, Vs -, П together with the dipole moment μ can be well used to express the quantitative structure-retention time of this kind of aromatic carboxylic acid. Good predictive capability has also been demonstrated. The result has provided a framework which further proves the general applicability of this electrostatic potential parameter set to a great extent,and with which the ion chromatographic adsorption mechanism can be investigated.

关键词： Ion chromatography Retention time QSRR molecular electrostatic potential aromatic carboxylic acid

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Predictive and Comparative Study of Chromatographic Retention Index for 75 Chloronaphthalene Congeners

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Chinese Journal of Structural Chemistry 2009年第10期28卷 1242-1250页

作者：许惠英陈雪松李成平张建英 college of biology & Environment engineering Zhejiang Shuren University college of Environmental Science and Resources Zhejiang University

Chloronaphthalenes （PCNs, polychlorinated naphthalenes） are a group of persistent environmental pollutants. In the present study, geometrical optimization and electrostatic potential calculations have been performed for all 75 PCNs at the HF/6-31G^＊ level of theory. A number of statistic based parameters have been extracted. Linear relationships between gas-chromatographic retention index （RI） of 62 PCNs in a non-polar column （DB-5） and the structural descriptors have been established by stepwise multiple regression technique. The result shows that two quantities derived from electrostatic potential on molecular surface, ∑Vs- and σ＋^2, together with the number of chlorine （ NCl ） and the energy of the highest occupied molecular orbital （EHOMO） can be well used to express the quantitative structure-retention relationship （QSRR） of PCNs. Predictive capability of the model has been demonstrated by leave-one-out cross-validation with the cross-validated correlation coefficient （Rcv^2） of 0.997, and further compared with the results from similar researches published recently. Furthermore, when splitting the 62 PCNs into training and validation sets in the ratio of 2：1, a similar treatment yields an equation of almost equal statistical quality and very similar regression coefficients, validating the robustness and prediction capability of our model. The QSRR model established may provide a new powerful method for predicting chromatographic properties of polychlorinated naphthalenes.

关键词： chloronaphthalenes (PCNs) molecular surface electrostatic potential QSRR

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Surface Electrostatic Potentials of Polychlorinated Dibenzo-p-dioxins and Their Applications in the Quantitative Structure-properties Relationships

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Chinese Journal of Structural Chemistry 2011年第6期30卷 793-798页

作者：许惠英王维柴水英 college of biology & Environment engineering.zhejiang shuren university Center of Modern Education Technology Zhejiang Shuren University Zhenhai Environmental Monitoring Station

Polychlorinated dibenzo-p-dioxins（PCDDs） are a group of important persistent organic *** are highly toxic and persistent in *** the present study,geometrical optimization and electrostatic potential calculations have been performed for 75 PCDD congeners and dibenzo-p-dioxin（DD） at the HF/6-31G＊ level of theory.A number of statistically based parameters have been *** relationships between vapor pressures（logpL）,aqueous solubilities（logSw）,n-octanol/water partition coefficients（logKow） of PCDDs and structural descriptors have been established by stepwise linear regression *** result shows that the quantities derived from the surface electrostatic potentials Vmin,Π,and Vs,av＋,together with Vmc（the molecular volume） and ELUMO（the energy of the lowest unoccupied molecular orbital） can be well used to express the quantitative structure-property relationships of *** capabilities of the models have also been demonstrated by leave-one-out cross-validation with the cross-validated correlation coefficient（Rcv） above *** on these QSPR models,the predicted values have been presented for those PCDD congeners whose experimentally determined physicochemical properties are unavailable.

关键词： QSPR polychlorinated dibenzo-p-dioxin molecular electrostatic potential

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