10种黄酮类抗氧化剂活性差异的理论阐释

借助理论方法,包括结构－活性关系（ＳＡＲ）和最子化学计算阐释了１０种黄酮类抗氧化剂清除自由基活性的痉异。发现ＳＡＲ可以定性地解释抗氧化剂的活性差异。而半经验量子化学方法ＡＭＩ计算的理论参数△ＨＯＦ（抗氧化剂与其抽氢反应产生的自由基的和成热之差）可以对此给出进一步的解释。△ＨＯＦ与抗氧化清除自由基速率常数的对数还有一定相关性,相关系数为－０．７５２３。因此理论方法在解释抗氧化剂的活性差异方面是有效的     

关于数量化I方法的自变量之间交互作用计算

自变量之间存在交互作用时,在应用数量化方法Ｉ时如何计算自变量间的交互作用建立数量化方程．     

我国HEV废旧镍氢电池包中稀贵金属资源化利用环境效益分析

废旧动力电池包中含有丰富的镍、钴、稀土等稀贵金属,其资源化利用是实现混合动力汽车(Hybrid Electrical Vehicle,简称HEV)全生命周期绿色化管理的重要内容之一。随着HEV的不断发展,动力电池包在未来几年将逐渐进入批量报废阶段,其资源化利用的环境效益成为值得关注的问题。鉴于此,以丰田混合动力汽车镍氢电池包为研究对象,利用GREET模型和LIME值法测算出,相比于原生矿开采,单位废旧镍氢电池包中稀贵金属资源化利用所产生的环境效益为1083元;根据报废周期,对我国市场上现存的HEV镍氢电池包的未来报废情况进行预测。结果表明,这些电池包将从2018年开始迎来报废,在2021年达到报废高峰,至2024年基本完成报废;预计其稀贵金属资源化利用的环境效益,可累计达9421万元。提出了加强废旧动力电池回收体系和资源化利用体系建设的政策建议。     

Distribution,species composition and relative abundances of sandflies in North Waziristan Agency,Pakistan

This study was conducted to investigate the diversity of sandflies (Psychodidae: Phlebotominae) and the incidence of leishmaniasis in three villages of North Waziristan Agency, Pakistan. Sandflies were sampled monthly during 2012, at dusk and dawn, in selected indoor habitats including both bedrooms and animal sheds using a knock‐down spray catch method. A total of 3687 sandflies were collected, including 1444 individuals in Drezanda, 1193 in Damdil and 1050 in Dattakhel. This study revealed 14 species of two genera, Phlebotomus (Phlebotomus sergenti, Phlebotomus papatasi, Phlebotomus caucasicus, Phlebotomus kazeruni, Phlebotomus alexandri and Phlebotomus salehi) and Sergentomyia (Sergentomyia dentate, Sergentomyia baghdadis, Sergentomyia babu, Sergentomyia theodori, Sergentomyia sumbarica, Sergentomyia dreyfussitur kestanica, Sergentomyia hogsoni pawlowskyi and Sergentomyia fallax afghanica) (both: Diptera: Psychodidae). Phlebotomus sergenti was the most abundant species (42.1%), followed by S. dentata (17.7%) and S. baghdadis (17.4%). The number of males collected represented about twice that of female flies, and the maximum number was collected in July, followed by August. The determination of the species composition of sandfly populations, seasonal variations, relative abundances and estimations of infection in the vector population may provide information about the dynamics of leishmaniasis transmission that is useful in planning vector control activities.     

Development and validation of a weight-bearing finite element model for total knee replacement

Total knee arthroplasty (TKA) is a successful procedure for osteoarthritis. However, some patients (19%) do have pain after surgery. A finite element model was developed based on boundary conditions of a knee rig. A 3D-model of an anatomical full leg was generated from magnetic resonance image data and a total knee prosthesis was implanted without patella resurfacing. In the finite element model, a restarting procedure was programmed in order to hold the ground reaction force constant with an adapted quadriceps muscle force during a squat from 20° to 105° of flexion. Knee rig experimental data were used to validate the numerical model in the patellofemoral and femorotibial joint. Furthermore, sensitivity analyses of Young’s modulus of the patella cartilage, posterior cruciate ligament (PCL) stiffness, and patella tendon origin were performed. Pearson’s correlations for retropatellar contact area, pressure, patella flexion, and femorotibial ap-movement were near to 1. Lowest root mean square error for retropatellar pressure, patella flexion, and femorotibial ap-movement were found for the baseline model setup with Young’s modulus of 5 MPa for patella cartilage, a downscaled PCL stiffness of 25% compared to the literature given value and an anatomical origin of the patella tendon. The results of the conducted finite element model are comparable with the experimental results. Therefore, the finite element model developed in this study can be used for further clinical investigations and will help to better understand the clinical aspects after TKA with an unresurfaced patella.     

Chemical aspects of hydrogen sulfide measurements in physiological samples

Background

Owing to recent discoveries of many hydrogen sulfide-mediated physiological processes, sulfide biology is in the focus of scientific research. However, the promiscuous chemical properties of sulfide pose complications for biological studies, which led to accumulation of controversial observations in the literature.

Scope of review

We intend to provide an overview of fundamental thermodynamic and kinetic features of sulfide redox- and coordination-chemical reactions and protonation equilibria in relation to its biological functions. In light of these chemical properties we review the strengths and limitations of the most commonly used sulfide detection methods and recently developed fluorescent probes. We also give a personal perspective on blood and tissue sulfide measurements based on proposed biomolecule–sulfide interactions and point out important chemical aspects of handling sulfide reagent solutions.

Major conclusions

The diverse chemistries of sulfide detection methods resulted in orders of magnitude differences in measured physiological sulfide levels. Investigations that were aimed to dissect the underlying molecular reasons responsible for these controversies made the important recognition that there are large sulfide reserves in biological systems. These sulfide pools are tightly regulated in a dynamic manner and they are likely to play a major role in regulation of endogenous-sulfide-mediated biological functions and avoiding toxic side effects.

General significance

Working with sulfide is challenging, because it requires considerable amounts of chemical knowledge to adequately handle reagent sulfide solutions and interpret biological observations. Therefore, we propose that a rigorous chemical approach could aid the reconciliation of the increasing number of controversies in sulfide biology. This article is part of a Special Issue entitled Current methods to study reactive oxygen species - pros and cons and biophysics of membrane proteins. Guest Editor: Christine Winterbourn.     

Investigating the degradation behavior of Cypermethrin (CYP) and Chlorpyrifos (CPP) in peach orchard soils using organic/inorganic amendments

Reducing toxic effects of pesticide residues in agricultural soils through organic amendments is an eco-friendly technique. Cypermethrin (CYP) and Chlorpyrifos (CPP) are widely used pesticides in peach growing orchards in Swat valley of Pakistan. The aim of the current study was to investigate the degradation behavior of CYP and CPP in soil by the application of different combination of organic/inorganic amendments. A total of 36 soil samples were used in the current incubation study which was collected from 4 peach orchards in district Swat, Khyber Pakhtunkhwa (KPK), Pakistan. Different amendments including urea, farm yard manure (FYM) and saprofil were applied alone and in various combinations. The initial concentrations of CYP and CPP in the tested soil was range from 0.94 to 4.8 mg kg⁻¹ and 0.024 to 4.12 to mg kg⁻¹. Soil samples were taken at 5, 15, 30 and 45 days after exposure to different treatments. The extraction of pesticides from soils was done through quick, easy, cheap, effective, rugged, and safe (QuEChERS) extraction method. Soils amended with urea, FYM and saprofil individually and in combinations significantly reduced the concentrations of CYP and CPP. However, the concentration of CYP (24.6) and CPP (27.0) in soil showed higher reduction through the application of FYM. While the concentrations of CYP and CPP were declined with the 5, 15, 30 and 45 days intervals, however, reduction at day 30 and 45 was faster for CYP (16.7 to 8.46) than CPP (20.2 to 12.3). At day 5 and 15, the CYP (42.5 to 30.7) was slightly lower than CPP (42.9 to 32.7).The highest half-life value (t ½) of CYP was in control treatment (32 days) and the shortest was soil amended with FYM (18.6 days). While the longest half-life value (t ½) of CPP was maximum in control treatment (42 days) and the minimum was in FYM (22 days). Based on our findings, it was concluded that soil application of FYM is recommended for the degradation of CYP and CPP.     

Sann: solvent accessibility prediction of proteins by nearest neighbor method

We present a method to predict the solvent accessibility of proteins which is based on a nearest neighbor method applied to the sequence profiles. Using the method, continuous real-value prediction as well as two-state and three-state discrete predictions can be obtained. The method utilizes the z-score value of the distance measure in the feature vector space to estimate the relative contribution among the k-nearest neighbors for prediction of the discrete and continuous solvent accessibility. The Solvent accessibility database is constructed from 5717 proteins extracted from PISCES culling server with the cutoff of 25% sequence identities. Using optimal parameters, the prediction accuracies (for discrete predictions) of 78.38% (two-state prediction with the threshold of 25%), 65.1% (three-state prediction with the thresholds of 9 and 36%), and the Pearson correlation coefficient (between the predicted and true RSA's for continuous prediction) of 0.676 are achieved An independent benchmark test was performed with the CASP8 targets where we find that the proposed method outperforms existing methods. The prediction accuracies are 80.89% (for two state prediction with the threshold of 25%), 67.58% (three-state prediction), and the Pearson correlation coefficient of 0.727 (for continuous prediction) with mean absolute error of 0.148. We have also investigated the effect of increasing database sizes on the prediction accuracy, where additional improvement in the accuracy is observed as the database size increases. The SANN web server is available at http://lee.kias.re.kr/~newton/sann/.     

生物炭对菜园土壤微生物功能多样性的影响

研究生物炭的施用及其与不同肥料混施对菜园土壤中微生物群落功能多样性的影响,为农业废弃物的合理利用和菜园土优化培肥提供科学依据和理论指导。以清远市连州县代表性菜园土(属肥熟旱耕人为土)为研究对象,通过盆栽试验,利用BIOLOG方法对10个施肥处理(对照CK(0%生物碳+无肥)、T1(0%生物碳+0.1%商品有机肥)、T2(0.1%生物碳+无肥)、T3(0.25%生物碳+无肥)、T4(0.5%生物碳+无肥)、T5(1%生物碳+无肥)、T6(100(N)+30(P_2O_5)+75(K_2O)mg/kg干土)、T7(0.1%生物碳+0.1%商品有机肥)、T8(0.1%生物碳+100(N)+0(P_2O_5)+75(K_2O)mg/kg干土)、T9(0.1%生物碳+100(N)+30(P_2O_5)+75(K_2O)mg/kg干土)、T10(0.1%生物碳+0.1%商品有机肥+100(N)+0(P_2O_5)+75(K_2O)mg/kg干土))的土壤微生物群落功能多样性进行分析。结果表明:(1)T1和T3处理比其它处理显著提高土壤微生物对碳源的利用率(P0.05),但生物炭施用量增加会降低平均颜色变化率(AWCD值);(2)T1处理可以显著提高土壤微生物的群落物种均匀度(Mclntosh指数),而T3处理显著提高土壤微生物的物种丰富度和均匀度(Shannon和Mclntosh指数);(3)T1和T3处理对聚合物类、碳水化合物类、羧酸类、氨基酸类和酚类碳源利用率最高;(4)添加化肥处理中磷肥的施用可以提高土壤微生物活性,增加土壤微生物碳源利用能力,而氮肥和钾肥的添加显著降低了土壤微生物的碳源利用能力;(5)主成分分析表明,T1、T2和T3处理的微生物碳代谢功能群结构相似;单施有机肥或适量生物炭对土壤微生物群落结构的影响较混合施用更为显著;化学磷肥的添加及在施用化肥的基础上配施适量生物炭改变了土壤微生物对碳源种类的利用。     

旋转向量场中的阶二周期解

建立了一类具有状态脉冲控制的害虫控制模型以及一类特殊模型,根据半连续动力系统几何理论,研究了旋转向量场中阶二周期解的存在性和稳定性及变化规律.为现实的生物资源管理提供了可靠的策略依据,也丰富了半连续动力系统理论.