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Overview of the quality standard research of traditional Chinese medicine

Huimin Gao, Zhimin Wang, Yujuan Li, Zhongzhi Qian

《医学前沿（英文）》 2011年第5卷第2期页码 195-202 doi: 10.1007/s11684-011-0134-x

摘要： Traditional Chinese medicine (TCM) has been widely used for the prevention and treatment of various diseases for a long time in China. Due to its proven efficacy, wide applications, and low side effect, TCM has increasingly attracted worldwide attention. However, one of the biggest challenges facing the clinical practice of TCM is the uncontrollable quality. In this review, the progress of the development and the current status of quality standard as well as new quality control techniques introduced in (2010 edition), such as liquid chromatography hyphenated mass spectrometry (LC-MS), fingerprint, quantitative analysis of multi-components by single-marker (QAMS), thin layer chromatography bio-autographic assay (TLC-BAA), and DNA molecular marker technique, are briefly overviewed.

关键词： traditional Chinese medicine quality standard quality control quantitative analysis of multi-components by single-marker

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A computational toolbox for molecular property prediction based on quantum mechanics and quantitative

《化学科学与工程前沿（英文）》 2022年第16卷第2期页码 152-167 doi: 10.1007/s11705-021-2060-z

摘要： Chemical industry is always seeking opportunities to efficiently and economically convert raw materials to commodity chemicals and higher value-added chemical-based products. The life cycles of chemical products involve the procedures of conceptual product designs, experimental investigations, sustainable manufactures through appropriate chemical processes and waste disposals. During these periods, one of the most important keys is the molecular property prediction models associating molecular structures with product properties. In this paper, a framework combining quantum mechanics and quantitative structure-property relationship is established for fast molecular property predictions, such as activity coefficient, and so forth. The workflow of framework consists of three steps. In the first step, a database is created for collections of basic molecular information; in the second step, quantum mechanics-based calculations are performed to predict quantum mechanics-based/derived molecular properties (pseudo experimental data), which are stored in a database and further provided for the developments of quantitative structure-property relationship methods for fast predictions of properties in the third step. The whole framework has been carried out within a molecular property prediction toolbox. Two case studies highlighting different aspects of the toolbox involving the predictions of heats of reaction and solid-liquid phase equilibriums are presented.

关键词： molecular property quantum mechanics quantitative structure-property relationship heat of reaction solid-liquid phase equilibrium

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太湖流域生态文明城市建设量化指标体系的初步研究

朱增银,李冰,高鸣,田爱军

《中国工程科学》 2010年第12卷第6期页码 131-136

摘要：

生态城市是现代城市达到自然、社会、经济三类子系统协调复合的唯一途径，生态文明城市是生态城市建设的高级阶段并开始成为我国城市环保工作的新潮流和新目标，建立一套成熟可行的生态文明城市量化指标体系具有重要意义。以太湖流域某城市的实践为例，在分析生态城市与生态文明内涵的基础上，结合城市复合生态系统和人类生态学理论，认为环保模范城市、生态市、生态文明市是我国生态城市建设工作的低、中、高三个层次和阶段，生态文明城市指标应具备先行成果的承续性和创新领域的先进性，以此提出太湖流域生态文明城市量化指标的设计原则、基本框架和建议指标。

关键词：生态文明指标体系量化太湖流域

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Quantitative research of incentive effects of heat-metering policy on energy-saving behavior in Tianjin

Jihong LING,Haitao MA,HuiZhu YU,Jincheng XING

《能源前沿（英文）》 2014年第8卷第4期页码 504-512 doi: 10.1007/s11708-014-0332-8

摘要： To promote energy efficiency and emission reduction, the Chinese government has invested large amounts of resources in heat-metering reform over the past decade. However, heat-metering, which can reduce energy consumption by 15% at least in developed countries, is still not well known in China. This paper quantitatively analyzed the arousal effect of heat-metering policy on occupancy behavior regarding energy saving utilizing statistics method based on measured data of heating energy consumption of approximately 20000 users from 2008 to 2012 in Tianjin. The statistical data showed significant difference on energy consumption between users based on metering and based on area. The energy-saving rate in the heating season increased significantly from 4.11% in 2008–2009 to 10.27% in 2011–2012 as the implement of the heat-metering policy. The difference in energy-saving according to various outdoor temperatures showed that the energy-saving of occupancy behavior was more significant in a warm season than in a cold season. It also showed that the impact of heat-metering policy would be more pronounced in generally insulated buildings (15.55%) than in better insulated units (6.45%). Besides, this paper proposed some feasible suggestions for the formulation and implementation of heat-metering policy in northern heating areas of China.

关键词： heat-metering occupancy behavior heating energy consumption policy

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数量工程技术在南京长江隧道工程中风险辨别及事故防范的应用研究

钱维,金先龙,沈建奇

《中国工程科学》 2008年第10卷第10期页码 22-30

摘要：

以南京长江隧道工程为背景，提出了基于数量工程技术的风险提示及事故防范方法，即运用数值仿真方法，借助超级计算机的并行计算能力，建立盾构机进出洞，盾构机穿越长江大堤及穿越江中最浅覆土层，两台盾构机同时施工影响，盾构机穿越复合土层等工程关键问题的数量分析模型。基于该模型，对地表沉降过大、盾构机姿态偏移、开挖面失稳等工程风险进行了提示；分析了风险产生的机理、后果；提出了事故防范的措施，评价和验证了防范措施的有效性和合理性。

关键词：南京长江隧道数量工程技术风险辨别与防范

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Erratum to: Using pyrosequencing and quantitative PCR to analyze microbial communities

Husen ZHANG

《环境科学与工程前沿（英文）》 2011年第5卷第3期页码 488-488 doi: 10.1007/s11783-011-0342-2

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Research on a quantificational method for chromatic-light emotions of architectural wall coatings in

Ting WANG, Ma JIAN, Gang LIU, Xiaoxi LIU, Mingyu ZHANG

《结构与土木工程前沿（英文）》 2010年第4卷第4期页码 498-502 doi: 10.1007/s11709-010-0096-0

摘要： Research on quantificational methods for chromatic-light emotion is an effective way of finding out the laws of light cognitive impact and the solution to the problem on application of light color in landscape lighting. This paper took chromatic-light-induced-emotion towards architectural wall coatings in landscape as the research object. The methods in use were real-state simulation and laboratory quantitative study. Consequently, the study successfully extracted light emotional factors and the rule of predictability to assist landscape light professionals.

关键词： landscape illumination architectural wall coatings chromatic-light emotion quantitative research

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Estimation of photolysis half-lives of dyes in a continuous-flow system with the aid of quantitative

Davoud BEIKNEJAD,Mohammad Javad CHAICHI

《环境科学与工程前沿（英文）》 2014年第8卷第5期页码 683-692 doi: 10.1007/s11783-014-0680-y

摘要： In this paper the photolysis half-lives of the model dyes in water solutions and under ultraviolet (UV) radiation were determined by using a continuous-flow spectrophotometric method. A quantitative structure-property relationship (QSPR) study was carried out using 21 descriptors based on different chemometric tools including stepwise multiple linear regression (MLR) and partial least squares (PLS) for the prediction of the photolysis half-life ( ) of dyes. For the selection of test set compounds, a K-means clustering technique was used to classify the entire data set, so that all clusters were properly represented in both training and test sets. The QSPR results obtained with these models show that in MLR-derived model, photolysis half-lives of dyes depended strongly on energy of the highest occupied molecular orbital ( ), largest electron density of an atom in the molecule ( ) and lipophilicity (log ). While in the model derived from PLS, besides aforementioned and descriptors, the molecular surface area ( ), molecular weight ( ), electronegativity ( ), energy of the second highest occupied molecular orbital ( ) and dipole moment ( ) had dominant effects on logt values of dyes. These were applicable for all classes of studied dyes (including monoazo, disazo, oxazine, sulfonephthaleins and derivatives of fluorescein). The results were also assessed for their consistency with findings from other similar studies.

关键词： dye photolysis half-life quantitative structure-property relationship continuous-flow stepwise multiple linear regression partial least squares

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Application of quantum chemical descriptors into quantitative structure-property relationship models

Yueping BAO, Qiuying HUANG, Wenlong WANG, Jiangjie XU, Fan JIANG, Chenghong FENG

《环境科学与工程前沿（英文）》 2011年第5卷第4期页码 505-511 doi: 10.1007/s11783-011-0318-2

摘要： Quantitative structure-property relationship (QSPR) models were developed for prediction of photolysis half-life ( ) of polychlorinated biphenyls (PCBs) in water under ultraviolet (UV) radiation. Quantum chemical descriptors computed by the PM3 Hamiltonian software were used as independent variables. The cross-validated value for the optimal QSPR model is 0.966, indicating good prediction capability for lg values of PCBs in water. The QSPR results show that the largest negative atomic charge on a carbon atom ( ) and the standard heat of formation (Δ ) have a dominant effect on values of PCBs. Higher values or lower Δ values of the PCBs leads to higher lg values. In addition, the lg values of PCBs increase with the increase in the energy of the highest occupied molecular orbital values. Increasing the largest positive atomic charge on a chlorine atom and the most positive net atomic charge on a hydrogen atom in PCBs leads to the decrease of lg values.

关键词： photolysis polychlorinated biphenyls (PCBs) quantitative structure-property relationships (QSPRs) quantum chemical descriptors

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Design and use of group-specific primers and probes for real-time quantitative PCR

Juntaek LIM, Seung Gu SHIN, Seungyong LEE, Seokhwan HWANG

《环境科学与工程前沿（英文）》 2011年第5卷第1期页码 28-39 doi: 10.1007/s11783-011-0302-x

摘要： Real-time quantitative polymerase chain reaction (qPCR) has gained popularity as a technique to detect and quantify a specific group of target microorganisms from various environmental samples including soil, water, sediments, and sludge. Although qPCR is a very useful technique for nucleic acid quantification, accurately quantifying the target microbial group strongly depends on the quality of the primer and probe used. Many aspects of conducting qPCR assays have become increasingly routine and automated; however, one of the most important aspects, designing and selecting primer and probe sets, is often a somewhat arcane process. In many cases, failed or non-specific amplification can be attributed to improperly designed primer-probe sets. This paper is intended to provide guidelines and general principles for designing group-specific primers and probes for qPCR assays. We demonstrate the effectiveness of these guidelines by reviewing the use of qPCR to study anaerobic processes and biologic nutrient removal processes. qPCR assays using group-specific primers and probes designed with this method, have been used to successfully quantify 16S ribosomal Ribonucleic Acid (16S rRNA) gene copy numbers from target methanogenic and ammonia- oxidizing bacteria in various laboratory- and full-scale biologic processes. Researchers with a good command of primer and probe design can use qPCR as a valuable tool to study biodiversity and to develop more efficient control strategies for biologic processes.

关键词： absolute quantification design guideline primer probe real-time quantitative polymerase chain reaction (qPCR)

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Quantitative analysis of CO

Xianbing LIU, Can WANG

《环境科学与工程前沿（英文）》 2009年第3卷第1期页码 12-19 doi: 10.1007/s11783-009-0011-x

摘要： The increasing volume of CO embodiment in international trade adds a layer of complexity to environmental policies and has raised arguments on the traditional production based responsibility for CO emissions. In order to help understand the quantity of CO embodiment in trade and its policy implications, this paper gives observations to recently emerging literatures that quantitatively discuss CO embodiment in trade. The analytical approaches share the principle of using input and output modeling but vary dramatically in study boundary and estimation accuracy. The calculations can be roughly categorized into three types: direct quantification of CO embodiments in multiregional trade, direct quantification of CO embodiment in bilateral trade, and indirect analysis by comparing the scenarios with or without trade. The practical estimations strongly rely on trade partner selection and data availability. An obvious imbalance of net CO embodiment in the commodity trade between major developed countries and developing economies as a whole was confirmed by these literatures. Carbon taxes and other possible limitations on CO emissions have been addressed. The consistency across the calculations could be enhanced by systematic analyses in more detail to convince the international community to take binding commitments for the reduction of global CO emissions.

关键词： CO₂ embodiment international trade quantitative estimation analytical approach

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Using pyrosequencing and quantitative PCR to analyze microbial communities

Husen ZHANG

《环境科学与工程前沿（英文）》 2011年第5卷第1期页码 21-27 doi: 10.1007/s11783-011-0303-9

摘要： New high-throughput technologies continue to emerge for studying complex microbial communities. In particular, massively parallel pyrosequencing enables very high numbers of sequences, providing a more complete view of community structures and a more accurate inference of the functions than has been possible just a few years ago. In parallel, quantitative real-time polymerase chain reaction (QPCR) allows quantitative monitoring of specific community members over time, space, or different environmental conditions. In this review, the principles of these two methods and their complementary applications in studying microbial ecology in bioenvironmental systems are discussed. The parallel sequencing of amplicon libraries and using barcodes to differentiate multiple samples in a pyrosequencing run are explained. The best procedures and chemistries for QPCR amplifications are also described and advantages of applying automation to increase accuracy are addressed. Three examples in which pyrosequencing and QPCR were used together to define and quantify members of microbial communities are provided: in the human large intestine, in a methanogenic digester whose sludge was made more bioavailable by a high-voltage pretreatment, and on the biofilm anode of a microbial electrolytic cell. The key findings in these systems and how both methods were used in concert to achieve those findings are highlighted.

关键词： polymerase chain reaction (PCR) microbial communities pyrosequencing gut microbial fuel cell sludge

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薄煤层刨煤机成套装备关键技术研究

宋秋爽

《中国工程科学》 2011年第13卷第11期页码 33-38

摘要：

针对薄煤层安全、经济开采这一世界性难题，分析我国薄煤层资源分布以及开采技术现状，提出我国刨煤机成套装备系统所存在的技术问题，通过对成套装备关键技术的分析及研究，提出技术解决方法和途径，为刨煤机的自动化工作面提供技术支持。

关键词：刨煤机成套装备定向定量推移异构地质自适应控制

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特长公路隧道取消变形缝试验研究

卓越,邹翀,闫自海

《中国工程科学》 2009年第11卷第7期页码 59-65

摘要：

结合包家山隧道的施工情况，利用数值模拟和现场试验两种方法，对设置变形缝和不设置变形缝两种工况下衬砌结构的受力、变形及安全性进行了对比分析。研究认为：a. 无论设置变形缝与否，隧道纵向的安全性要求均能满足。b. 对于隧道结构的横向安全性，不设置变形缝时，Ⅴ级围岩端的安全系数增加，Ⅳ级围岩端的安全系数减小，此时需要进行配筋；设置变形缝时，Ⅳ级和Ⅴ级围岩处的拱顶安全系数均较小，不能满足安全要求，此时需要进行配筋。

关键词：特长公路隧道变形缝定量指标数值模拟试验研究