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中医理论研究；临床优势评价；中药资源开发与利用；中药智能制造；中医药走向国际 1

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Synthesis of mono and bis-4-methylpiperidiniummethyl-urea as corrosion inhibitors for steel in acidic media

Abbas TEIMOURI, Nasrin SOLTANI, Alireza Najafi CHERMAHINI

《化学科学与工程前沿（英文）》 2011年 第5卷 第1期   页码 43-50 doi: 10.1007/s11705-010-0532-7

摘要： Mono and bis-4-methylpiperidiniummethyl urea were synthesized, characterized and used as new corrosion inhibitors of mild steel in the acidic media. Inhibitory effect of two compounds on mild steel surface in the 1 mol·L sulphuric acid has been studied by a series of techniques, such as potentiodynamic polarization, weight loss and quantum chemical calculation methods. Potentiodynamic polarization measurements showed that two inhibitors are mixed type. All measurements showed that inhibition efficiencies enhanced with increase of inhibitor concentration. This reveals that inhibitive actions of inhibitors were mainly due to adsorption on mild steel surface. Density functional (DFT) calculations have been carried out for the title compounds by performing HF and DFT levels of theory using the standard 6-31G* basis set.

关键词： corrosion inhibitors     mild steel     acidic medium     theoretical studies     DFT    

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A review on different theoretical models of electrocaloric effect for refrigeration

《能源前沿（英文）》 2023年 第17卷 第4期   页码 478-503 doi: 10.1007/s11708-023-0884-6

摘要： The performance parameters for characterizing the electrocaloric effect are isothermal entropy change and the adiabatic temperature change, respectively. This paper reviews the electrocaloric effect of ferroelectric materials based on different theoretical models. First, it provides four different calculation scales (the first-principle-based effective Hamiltonian, the Landau-Devonshire thermodynamic theory, phase-field simulation, and finite element analysis) to explain the basic theory of calculating the electrocaloric effect. Then, it comprehensively reviews the recent progress of these methods in regulating the electrocaloric effect and the generation mechanism of the electrocaloric effect. Finally, it summarizes and anticipates the exploration of more novel electrocaloric materials based on the framework constructed by the different computational methods.

关键词： electrocaloric effect     effective Hamiltonian     phase-field modeling     different theoretical models    

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Genome-wide association studies: inherent limitations and future challenges

null

《医学前沿（英文）》 2012年 第6卷 第4期   页码 444-450 doi: 10.1007/s11684-012-0225-3

摘要：

Genome-wide association studies (GWAS) have achieved great success in identifying genetic variants related to complex human diseases such as cancer and have provided valuable insights into their genetic architecture. Recently, GWAS is quite the fashion in China. However, there are issues related to its nature. Enormous work needs to be done in the post-GWAS era. Deep sequencing followed by functional studies will be needed to elucidate the underpinning biological mechanisms and further translate GWAS findings into medical practice. Along with pharmacogenomics, the success of GWAS in identifying genetic risk factors and genetic differences in drug response has been gradually enabling personalized medicine. In this article, we used hepatocellular carcinoma (HCC) as an example to demonstrate some of the inherent limitations and summarized future challenges of GWAS.

关键词： genome-wide association studies (GWAS)     genetic variant     cancer     limitation     challenge    

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Genomic and pharmacogenetic studies of childhood acute lymphoblastic leukemia

null

《医学前沿（英文）》 2015年 第9卷 第1期   页码 1-9 doi: 10.1007/s11684-015-0381-3

摘要：

With the cure rate of childhood acute lymphoblastic leukemia (ALL) approaching 90%, further improvement in the treatment outcome and quality of life of patients will require better understanding of the mechanisms of drug resistance, identifying new leukemic cell genetic lesions that are amendable to available target therapy, and optimizing treatment based on host pharmacodynamics and pharmacogenomics. Deeper characterization of leukemic cell genetic abnormalities has discovered new subtypes of leukemia such as early T-cell precursor ALL and Philadelphia chromosome-like ALL, and identified many genomic alterations that have diagnostic, prognostic, or therapeutic implications. In this regard, several novel fusion transcripts are responsive to ABL tyrosine kinase inhibitors and potentially to JAK inhibitors. Genome-wide analyses have also unraveled the role of inherited cancer predisposing genes and small nucleotide polymorphisms of several genes in the development of childhood ALL. These advances promise to lead to more sophisticated personalized treatment strategies in the near future.

关键词： pharmacogenomics     acute lymphoblastic leukemia     genomics     pharmacogenetics    

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NOx removal by non-thermal plasma reduction: experimental and theoretical investigations

《化学科学与工程前沿（英文）》 2022年 第16卷 第10期   页码 1476-1484 doi: 10.1007/s11705-022-2165-z

摘要： Green and efficient NOx removal at low temperature is still desired. NOx removal via non-thermal plasma (NTP) reduction is one of such technique. This work presents the experimental and theoretical study on the NOx removal via NTP reduction (NTPRD) in dielectric barrier discharge reactor (DBD). The effect of O2 molar fraction on NOx species in the outlet of DBD, and effects of NH3/NO molar ratio and discharge power of DBD on NOx removal efficiency are investigated. Results indicate that anaerobic condition and higher discharge power is beneficial to direct removal of NOx, and the NOx removal efficiency can be up to 98.5% under the optimal operating conditions. It is also found that adding NH3 is favorable for the reduction of NOx to N2 at lower discharge power. In addition, the NOx removal mechanism and energy consumption analysis for the NTPRD process are also studied. It is found that the reduced active species ( N∗, N−, N+, N2∗, NH2+, etc.) generated in the NTPRD process play important roles for the reduction of NOx to N2. Our work paves a novel pathway for NOx removal from anaerobic gas in industrial application.

关键词： ${\rm{NO}}_x $ removal     NTP reduction     mechanism     energy consumption    

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Thermal transport properties of monolayer phosphorene: a mini-review of theoretical studies

Guangzhao QIN, Ming HU

《能源前沿（英文）》 2018年 第12卷 第1期   页码 87-96 doi: 10.1007/s11708-018-0513-y

摘要： Phosphorene, a two-dimensional (2D) elemental semiconductor with a high carrier mobility and intrinsic direct band gap, possesses fascinating chemical and physical properties distinctively different from other 2D materials. Its rapidly growing applications in nano-/opto-electronics and thermoelectrics call for fundamental understanding of the thermal transport properties. Considering the fact that there have been so many studies on the thermal transport in phosphorene, it is on emerging demand to have a review on the progress of previous studies and give an outlook on future work. In this mini-review, the unique thermal transport properties of phosphorene induced by the hinge-like structure are examined. There exists a huge deviation in the reported thermal conductivity of phosphorene in literature. Besides, the mechanism underlying the deviation is discussed by reviewing the effect of different functionals and cutoff distance in calculating the thermal transport properties of phosphorene. It is found that the (vdW) interactions play a key role in the formation of resonant bonding, which leads to long-ranged interactions. Taking into account of the vdW interactions and including the long-ranged interactions caused by the resonant bonding with large cutoff distance are important for getting the accurate and converged thermal conductivity of phosphorene. Moreover, a fundamental insight into the thermal transport is provided based on the review of resonant bonding in phosphorene. This mini-review summarizes the progress of the thermal transport in phosphorene and gives an outlook on future horizons, which would benefit the design of phosphorene based nano-electronics.

关键词： thermal transport     phosphorene     resonant bonding    

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Prediction of the theoretical and semi-empirical model of ambient temperature

Foued CHABANE,Noureddine MOUMMI,Abdelhafid BRIMA,Abdelhafid MOUMMI

《能源前沿（英文）》 2016年 第10卷 第3期   页码 268-276 doi: 10.1007/s11708-016-0413-y

摘要： It is well known that the ambient temperature is a sensitive parameter which has a great effect on biology, technology, geology and even on human behavior. A prediction is a statement about an uncertain event. It is often, but not always, based upon experience or knowledge. Although guaranteed accurate information about the future is in many cases impossible, prediction can be useful to assist in making plans about possible developments. As a result, temperature profiles can be developed which accurately represent the expected ambient temperature exposure that this environment experiences during measurement. The ambient temperature over time is modeled based on the previous and data and using a Lagrange interpolation. To observe the comprehensive variation of ambient temperature the profile must be determined numerically. The model proposed in this paper can provide an acceptable way to measure the change in ambient temperature.

关键词： ambient temperature     environment     correlation     theoretical model     semi-empirical    

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Theoretical and technological exploration of deep

Heping XIE, Yang JU, Shihua REN, Feng GAO, Jianzhong LIU, Yan ZHU

《能源前沿（英文）》 2019年 第13卷 第4期   页码 603-611 doi: 10.1007/s11708-019-0643-x

摘要： Mining industries worldwide have inevitably resorted to exploiting resources from the deep underground. However, traditional mining methods can cause various problems, e.g., considerable mining difficulty, environmental degradations, and frequent disastrous accidents. To exploit deep resources in the future, the concept of mining must be reconsidered and innovative new theories, methods, and technologies must be applied. To effectively acquire coal resources deeper than 2000 m, new theoretical and technological concepts about deep fluidized mining are required. The limits of mining depth need to be broken to acquire deep-coal resources in an environmentally friendly, safe, and efficient manner. This is characterized by ‘There are no coal on the ground and no men in the coal mine’. First, this paper systematically explains deep fluidized coal mining. Then, it presents a new theoretical concept, including the theories of mining-induced rock mechanics, three-field visualization, multi-physics coupling for transformation, and mining, transformation and transport. It also presents key technological concepts, including those of intelligent, unmanned, and fluidized mining. Finally, this paper presents a strategic roadmap for deep fluidized coal mining. In summary, this paper develops new theoretical and technological systems for accomplishing groundbreaking innovations in mining technologies of coal resources in the deep underground.

关键词： coal resource     deep in situ     fluidized mining     theoretical system     key technologies     strategic roadmap    

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Theoretical analysis and experimental investigation of valveless piezoelectric pump with unsymmetrical

ZHANG Jianhui, LU Jizhuang, XIA Qixiao, LI Hong

《机械工程前沿（英文）》 2007年 第2卷 第1期   页码 13-19 doi: 10.1007/s11465-007-0002-1

摘要： A novel valveless piezoelectric pump with unsymmetrical ridges is presented at first. It ingeniously utilizes the inner space of its chamber by developing its chamber bottom into unsymmetrical ridges along the direction of the inlet and outlet of the pump. Hence, a series of cuneiform channels are asymmetrically and alternately formed between the unsymmetrical ridges and the piezoelectric vibrator, which enables the pump to form a one-way flow instead of the function of the traditional diffuse or nozzle elements fitted outside the chamber. Then, by analyzing the vibration of the piezoelectric vibrator, the vibration deformation function and the equation of volume change are established. Meanwhile, the theoretical equation of the pump flow rate is established. Finally, a real valveless piezoelectric pump with unsymmetrical ridges is manufactured, and the flow rate of the pump is measured through experiments. It is proved that the theory is rational and correct by comparing the experimental flow rate and the theoretical flow rate. In addition, for calculating the theoretical flow rate, the positive and converse flow resistance coefficients of unsymmetrical ridges are measured through experiments, when one slope angle of the unsymmetrical ridges is 90º and another is changing from 20º to 60º, respectively.

关键词： unsymmetrical     theoretical flow     theoretical equation     pump flow     converse flow    

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麻醉与意识的脑网络研究进展——框架与临床应用 Review

刘军, 董康立, 孙毅, Ioannis Kakkos, 黄帆, 王国正, 齐鹏, 陈星, 张德林, Anastasios Bezerianos, 孙煜

《工程（英文）》 2023年 第20卷 第1期   页码 77-95 doi: 10.1016/j.eng.2021.11.013

摘要：

尽管麻醉与意识之间的关系一直是研究者关注的重点，但目前学界对于麻醉与意识的神经机制理解仍处在初级阶段，极大地限制了麻醉监测和意识评估系统的进一步发展。此外，现有麻醉监测方法难以提供足够的有效信息，对精准麻醉监测的目标构成了障碍。近年来，使用脑网络分析揭示麻醉机制已成为研究热点，其目的是为临床应用提供新的研究思路。针对这一新的研究趋势，本文全面回顾了麻醉相关脑网络研究的最新进展，系统地比较了麻醉和意识的几种潜在的神经机制以及不同层面大脑神经活动的测量方法；从皮层碎片化理论出发，介绍了连通性和网络分析的一些重要的研究方法和相关成果；在总结归纳现有研究成果的基础上，论证了全脑多模态网络数据可以提供现有麻醉监测方法所无法提供的信息；更重要的是，进一步探讨简化脑网络分析方法的可行性，这一方法将会在优化现有的临床麻醉监测系统中发挥重要作用。

关键词： 麻醉     脑网络     连通性     图论分析     临床监测系统    

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Data quality assessment for studies investigating microplastics and nanoplastics in food products: Are

《环境科学与工程前沿（英文）》 2023年 第17卷 第8期 doi: 10.1007/s11783-023-1694-0

摘要：

● Data quality assessment criteria for MP/NPs in food products were developed.

关键词： Microplastic     Nanoplastic     Food products     Data quality     Human health risk    

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中国铁路高速道岔技术研究

何华武

《中国工程科学》 2009年 第11卷 第5期   页码 23-30

摘要：

高速道岔是高速铁路轨道结构的关键，其结构与状态对列车运行安全和运行品质具有重大影响。文章介绍了高速道岔设计参数和平面线形，扣件、岔枕、道岔转换系统等部件主要结构特征，高速道岔设计理论，相关技术条件及取得的创新成果，对于中国高速铁路道岔的进一步研制、试验验证及推广使用具有重要的指导意义。

关键词： 高速铁路     高速道岔     技术研究    

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ROUTE DEVELOPMENT, ANTIVIRAL STUDIES, FIELD EVALUATION AND TOXICITY OF AN ANTIVIRAL PLANT PROTECTANT

《农业科学与工程前沿（英文）》 2022年 第9卷 第1期 doi: 10.15302/J-FASE- 2021390

摘要：

It has previously been shown that tryptophan, the biosynthesis precursor of Peganum harmala alkaloids, and its derivatives have anti-TMV activity both in vitro and in vivo. Further exploration of this led to the identification of NK0238 as a highly effective agent for the prevention and control of diseases caused by plant viruses, but the existing routes are unsuitable for its large-scale synthesis. This study optimized a route for two-step synthesis of this virucide candidate via reaction of l-tryptophan with triphosgene to produce l-tryptophan-N-carboxylic anhydride, which then reacts with n-octylamine to give NK0238 at up to 94% yield and nearly 97% HPLC purity. In addition, the route was used for the preparation of NK0238 on a>40 g scale permitting further assessment of its antivirus activity in the greenhouse and field experiments, and toxicity tests. NK0238 exhibited useful antiviral activities against a variety of viruses both in greenhouse and field experiments. The toxicity tests showed that NK0238 was not acutely toxic to birds, fish, honey bees and silkworms. The optimized route provides a solid foundation for its large-scale synthesis and subsequent efficacy and toxicity studies, its excellent activity and safety make NK0238 a promising drug candidate for further development.

 

关键词： antiviral plant protectant / antiviral in the greenhouse / field evaluation / l-trp-NCA / synthesis optimization / toxicity tests    

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Mechanism insight into the formation of HS from thiophene pyrolysis: A theoretical study

《环境科学与工程前沿（英文）》 2021年 第15卷 第6期 doi: 10.1007/s11783-021-1404-8

摘要：

• Possible formation pathways of H2S were revealed in thiophene pyrolysis.

关键词： Density functional theory     Waste rubber     Thiophene     H2S     Pyrolysis    

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Experimental studies on extraction of cobalt ions from dilute aqueous solutions by using complexation-ultrafiltration

Jianxian ZENG, Junfeng LIU, Niandong HUANG,

《化学科学与工程前沿（英文）》 2010年 第4卷 第3期   页码 360-366 doi: 10.1007/s11705-009-0269-3

摘要： The extraction of cobalt ions from dilute aqueous solutions was investigated by ultrafiltration with the help of poly(acrylic acid) sodium salt (PAASS). Polysulfone and polyethersulfone hollow fiber ultrafiltration membranes were employed in this process. The kinetics of complexation reaction was studied for PAASS with Co. Results showed that, under a large excess of PAASS, it takes 65, 55 and 40 min at pH 5, 6 and 7, respectively, to get the equilibrium of complexation. The reaction kinetics can be described by a pseudo-first-order equation. Then, the effects of various parameters on the extraction of Co were examined in detail. Results indicated that loading ratio, pH value and low-molecular competitive complexing agent affect significantly cobalt rejection coefficient . Furthermore, a concentration experiment was carried out at pH 7. With increasing volume concentration factor, membrane flux declines slowly, and value is always about 1. The concentrated retentate was used further for a decomplexation experiment. The decomplexation ratio of cobalt-PAASS complex reaches as high as 90.1%. After the decomplexation step, a diafiltration experiment was performed at pH 2.5. Cobalt ions can be extracted satisfactorily from the retentate, and a purified PAASS is obtained.
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标题 作者 时间 类型 操作

Synthesis of mono and bis-4-methylpiperidiniummethyl-urea as corrosion inhibitors for steel in acidic media

Abbas TEIMOURI, Nasrin SOLTANI, Alireza Najafi CHERMAHINI

期刊论文

A review on different theoretical models of electrocaloric effect for refrigeration

期刊论文

Genome-wide association studies: inherent limitations and future challenges

null

期刊论文

Genomic and pharmacogenetic studies of childhood acute lymphoblastic leukemia

null

期刊论文

NOx removal by non-thermal plasma reduction: experimental and theoretical investigations

期刊论文

Thermal transport properties of monolayer phosphorene: a mini-review of theoretical studies

Guangzhao QIN, Ming HU

期刊论文

Prediction of the theoretical and semi-empirical model of ambient temperature

Foued CHABANE,Noureddine MOUMMI,Abdelhafid BRIMA,Abdelhafid MOUMMI

期刊论文

Theoretical and technological exploration of deep

Heping XIE, Yang JU, Shihua REN, Feng GAO, Jianzhong LIU, Yan ZHU

期刊论文

Theoretical analysis and experimental investigation of valveless piezoelectric pump with unsymmetrical

ZHANG Jianhui, LU Jizhuang, XIA Qixiao, LI Hong

期刊论文

麻醉与意识的脑网络研究进展——框架与临床应用

刘军, 董康立, 孙毅, Ioannis Kakkos, 黄帆, 王国正, 齐鹏, 陈星, 张德林, Anastasios Bezerianos, 孙煜

期刊论文

Data quality assessment for studies investigating microplastics and nanoplastics in food products: Are

期刊论文

中国铁路高速道岔技术研究

何华武

期刊论文

ROUTE DEVELOPMENT, ANTIVIRAL STUDIES, FIELD EVALUATION AND TOXICITY OF AN ANTIVIRAL PLANT PROTECTANT

期刊论文

Mechanism insight into the formation of HS from thiophene pyrolysis: A theoretical study

期刊论文

Experimental studies on extraction of cobalt ions from dilute aqueous solutions by using complexation-ultrafiltration

Jianxian ZENG, Junfeng LIU, Niandong HUANG,

期刊论文