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

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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Atomistic characterization of binding modes and affinity of peptide inhibitors to amyloid-

Fufeng LIU,Wenjie DU,Yan SUN,Jie ZHENG,Xiaoyan DONG

《化学科学与工程前沿（英文）》 2014年 第8卷 第4期   页码 433-444 doi: 10.1007/s11705-014-1454-6

摘要： The aggregation of amyloid -protein (A ) is tightly linked to the pathogenesis of Alzheimer’s disease. Previous studies have found that three peptide inhibitors (i.e., KLVFF, VVIA, and LPFFD) can inhibit A aggregation and alleviate A -induced neurotoxicity. However, atomic details of binding modes and binding affinities between these peptide inhibitors and A have not been revealed. Here, using molecular dynamics simulations and molecular mechanics Poisson Boltzmann surface area (MM/PBSA) analysis, we examined the effect of three peptide inhibitors (KLVFF, VVIA, and LPFFD) on their sequence-specific interactions with A and the molecular basis of their inhibition. All inhibitors exhibit varied binding affinity to A , in which KLVFF has the highest binding affinity, whereas LPFFD has the least. MM/PBSA analysis further revealed that different peptide inhibitors have different modes of interaction with A , consequently hotspot binding residues, and underlying driving forces. Specific residue-based interactions between inhibitors and A were determined and compared for illustrating different binding and inhibition mechanisms. This work provides structure-based binding information for further modification and optimization of these three peptide inhibitors to enhance their binding and inhibitory abilities against A aggregation.

关键词： Alzheimer’s disease     amyloid β-protein     peptide inhibitors     protein-protein interaction     molecular dynamics simulation    

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On corrosion to stainless steel by calcium chloride with different extender

Lv XU, Yuanyang HU, Liwei WANG, Ruzhu WANG,

《能源前沿（英文）》 2010年 第4卷 第2期   页码 181-184 doi: 10.1007/s11708-009-0065-2

摘要： A calcium chloride solution with a different extender, which is made up of either pure calcium chloride, calcium chloride with expanded graphite, or calcium chloride with activated carbon, acts differently on stainless steel. The mass ratio between calcium chloride with expanded graphite or activated carbon is almost 4∶1, which is demonstrated to be the optimum ratio. The experimental research in this paper reveals that, of the three solutions, which are pure calcium chloride, calcium chloride with expanded graphite, and calcium chloride with activated carbon, the strongest oxidation creation and pitting corrosion happened in the solution of calcium chloride with expanded graphite, the weakest oxidation creation happened in the solution of calcium chloride with activated carbon, and pitting corrosion was stronger than oxidation creation in the solution of pure calcium chloride. This paper gives the reasons for these phenomena. Furthermore, based on theory analysis, multiple means and approaches are provided to prevent stainless steel from further corroding.

关键词： stainless steel     corrosion     calcium chloride     expanded graphite     activated carbon     oxidation creation     pitting corrosion    

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Mitogen-activated protein kinase pathway inhibitors: inhibitors for diseases?

Xu WANG MS, Xiao-Wei GONG MD, PhD, Yong JIANG MD, PhD, Yu-Hua LI PhD,

《医学前沿（英文）》 2010年 第4卷 第1期   页码 46-53 doi: 10.1007/s11684-010-0010-0

摘要： Mitogen-activated protein kinase (MAPK) signaling pathway, one of the most important signaling pathways in eukaryotic organism, is involved in multiple cellular events such as cell growth, differentiation, and apoptosis. MAPK is of great importance to the normal function of organisms, while its dysfunction results in various diseases. So far, inhibitors specifically against each subfamilies of MAP kinase have been developed, while more endeavors are needed to discover the compounds selectively targeting a particular subfamily member. Most of the kinase inhibitors exert their functions in an ATP-competitive way or a non-ATP-competitive way. Further studies on the effective mechanism of the MAPK inhibitors and their therapeutic roles in the treatment of diseases are helpful for the illumination of MAP kinase function, the development of novel inhibitors, and the therapy of diseases caused by the dysfunction of the MAPK pathway.

关键词： mitogen-activated protein kinase     drug target     inhibitor     signal transduction     disease    

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Screening responsive or resistant biomarkers of immune checkpoint inhibitors based on online databases

Zhen Xiang, Yingyan Yu

《医学前沿（英文）》 2019年 第13卷 第1期   页码 24-31 doi: 10.1007/s11684-019-0679-7

摘要： Immune checkpoint inhibitors are a promising strategy in the treatment of cancer, especially advanced types. However, not all patients are responsive to immune checkpoint inhibitors. The response rate depends on the immune microenvironment, tumor mutational burden (TMB), expression level of immune checkpoint proteins, and molecular subtypes of cancers. Along with the Cancer Genome Project, various open access databases, including The Cancer Genome Atlas and Gene Expression Omnibus, provide large volumes of data, which allow researchers to explore responsive or resistant biomarkers of immune checkpoint inhibitors. In this review, we introduced some methodologies on database selection, biomarker screening, current progress of immune checkpoint blockade in solid tumor treatment, possible mechanisms of drug resistance, strategies of overcoming resistance, and indications for immune checkpoint inhibitor therapy.

关键词： immune checkpoint blockade     sensitivity     resistance     data mining    

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Monitoring corrosion of reinforcement in concrete structures via fiber Bragg grating sensors

Zhupeng ZHENG, Xiaoning SUN, Ying LEI

《机械工程前沿（英文）》 2009年 第4卷 第3期   页码 316-319 doi: 10.1007/s11465-009-0040-y

摘要： Corrosion of steel and rebar in concrete structures is one of the most frequent reasons for civil infrastructure failures. Thus, improving the effective corrosion sensor technology can greatly reduce cost and provide safe structures with long service lives. However, assessing the corrosion condition of rebars is not simple because they are buried in concrete. In this paper, using fiber Bragg grating (FBG), a corrosion sensor for monitoring steel rebars embedded in a concrete structure is developed and validated by experiments. Based on the fact that the volume and diameter of a rebar embedded in concrete will enlarge due to corrosion, an FBG packaged with fiber-reinforced plastics (FRP) is wrapped on the steel bar. During corrosion, the increase in the bar diameter leads to the increase in fiber strain, which can be measured by the shift of the wavelength of FBG. Performances of the corrosion sensor are validated by accelerating corrosion in lab experiments. The corrosion sensor is embedded in a concrete specimen put in a 5% sodium chloride solution with a constant current. Experimental results show that the corrosion sensor can monitor the concurrence of corrosion of rebars in concrete. The corrosion extent can be quantitatively evaluated through the change in the wavelength of FBG. Therefore, the corrosion sensor developed in this paper is feasible for monitoring the early corrosion of rebars in concrete.

关键词： fiber Bragg grating (FBG)     corrosion     concrete structures     accelerated corrosion test    

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Analysis of interactions of immune checkpoint inhibitors with antibiotics in cancer therapy

《医学前沿（英文）》 2022年 第16卷 第3期   页码 307-321 doi: 10.1007/s11684-022-0927-0

摘要： The discovery of immune checkpoint inhibitors, such as PD-1/PD-L1 and CTLA-4, has played an important role in the development of cancer immunotherapy. However, immune-related adverse events often occur because of the enhanced immune response enabled by these agents. Antibiotics are widely applied in clinical treatment, and they are inevitably used in combination with immune checkpoint inhibitors. Clinical practice has revealed that antibiotics can weaken the therapeutic response to immune checkpoint inhibitors. Studies have shown that the gut microbiota is essential for the interaction between immune checkpoint inhibitors and antibiotics, although the exact mechanisms remain unclear. This review focuses on the interactions between immune checkpoint inhibitors and antibiotics, with an in-depth discussion about the mechanisms and therapeutic potential of modulating gut microbiota, as well as other new combination strategies.

关键词： tumor immunotherapy     immune checkpoint inhibitor     antibiotics     gut microbiota     drug–drug interaction    

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Corrosion mechanisms of candidate structural materials for supercritical water-cooled reactor

Lefu ZHANG, Fawen ZHU, Rui TANG

《能源前沿（英文）》 2009年 第3卷 第2期   页码 233-240 doi: 10.1007/s11708-009-0024-y

摘要： Nickel-based alloys, austenitic stainless steel, ferritic/martensitic heat-resistant steels, and oxide dispersion strengthened steel are presently considered to be the candidate structural or fuel-cladding materials for supercritical water-cooled reactor (SCWR), one of the promising generation IV reactor for large-scale electric power production. However, corrosion and stress corrosion cracking of these candidate alloys still remain to be a major problem in the selection of nuclear fuel cladding and other structural materials, such as water rod. Survey of literature and experimental results reveal that the general corrosion mechanism of those candidate materials exhibits quite complicated mechanism in high-temperature and high-pressure supercritical water. Formation of a stable protective oxide film is the key to the best corrosion-resistant alloys. This paper focuses on the mechanism of corrosion oxide film breakdown for SCWR candidate materials.

关键词： supercritical water-cooled reactor     general corrosion     oxide film     corrosion mechanism    

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Advances in newly developing therapy for chronic hepatitis C virus infection

null

《医学前沿（英文）》 2014年 第8卷 第2期   页码 166-174 doi: 10.1007/s11684-014-0334-2

摘要：

Chronic hepatitis C virus (HCV) infection afflicts a reported 170 million people worldwide and is often complicated by cirrhosis and hepatocellular carcinoma. Morbidity and mortality are decreased with the successful treatment of chronic HCV infection. Increased understanding of the HCV has allowed further development of new direct-acting antiviral (DAA) agents against the HCV and has also allowed the development of IFN-free oral treatment regimens. In late 2013 the first nucleotide polymerase inhibitor regimen with RBV alone for genotypes 2/3 and in combination with a 12-week regimen of PEG-IFN+RBV for genotypes 1, 4 was approved for use in the US. A number of promising new DAA regimens which are IFN-free are in phase 3 development and the first will likely be approved for use in the US in 2014. The currently approved regimens are discussed in detail and currently available data on future regimens are reviewed herein.

关键词： direct-acting antiviral (DAA)     nucleotide polymerase inhibitors     protease inhibitors    

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DISCOVERY OF TRIKETONE-QUINOXALINE HYBRIDS AS POTENT HPPD INHIBITORS USING STRUCTURE-BASED DRUG DESIGN

《农业科学与工程前沿（英文）》 2022年 第9卷 第1期   页码 133-145 doi: 10.15302/J-FASE-2021401

摘要：

p-Hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27, HPPD) belongs to the family of Fe(II)-dependent non-heme oxygenases that occur in the majority of aerobic organisms. HPPD has proved to be a promising target in herbicide research and development. A battery of novel triketone-quinoxaline compounds has been designed using a structure-based drug design strategy and then prepared. Enzyme inhibition assays show that these synthesized derivatives possess favorable inhibition capability against Arabidopsis thaliana HPPD with IC50 values ranging from 0.317 to 0.891 μmol·L−1. Subsequently, the molecular docking results indicate that two adjacent carbonyls of the triketone moiety of the representative compound 2-(2,3-dimethyl-8-(o-tolyl)quinoxaline-6-carbonyl)-3-hydroxycyclohex-2-en-1-one (7d) engage in chelation with the ferrous ion of A. thaliana HPPD in a bidentate pose, and its quinoxaline scaffold forms two sets of parallel π-stacking interaction between two phenylalanine residues (Phe424 and Phe381). In addition, the extended phenyl group also interacts with Phe392 in a π-π stacking way. This study indicates that triketone-quinoxaline is a promising scaffold for discovering HPPD inhibitors with substantially increased potency, providing insight into the molecular design of new herbicides.

 

关键词： herbicide / HPPD / inhibitor / quinoxaline / triketon    

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Corrosion behavior of metallic alloys in molten chloride salts for thermal energy storage in concentrated

Wenjin Ding, Alexander Bonk, Thomas Bauer

《化学科学与工程前沿（英文）》 2018年 第12卷 第3期   页码 564-576 doi: 10.1007/s11705-018-1720-0

摘要：

Recently, more and more attention is paid on applications of molten chlorides in concentrated solar power (CSP) plants as high-temperature thermal energy storage (TES) and heat transfer fluid (HTF) materials due to their high thermal stability limits and low prices, compared to the commercial TES/HTF materials in CSP-nitrate salt mixtures. A higher TES/HTF operating temperature leads to higher efficiency of thermal to electrical energy conversion of the power block in CSP, however causes additional challenges, particularly increased corrosiveness of metallic alloys used as containers and structural materials. Thus, it is essential to study corrosion behaviors and mechanisms of metallic alloys in molten chlorides at operating temperatures (500–800 °C) for realizing the commercial application of molten chlorides in CSP. The results of studies on hot corrosion of metallic alloys in molten chlorides are reviewed to understand their corrosion behaviors and mechanisms under various conditions (e.g., temperature, atmosphere). Emphasis has also been given on salt purification to reduce corrosive impurities in molten chlorides and development of electrochemical techniques to in-situ monitor corrosive impurities in molten chlorides, in order to efficiently control corrosion rates of metallic alloys in molten chlorides to meet the requirements of industrial applications.

关键词： corrosion mechanisms     impurities     metallic corrosion     salt purification     electrochemical techniques    

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Synergistic effects of sodium hypochlorite disinfection and iron-oxidizing bacteria on early corrosion

《环境科学与工程前沿（英文）》 2022年 第16卷 第6期 doi: 10.1007/s11783-021-1506-3

摘要：

• The early corrosion process in the cast iron pipes was investigated.

关键词： Cast iron pipe corrosion     Drinking water distribution systems     Chlorine disinfection     Iron-oxidizing bacteria     Coupling effects    

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我国腐蚀管理体系研究

马秀敏,朱桂雨,路东柱,段继周,侯保荣

《中国工程科学》 2022年 第24卷 第1期   页码 190-197 doi: 10.15302/J-SSCAE-2022.01.020

摘要：

腐蚀管理关乎安全生产，关乎国民经济，关乎生态文明，关乎资源节约和国家建设。虽然少数行业在腐蚀管理方面已经进行了一些卓有成效的探索和实践，但是总体上腐蚀管理在我国发展十分不平衡，存在着腐蚀管理意识薄弱、专业人才短缺和管理系统不健全等问题。因此，有必要进一步明确腐蚀管理的内涵，明确我国腐蚀管理体系化发展的基本要求，推动腐蚀管理体系化持续健康发展。本文基于中国工程院重点咨询项目“我国腐蚀管理状况与对策战略研究”主要研究成果，阐述了腐蚀管理的内涵及体系化发展的重要意义，分析了我国腐蚀管理的现状及问题，总结提出了腐蚀管理体系基本框架及管理要点，提出了将腐蚀管理纳入国家安全战略，成立腐蚀管理战略研究常设机构；加强腐蚀学科建设，强化人才战略；建立健全腐蚀防护相关法规标准，强化标准意识；加强腐蚀数据库建设，畅通沟通渠道；搭建腐蚀管理信息及大数据交流平台，打造共享管理新模式等对策建议。

关键词： 腐蚀管理，腐蚀管理体系，腐蚀防护，腐蚀控制，腐蚀安全    

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Corrosion behavior of Fe–Cr–Ni based alloys exposed to molten MgCl2–KCl–NaCl salt with over-addedMg corrosion inhibitor

《化学科学与工程前沿（英文）》 2023年 第17卷 第10期   页码 1608-1619 doi: 10.1007/s11705-023-2349-1

摘要： MgCl2–NaCl–KCl salts mixture shows great potential as a high-temperature (> 700 °C) thermal energy storage material in next-generation concentrated solar power plants. Adding Mg into molten MgCl2–NaCl–KCl salt as a corrosion inhibitor is one of the most effective and cost-effective methods to mitigate the molten salt corrosion of commercial Fe–Cr–Ni alloys. However, it is found in this work that both stainless steel 310 and Incoloy 800H samples were severely corroded after 500 h immersion test at 700 °C when the alloy samples directly contacted with the over-added Mg in the liquid form. The corrosion attack is different from the classical impurity-driven corrosion in molten chloride salts found in previous work. Microscopic analysis indicates that Ni preferentially leaches out of alloy matrix due to the tendency to form MgNi2/Mg2Ni compounds. The Ni-depletion leads to the formation of a porous corrosion layer on both alloys, with the thickness around 204 µm (stainless steel 310) and 1300 µm (Incoloy 800H), respectively. These results suggest that direct contact of liquid Mg with Ni-containing alloys should be avoided during using Mg as a corrosion inhibitor for MgCl2–NaCl–KCl or other chlorides for high temperature heat storage and transfer.

关键词： concentrated solar power (CSP)     Mg corrosion inhibitor     Mg–Ni intermetallic     salt purification     thermal energy storage (TES)    

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Monitoring checkpoint inhibitors: predictive biomarkers in immunotherapy

Min Zhang, Jingwen Yang, Wenjing Hua, Zhong Li, Zenghui Xu, Qijun Qian

《医学前沿（英文）》 2019年 第13卷 第1期   页码 32-44 doi: 10.1007/s11684-018-0678-0

摘要：

Immunotherapy has become the fourth cancer therapy after surgery, chemotherapy, and radiotherapy. In particular, immune checkpoint inhibitors are proved to be unprecedentedly in increasing the overall survival rates of patients with refractory cancers, such as advanced melanoma, non-small cell lung cancer, and renal cell carcinoma. However, inhibitor therapies are only effective in a small proportion of patients with problems, such as side effects and high costs. Therefore, doctors urgently need reliable predictive biomarkers for checkpoint inhibitor therapies to choose the optimal therapies. Here, we review the biomarkers that can serve as potential predictors of the outcomes of immune checkpoint inhibitor treatment, including tumor-specific profiles and tumor microenvironment evaluation and other factors.

关键词： immune checkpoint     companion diagnosis     PD-L1     tumor mutation burden     immune score    

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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

Abbas TEIMOURI, Nasrin SOLTANI, Alireza Najafi CHERMAHINI

期刊论文

Atomistic characterization of binding modes and affinity of peptide inhibitors to amyloid-

Fufeng LIU,Wenjie DU,Yan SUN,Jie ZHENG,Xiaoyan DONG

期刊论文

On corrosion to stainless steel by calcium chloride with different extender

Lv XU, Yuanyang HU, Liwei WANG, Ruzhu WANG,

期刊论文

Mitogen-activated protein kinase pathway inhibitors: inhibitors for diseases?

Xu WANG MS, Xiao-Wei GONG MD, PhD, Yong JIANG MD, PhD, Yu-Hua LI PhD,

期刊论文

Screening responsive or resistant biomarkers of immune checkpoint inhibitors based on online databases

Zhen Xiang, Yingyan Yu

期刊论文

Monitoring corrosion of reinforcement in concrete structures via fiber Bragg grating sensors

Zhupeng ZHENG, Xiaoning SUN, Ying LEI

期刊论文

Analysis of interactions of immune checkpoint inhibitors with antibiotics in cancer therapy

期刊论文

Corrosion mechanisms of candidate structural materials for supercritical water-cooled reactor

Lefu ZHANG, Fawen ZHU, Rui TANG

期刊论文

Advances in newly developing therapy for chronic hepatitis C virus infection

null

期刊论文

DISCOVERY OF TRIKETONE-QUINOXALINE HYBRIDS AS POTENT HPPD INHIBITORS USING STRUCTURE-BASED DRUG DESIGN

期刊论文

Corrosion behavior of metallic alloys in molten chloride salts for thermal energy storage in concentrated

Wenjin Ding, Alexander Bonk, Thomas Bauer

期刊论文

Synergistic effects of sodium hypochlorite disinfection and iron-oxidizing bacteria on early corrosion

期刊论文

我国腐蚀管理体系研究

马秀敏,朱桂雨,路东柱,段继周,侯保荣

期刊论文

Corrosion behavior of Fe–Cr–Ni based alloys exposed to molten MgCl2–KCl–NaCl salt with over-addedMg corrosion inhibitor

期刊论文

Monitoring checkpoint inhibitors: predictive biomarkers in immunotherapy

Min Zhang, Jingwen Yang, Wenjing Hua, Zhong Li, Zenghui Xu, Qijun Qian

期刊论文