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NRTIs’ effect on the sequence of mitochondrial DNA HV 2 in HIV infected patients

Ya-Song WU MD, PhD, Xin-Yue CHEN MD, Ying SHI PhD, Hao WU MD, De-Xi CHEN MD, PhD, Yu SUN MD, Fu-Jie ZHANG MD,

《医学前沿（英文）》 2010年 第4卷 第2期   页码 177-184 doi: 10.1007/s11684-010-0038-1

摘要： Potent combination antiretroviral therapy (cART) has significantly improved the life expectancy of people living with human immunodeficiency virus (HIV), but it has many side effects such as lipodystrophy (LD), hepatic steatosis, and lactic acidosis. Nucleoside reverse transcriptase inhibitors (NRTIs) could damage the mitochondria by inhibiting the human DNA polymerase gamma, leading to mtDNA deletion. However, it remains uncertain whether NRTIs could induce the hypervariable region (HV) mutations of the D loop of mitochondria in Chinese HIV/AIDS patients, and whether that effect is different between individuals with and without LD. Hereby, 30 Chinese AIDS patients who were receiving antiretroviral drugs were recruited, among which 16 had symptomatic LD and 14 did not. Blood samples were collected prior to and after 96 weeks of treatment. Total DNA was extracted from peripheral blood mononuclear cells (PBMCs). Fragments of 728 bp in length containing HV 2 were amplified by standard polymerase chain reaction (PCR). Direct DNA-sequencing analysis techniques were used to detect mitochondrial sequence variants between paired longitudinal samples. Alterations were compared with the revised Cambridge Reference Sequence (rCRS) to determine mutation or polymorphism. Results showed that two years after ART, totally seven cases exhibited sequence variations, five individuals showed 73€A→G revised variation (two with and three without LD), while two cases of LD were found to have other nucleotide alterations. There was no new alteration in individuals without LD. In conclusion, NRTIs could induce mutation of mtDNA HV 2, which might contribute to the development of LD.

关键词： nucleoside reverse transcriptase inhibitors     human immunodeficiency virus     mitochondrial DNA     D loop     mutation    

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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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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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Highly hydrophobic oil−water separation membrane: reutilization of waste reverse osmosis membrane

《化学科学与工程前沿（英文）》 2023年 第17卷 第10期   页码 1606-1615 doi: 10.1007/s11705-022-2200-0

摘要： The increasing applications of seawater desalination technology have led to the wide usage of polyamide reverse osmosis membranes, resulting in a large number of wasted reverse osmosis membranes. In this work, the base nonwoven layer of the wasted reverse osmosis membrane was successfully modified into the hydrophobic membrane via surface deposition strategy including TiO2 and 1H,1H,2H,2H-perfluorooctyltrichlorosilane (PFOTS), respectively. Various techniques were applied to characterize the obtained membranes, which were then used to separate the oil–water system. The optimally modified membrane displayed good hydrophobicity with a contact angle of 135.2° ± 0.3°, and its oil–water separation performance was as high as 97.8%. After 20 recycle tests, the oil–water separation performance remained more than 96%, which was attributed to the film adhesion of the anchored TiO2 and PFOTS layer on the surface. This work might provide a new avenue for recycling the wasted reverse osmosis membrane used in oily wastewater purification.

关键词： oil–water separation     wasted reverse osmosis membrane     hydrophobic modification    

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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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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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Centrifuge experiments for shallow tunnels at active reverse fault intersection

Mehdi SABAGH, Abbas GHALANDARZADEH

《结构与土木工程前沿（英文）》 2020年 第14卷 第3期   页码 731-745 doi: 10.1007/s11709-020-0614-7

摘要： Tunnels extend in large stretches with continuous lengths of up to hundreds of kilometers which are vulnerable to faulting in earthquake-prone areas. Assessing the interaction of soil and tunnel at an intersection with an active fault during an earthquake can be a beneficial guideline for tunnel design engineers. Here, a series of 4 centrifuge tests are planned and tested on continuous tunnels. Dip-slip surface faulting in reverse mechanism of 60-degree is modeled by a fault simulator box in a quasi-static manner. Failure mechanism, progression and locations of damages to the tunnels are assessed through a gradual increase in Permanent Ground Displacement (PGD). The ground surface deformations and strains, fault surface trace, fault scarp and the sinkhole caused by fault movement are observed here. These ground surface deformations are major threats to stability, safety and serviceability of the structures. According to the observations, the modeled tunnels are vulnerable to reverse fault rupture and but the functionality loss is not abrupt, and the tunnel will be able to tolerate some fault displacements. By monitoring the progress of damage states by increasing PGD, the fragility curves corresponding to each damage state were plotted and interpreted in related figures.

关键词： reverse fault rupture     continuous tunnel     geotechnical centrifuge     ground surface deformations     fragility curves    

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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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Self-healing polyamide reverse osmosis membranes with temperature-responsive intelligent nanocontainers

《化学科学与工程前沿（英文）》 2023年 第17卷 第9期   页码 1183-1195 doi: 10.1007/s11705-022-2287-3

摘要： Improving the performance of reverse osmosis membranes remains great challenge to ensure excellent NaCl rejection while maintaining high water permeability and chlorine resistance. Herein, temperature-responsive intelligent nanocontainers are designed and constructed to improve water permeability and chlorine resistance of polyamide membranes. The nanocontainer is synthesized by layer-by-layer self-assembly with silver nanoparticles as the core, sodium alginate and chitosan as the repair materials, and polyvinyl alcohol as the shell. When the polyamide layer is damaged by chlorine attack, the polyvinyl alcohol shell layer dissolves under temperature stimulation of 37 °C, releasing inner sodium alginate and chitosan to repair broken amide bonds. The polyvinyl alcohol shell responds to temperature in line with actual operating environment, which can effectively synchronize the chlorination of membranes with temperature response and release inner materials to achieve self-healing properties. With adding temperature-responsive intelligent nanocontainers, the NaCl rejection of thin film composite membrane decreased by 15.64%, while that of thin film nanocomposite membrane decreased by only 8.35% after 9 chlorination cycles. Effective repair treatment and outstanding chlorine resistance as well as satisfactory stability suggest that temperature-responsive intelligent nanocontainer has great potential as membrane-doping material for the targeted repair of polyamide reverse osmosis membranes.

关键词： reverse osmosis     nanocontainer     self-healing     chlorine resistance     water permeability    

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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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Mechanism of ethanol/water reverse separation through a functional graphene membrane: a molecular simulation

《化学科学与工程前沿（英文）》 2023年 第17卷 第3期   页码 347-357 doi: 10.1007/s11705-022-2246-z

摘要： Reverse-selective membranes have attracted considerable interest for bioethanol production. However, to date, the reverse-separation performance of ethanol/water is poor and the separation mechanism is unclear. Graphene-based membranes with tunable apertures and functional groups have shown substantial potential for use in molecular separation. Using molecular dynamics simulations, for the first time, we reveal two-way selectivity in ethanol/water separation through functional graphene membranes. Pristine graphene (PG) exhibits reverse-selective behavior with higher ethanol fluxes than water, resulting from the preferential adsorption for ethanol. Color flow mappings show that this ethanol-permselective process is initiated by the presence of ethanol-enriched and water-barren pores; this has not been reported in previous studies. In contrast, water molecules are preferred for hydroxylated graphene membranes because of the synergistic effects of molecular sieving and functional-group attraction. A simulation of the operando condition shows that the PG membrane with an aperture size of 3.8 Å achieves good separation performance, with an ethanol/water separation factor of 34 and a flux value of 69.3 kg∙m‒2∙h‒1∙bar‒1. This study provides new insights into the reverse-selective mechanism of porous graphene membranes and a new avenue for efficient biofuel production.

关键词： reverse separation     graphene membrane     ethanol/water separation     molecular simulation    

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Tracing the impact of stack configuration on interface resistances in reverse electrodialysis by in situ

《环境科学与工程前沿（英文）》 2022年 第16卷 第4期 doi: 10.1007/s11783-021-1480-9

摘要：

• RED performance and stack resistance were studied by EIS and LSV.

关键词： Reverse electrodialysis     Electrochemical impedance spectroscopy     Concentration polarization     Spacer shadow effect    

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Preparation of reverse osmosis membrane with high permselectivity and anti-biofouling properties for

《环境科学与工程前沿（英文）》 2022年 第16卷 第7期 doi: 10.1007/s11783-021-1497-0

摘要：

• Nanoparticle incorporation and anti-biofouling grafting were integrated.

关键词： Anti-biofouling grafting     Nanoparticle incorporation     Sterilization rates     Water flux     Water flux recovery    

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Efficient production of hydrogen peroxide in microbial reverse-electrodialysis cells coupled with thermolytic

《环境科学与工程前沿（英文）》 2023年 第17卷 第9期 doi: 10.1007/s11783-023-1708-y

摘要：

● Appreciable H2O2 production rate was achieved in MRCs utilizing NH4HCO3 solutions.

关键词： Microbial reverse-electrodialysis cell     Hydrogen peroxide production     Ammonium bicarbonate     Electrolysis cell     Optimization    

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标题 作者 时间 类型 操作

NRTIs’ effect on the sequence of mitochondrial DNA HV 2 in HIV infected patients

Ya-Song WU MD, PhD, Xin-Yue CHEN MD, Ying SHI PhD, Hao WU MD, De-Xi CHEN MD, PhD, Yu SUN MD, Fu-Jie ZHANG MD,

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

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

Highly hydrophobic oil−water separation membrane: reutilization of waste reverse osmosis membrane

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

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

期刊论文

Centrifuge experiments for shallow tunnels at active reverse fault intersection

Mehdi SABAGH, Abbas GHALANDARZADEH

期刊论文

Advances in newly developing therapy for chronic hepatitis C virus infection

null

期刊论文

Self-healing polyamide reverse osmosis membranes with temperature-responsive intelligent nanocontainers

期刊论文

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

期刊论文

Mechanism of ethanol/water reverse separation through a functional graphene membrane: a molecular simulation

期刊论文

Tracing the impact of stack configuration on interface resistances in reverse electrodialysis by in situ

期刊论文

Preparation of reverse osmosis membrane with high permselectivity and anti-biofouling properties for

期刊论文

Efficient production of hydrogen peroxide in microbial reverse-electrodialysis cells coupled with thermolytic

期刊论文