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Structure-based design and optimization lead to the identification of novel dihydrothiopyrano[3,2-d]pyrimidine derivatives as potent HIV-1 inhibitors against drug-resistant variants

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Acta Pharmaceutica Sinica B 2024年第3期14卷 1257-1282页

作者： Zhao Wang Heng zhang Zhen Gao Zihao Sang Erik De Clercq Christophe Pannecouque Dongwei Kang Peng zhan Xinyong Liu Department of Medicinal Chemistry Key Laboratory of Chemical Biology(Ministry of Education)School of Pharmaceutical SciencesCheeloo College of MedicineShandong UniversityJinan 250012China Rega Institute for Medical Research Laboratory of Virology and ChemotherapyK.U.LeuvenLeuven B-3000Belgium China-Belgium Collaborative Research Center for Innovative Antiviral Drugs of Shandong Province Jinan 250012China Suzhou Research Institute Shandong UniversitySuzhou 215123China

With our continuous endeavors in seeking potent anti-HIV-1 agents,we reported here the discovery,biological characterization,and druggability evaluation of a class of nonnucleoside reverse transcriptase *** fully explore the chemical space of the NNRTI-binding pocket,novel series of dihydrothiopyrano[3,2-d]pyrimidines were developed by employing the structure-based design *** of the derivatives were endowed with prominent antiviral activities against HIV-1 wild-type and resistant strains at nanomolar *** them,compound 23h featuring the aminopiperidine moiety was identified as the most potent inhibitor,with EC50values ranging from 3.43 to 21.4 nmol/***,for the challenging double-mutants F227L+V106A and K103N+Y181C,23h exhibited 2.3-to 14.5-fold more potent activity than the first-line drugs efavirenz and ***,the resistance profiles of 23h achieved remarkable improvement compared to efavirenz and *** binding target of 23h was further confirmed to be HIV-1 reverse *** modeling studies were also performed to elucidate the biological evaluation results and give guidance for the optimization ***,no apparent inhibition of the major CYP450 enzymes and hERG channel was observed for *** importantly,23h was characterized by good pharmacokinetic properties and excellent safety in ***,23h holds great promise as a potential candidate for its effective antiviral efficacy and favorable drug-like profiles.

关键词： HIV-1 Reverse transcriptase Dihydrothiopyrano[3,2-d]pyrimidine Antiviral agent

Damage characteristics of fused silica under low-temporal coherence light

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High Power Laser Science and Engineering 2024年第3期12卷 77-83页

作者： Chong Shan Lingbao Kong Fujian Li Yong Cui Lailin Ji Quan Zheng Daxing Rao Ruijing He Xiaohui Zhao Yuanan Zhao zhan Sui Shanghai Engineering Research Center of Ultra-precision Optical Manufacturing School of Information Science and TechnologyFudan UniversityShanghaiChina Shanghai Institute of Laser Plasma China Academy of Engineering PhysicsShanghaiChina Key Laboratory of High Power Laser Materials Shanghai Institute of Optics and Fine MechanicsChinese Academy of SciencesShanghaiChina

The damage characteristics of fused silica were investigated under low-temporal coherence light(LTCL).It was found that the laser-induced damage threshold(LIDT)of fused silica for the LTCL was lower than that of the single longitudinal mode pulse laser,and for the LTCLs,the LIDTs decrease with the increasing of laser bandwidth,which is not consistent with the temporal spike *** is due to the nonlinear self-focusing effect and multi-pulse accumulation *** specific reasons were analyzed based on theoretical simulation and experimental *** research work is helpful and of great significance for the construction of high-power LTCL devices.

关键词： laser-induced damage threshold low-temporal coherence light nonlinear self-focusing effect temporal spike

Theta Oscillations Support Prefrontal-hippocampal Interactions in Sequential Working Memory

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Neuroscience Bulletin 2024年第2期40卷 147-156页

作者： Minghong Su Kejia Hu Wei Liu Yunhao Wu Tao Wang Chunyan Cao Bomin Sun Shikun zhan Zheng Ye Institute of Psychology Chinese Academy of SciencesBeijing 100101China Department of Psychology University of Chinese Academy of SciencesBeijing 100049China Department of Neurosurgery Center for Functional NeurosurgeryRuijin HospitalShanghai Jiao Tong University School of MedicineShanghai 200025China Institute of Neuroscience Center for Excellence in Brain Science and Intelligence TechnologyChinese Academy of SciencesShanghai 200031China

The prefrontal cortex and hippocampus may support sequential working memory beyond episodic memory and spatial *** stereoelectroencephalography(SEEG)study investigated how the dorsolateral prefrontal cortex(DLPFC)interacts with the hippocampus in the online processing of sequential *** patients with epilepsy(eight women,age 27.6±8.2 years)completed a line ordering task with SEEG recordings over the DLPFC and the *** showed longer thinking times and more recall errors when asked to arrange random lines clockwise(random trials)than to maintain ordered lines(ordered trials)before recalling the orientation of a particular ***,the ordering-related increase in thinking time and recall error was associated with a transient theta power increase in the hippocampus and a sustained theta power increase in the DLPFC(3–10 Hz).In particular,the hippocampal theta power increase correlated with the memory precision of line ***,theta phase coherences between the DLPFC and hippocampus were enhanced for ordering,especially for more precisely memorized ***,the theta band DLPFC→hippocampus influence was selectively enhanced for ordering,especially for more precisely memorized *** study suggests that theta oscillations may support DLPFC-hippocampal interactions in the online processing of sequential information.

关键词： Sequential working memory Hippocampus Dorsolateral prefrontal cortex Theta oscillations Stereoelectroencephalography(SEEG) Phase coherence Granger causality

Comprehensive evaluation of an ionic liquid based deep purification process for NH_(3)-containing industrial gas

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Journal of Environmental Sciences 2024年第2期136卷 698-708页

作者： Guoxiong zhan Fei Cao Jianjun Chen Zhen Chen Yuanmeng Duan Fei Chang Shaojuan Zeng Yinge Bai Zengxi Li Xiangping zhang Junhua Li State Key Joint Laboratory of Environment Simulation and Pollution Control School of EnvironmentTsinghua UniversityBeijing 100084China Sino-Danish College University of Chinese Academy of SciencesBeijing 100049China Institute of Process Engineering Chinese Academy of SciencesBeijing 100190China College of Chemical and Engineering University of Chinese Academy of SciencesBeijing 100049China

Ammonia(NH_(3))emission has caused serious environment issues and aroused worldwide *** emerging ionic liquid(IL)provides a greener way to efficiently capture NH_(3).This paper provides rigorous process simulation,optimization and assessment for a novel NH_(3)deep purification process using *** process was designed and investigated by simulation and optimization using ionic liquid[C_(4)im][NTF_(2)]as *** objective functions,total purification cost(TPC),total process CO_(2)emission(TPCOE)and thermal efficiency(ηeff)were employed to optimize the absorption *** simulation and optimization results indicate that at same purification standard and recovery rate,the novel process can achieve lower cost and CO_(2)emission compared to benchmark *** process optimization,the optimal functions can achieve 0.02726$/Nm~3(TPC),311.27 kg CO_(2)/hr(TP-COE),and 52.21%(ηeff)for enhanced ***,compared with conventional process,novel process could decrease over$3 million of purification cost and 10000 tons of CO_(2)emission during the life *** results provide a novel strategy and guidance for deep purification of NH_(3)capture.

关键词： NH_(3) Capture Process Ionic Liquid Process Simulation Process Optimization Deep purification

Dissolved organic matter accelerates microbial degradation of 17 alpha-ethinylestradiol in the presence of iron mineral

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Journal of Environmental Sciences 2024年第5期139卷 364-376页

作者： Huan He Min Shi Xiaoxia Yang Juhong zhan Yanting Lin Ziwei Guo Zhicheng Liao Chaochao Lai Xiaomin Ren Bin Huang Xuejun Pan Faculty of Environmental Science and Engineering Kunming University of Science and TechnologyKunming 650500China Yunnan Provincial Key Lab of Soil Carbon Sequestration and Pollution Control Kunming 650500China Research Institute for Environmental Innovation(Suzhou)Tsinghua Suzhou 215163China

Dissolved organic matter(DOM)and iron minerals widely existing in the natural aquatic environment can mediate the migration and transformation of organic ***,the mechanism of interaction between DOM and iron minerals in the microbial degradation of pollutants deserves further *** this study,the mechanism of 17 alphaethinylestradiol(EE2)biodegradation mediated by humic acid(HA)and three kinds of iron minerals(goethite,magnetite,and pyrite)was *** results found that HA and iron minerals significantly accelerated the biodegradation process of EE2,and the highest degradation efficiency of EE2(48%)was observed in the HA-mediated microbial system with pyrite under aerobic ***,it had been demonstrated that hydroxyl radicals(HO·)was the main active substance responsible for the microbial degradation of ***·is primarily generated through the reaction between hydrogen peroxide secreted by microorganisms and Fe(II),with aerobic conditions being more *** presence of iron minerals and HA could change the microbial communities in the EE2 biodegradation *** findings provide new information for exploring the migration and transformation of pollutants by microorganisms in iron-rich environments.

关键词： Dissolved organic matter Iron mineral 17 alpha-ethinylestradiol Biodegradation

Polymer-supported chiral palladium-based complexes as efficient heterogeneous catalysts for asymmetric reductive Heck reaction

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Green Synthesis and Catalysis 2024年第2期5卷 102-107页

作者： Hui zhang Bing Xu Liejin Zhou zhan-Ming zhang Junliang zhang College of Marine Ecology and Environment Shanghai Ocean University999 Hucheng Ring RoadShanghai 201306China Department of Chemistry Fudan University2005 Songhu RoadShanghai 200438China Graduate School of Pharmaceutical Sciences Tohoku UniversitySendai 980-8578Japan Fudan zhangjiang Institute Shanghai 201203China

Heterogeneous asymmetric catalysis is an important strategy for the industrial production of chiral ***,we reported a polymer-bound Xu-Phos-derived palladium catalyst that shows good performance in heterogeneous asymmetric reductive Heck reaction of allyl aryl *** heterogeneous catalyst was easily prepared by efficient immobilization of the sulfonamide phosphine ligand(Xu-Phos)in the cross-linked polystyrene via copolymerization,and exhibits similar catalytic activity and enantioselectivity to that of the homogeneous ***,the heterogeneous catalyst system is proved to be easily recovered and reused several times without losing catalytic activity obviously.

关键词： Heterogeneous catalysis Recoverability Palladium Hydroarylation Asymmetric catalysis

Multifunctional cellular carbon foams derived from chitosan toward self-cleaning, thermal insulation, and highly efficient microwave absorption properties

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Nano Research 2024年第3期17卷 927-938页

作者： Beibei zhan Yanling Hao Xiaosi Qi Yunpeng Qu Junfei Ding Jing-liang Yang Xiu Gong Yanli Chen Qiong Peng Wei Zhong College of Physics Guizhou Province Key Laboratory for Photoelectrics Technology and ApplicationGuizhou UniversityGuiyang 550025China Minzu Normal University of Xingyi Xingyi 562400China National Laboratory of Solid State Microstructures and Jiangsu Provincial Laboratory for NanoTechnology Nanjing UniversityNanjing 210093China

To adapt the practical demand,designing and constructing the multifunctional microwave absorbers(MAs)is the key future direction of research and ***,effective integrating the multiple functions into a single material remains a huge ***,cellular carbon foams(CCFs)with different porous structures were elaborately designed and fabricated in high efficiency through a facile continuous freeze-drying and carbonization processes using a sustainable biomass chitosan as the *** obtained results revealed that the thermal treated temperature and g-C_(3)N_(4) amount played a great impact on the carbonization degrees,pore sizes,and morphologies of CCFs,which led to their tunable electromagnetic(EM)parameters,improved conduction loss,and polarization loss *** to the special cellular structure,the designed CCFs samples simultaneously displayed the strong absorption capabilities,broad absorption bandwidths,and thin matching ***,the as-prepared CCFs exhibited the strong hydrophobicity and good thermal insulation,endowing its attractive functions of self-cleaning and thermal ***,our findings not only presented a facile approach to produce different porous structures of CCFs,but also provided an effective strategy to develop multifunctional high-performance MAs on basis of three-dimensional CCFs.

关键词： multifunctional microwave absorbers carbon foams cellular structure self-cleaning thermal insulation

Fe-N-C heterogeneous Fenton-like catalyst for the degradation of tetracycline:Fe-N coordination and mechanism studies

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Chinese Chemical Letters 2024年第9期35卷 309-314页

作者： Weichen Zhu Wei Zuo Pu Wang Wei zhan Jun zhang Lipin Li Yu Tian Hong Qi Rui Huang State Key Laboratory of Urban Water Resource and Environment(SKLUWRE) School of EnvironmentHarbin Institute of TechnologyHarbin 150090China Guangdong Yuehai Water Investment Co. Ltd.Shenzhen 518021China National Engineering Research Center of Urban Water Resources Co. Ltd.Harbin Institute of TechnologyHarbin 150090China

Fe-N-C materials have received increasing attention,due to its distinctive catalytic ***,the Fe-N coordination number dependence of catalytic ability and mechanism for H_(2)O_(2)activation remain ***,a series of Fe-N-C heterogeneous Fenton-like catalysts with different Fe-N coordination number were prepared for tetracycline *** results demonstrated that samples with Fe-N4 structure exhibited high *** excellent performance was mainly ascribed to the high adsorption capacity and the formation of superoxide radicals(•O_(2)^(−))catalyzed by Fe linked to pyridinic *** intermediates and degradation pathways of tetracycline degradation by Fe-N-C/H_(2)O_(2)system were analyzed by liquid chromatography coupled to tandem mass spectrometry(LC-MS/MS).Furthermore,we applied our Fe-N-C catalysts to treat simulated pharmaceutical wastewater with high tetracycline degradation capacity despite high concentrations of organic matter such as oxalic acid and various ionic *** work reveals the dependence of the activation H_(2)O_(2)on the Fe-N coordination environment and the degradation mechanism of these *** provides insights into the prospects for tuning the catalyst in practical applications.

关键词： H_(2)O_(2)activation Advanced oxidation process Superoxide radicals Degradation pathways EXAFS

Rice planting acceleration of the activation and loss of soil iron in the red soil region of southern China

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Soil Ecology Letters 2024年第2期6卷 179-187页

作者： San’an Nie Jie Fan Ningxiang Ouyang Hao Sheng Yangzhu zhang Xiong Yan zhan Yu College of Resources Hunan Agricultural UniversityChangsha410125China School of Economic Geography Hunan University of Finance and EconomicsChangsha410205China Zunyi Normal University Zunyi563006China

Rice planting decreased total iron but increased active *** activation varied greatly among different paddy soils but not in woodland *** soil iron was mainly affected by pH,SOC and particle *** decrease of soil Fe wa... 详细信息

关键词： paddy soil iron forms parent material rice planting Fe activation