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Pairs of thiol-substituted 1,2,4-triazole-based isomeric covalent inhibitors with tunable reactivity and selectivity

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Chinese Chemical Letters 2024年第7期35卷 329-335页

作者： Shiqi Xu Zi Ye Shuang Shang Fengge Wang huan Zhang Lianguo chen Hao Lin chen chen Fang hua Chong-Jing Zhang State Key Laboratory of Bioactive Substance and Function of Natural Medicines Beijing Key Laboratory of Active Substance Discovery and Druggability EvaluationInstitute of Materia MedicaChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijing 100050China State Key Laboratory of Bioactive Substance and Function of Natural Medicines Beijing Key Laboratory of New Drug Mechanisms and Pharmacological Evaluation Study(BZ0150)Institute of Materia MedicaPeking Union Medical College and Chinese Academy of Medical SciencesBeijing 100050China The First Affiliated Hospital of Wenzhou Medical University Wenzhou 325000China

Covalent bioactive compounds are successfully used in clinic and attracted intense research efforts in the fundamental study as well as drug *** advantageous effects of covalent compounds compared with non-covalent ones are highly dependent on electrophilic ***,electrophilic warheads with tunable reactivity and selectivity are highly demanded in fields of medicinal chemistry and chemical ***,we report a novel electrophilic warhead,chloromethyl group activated by thiol-substituted 1,2,***,a pair of regioisomers could be simultaneously occurred in the step of alkylation during the synthesis of this unique *** is a rare example that the alkylation could simultaneously generate these two separable regioisomers of 1,2,4-triazole at the nitrogen or sulfur *** covalent-working mechanism of this new warhead is confirmed by various chemoproteomics experiments including target identification and binding site ***,the reactivity and selectivity of this new electrophilic warhead could be efficiently tuned by virtue of stereo ***,one pair of regioisomers(19S and 19X)induced distinct modes of cell *** 19S could induce apoptosis of colon cancer cells while 19X could induce both apoptosis and ***,this study provides pairs of novel electrophilic warheads that could be useful not only in supporting the design of covalent compounds for drug discovery but also in providing chemical probes for the fundamental biological study.

关键词： Electrophilic warhead Covalent inhibitor 1,2,4-Triazole Chemical proteomics GSTO1

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Machine learning-based comparison of factors influencing estimated glomerular filtration rate in Chinese women with or without nonalcoholic fatty liver

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World Journal of Clinical Cases 2024年第15期12卷 2506-2521页

作者： I-chien chen Lin-Ju Chou Shih-chen huang Ta-Wei Chu Shang-Sen Lee Department of Nursing Kaohsiung Armed Forces General HospitalKaohsiung 802Taiwan Department of Obstetrics and Gynecology Tri-Service General HospitalNational Defense Medical CenterTaipei 114Taiwan Chief Executive Officer's Office MJ Health Research FoundationTaipei 114Taiwan Department of Urology Taichung Tzu Chi HospitalBuddhist Tzu Chi Medical FoundationTaichung 427Taiwan School of Medicine Tzu Chi UniversityHualian 970Taiwan Department of Urology Tri-Service General HospitalNational Defense Medical CenterTaipei 114Taiwan

BACKGROUND The prevalence of non-alcoholic fatty liver(NAFLD)has increased *** with NAFLD are known to have higher chance for renal function *** past studies used traditional multiple linear regression(MLR)to identify risk factors for decreased estimated glomerular filtration rate(eGFR).However,medical research is increasingly relying on emerging machine learning(Mach-L)*** present study enrolled healthy women to identify factors affecting eGFR in subjects with and without NAFLD(NAFLD+,NAFLD-)and to rank their *** To uses three different Mach-L methods to identify key impact factors for eGFR in healthy women with and without *** A total of 65535 healthy female study participants were enrolled from the Taiwan MJ cohort,accounting for 32 independent variables including demographic,biochemistry and lifestyle parameters(independent variables),while eGFR was used as the dependent *** from MLR,three Mach-L methods were applied,including stochastic gradient boosting,eXtreme gradient boosting and elastic *** of estimation were used to define method accuracy,where smaller degree of error indicated better model *** Income,albumin,eGFR,High density lipoprotein-Cholesterol,phosphorus,forced expiratory volume in one second(FEV1),and sleep time were all lower in the NAFLD+group,while other factors were all significantly higher except for smoking ***-L had lower estimation errors,thus outperforming *** Model 1,age,uric acid(UA),FEV1,plasma calcium level(Ca),plasma albumin level(Alb)and T-bilirubin were the most important factors in the NAFLD+group,as opposed to age,UA,FEV1,Alb,lactic dehydrogenase(LDH)and Ca for the *** the importance percentage was much higher than the 2nd important factor,we built Model 2 by removing *** The eGFR were lower in the NAFLD+group compared to the NAFLD-group,with age being was the most important impact factor in both groups of he

关键词： Non-alcoholic fatty liver Estimated glomerular filtration rate Machine learning Chinese women

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Long-wave infrared emission properties of strain-balanced InAs/In_(x)Ga_(1-x)As_(y)Sb_(1-y)type-Ⅱsuperlattice on different substrates

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Rare Metals 2024年第7期43卷 3194-3204页

作者： Chao Shi Xuan Fang Hong-Bin Zhao Deng-Kui Wang Xi chen Dan Fang Dong-Bo Wang Xiao-hua Wang Jin-hua Li State Key Laboratory of High Power Semiconductor Lasers School of PhysicsChangchun University of Science and TechnologyChangchun 130022China State Key Laboratory of Advanced Materials for Smart Sensing China General Research Institute for Nonferrous MetalsBeijing 100088China Department of Opto-Electronic Information Science School of Materials Science and EngineeringHarbin Institute of TechnologyHarbin 150001China

High-performance type-Ⅱsuperlattices ofⅢ-Ⅴsemiconductor materials play an important role in the development and application of infrared optoelectronic *** the quality of epitaxial materials and clarifying the luminescent mechanism are of great significance for practic al applic *** this work,strain-balanced and high-quality In As/In_(x)Ga_(1-x)As_(y)Sb_(1-y)superlattices without lattice mismatch were achieved on InAs and GaSb substrates *** grown on In As substrate could exhibit higher crystal quality and surface flatness based on high-resolution X-ray diffraction(HRXRD)and atomic force microscopy(AFM)measurements'***,the strain distribution phenomenon from geometric phase analysis indicates that fluctuations of alloy compositions in superlattices on GaSb substrate are more *** addition,the optical properties of superlattices grown on different substrates are discussed *** of the difference in fluctuations of element composition and interface roughness of superlattices on different substrates,the superlattices grown on In As substrate would have higher integral intensity and narrower full-width at half maximum of long-wave infrared ***,the thermal quenching of emission intensity indicates that the superlattices grown on the In As substrate have better recombination ability,which is beneficial for increasing the operating temperature of infrared optoelectronic devices based on this type of superlattices.

关键词： Photoluminescence Alloy compositions fluctuations InAs(Sb)/In_(x)Ga_(1-x)As_(y)Sb_(1-y) Type-Ⅱsuperlattice Substrate

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Enhanced wide-angle third-harmonic generation in flat-band-engineered quasi-BIC metagratings

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Science China(Physics,Mechanics & Astronomy) 2024年第4期67卷 81-87页

作者： Yijia Zang Ruoheng Chai Wenwei Liu Zhancheng Li hua cheng Jianguo Tian Shuqi chen The Key Laboratory of Weak Light Nonlinear Photonics Ministry of EducationSchool of Physics and TEDA Institute of Applied PhysicsNankai UniversityTianjin 300071China School of Materials Science and Engineering Smart Sensing Interdisciplinary Science CenterNankai UniversityTianjin 300350China The Collaborative Innovation Center of Extreme Optics Shanxi UniversityTaiyuan 030006China

Nonlinear metasurfaces and photonic crystals provide a significant way to generate and manipulate nonlinear signals owing to the resonance-and symmetry-based light-matter interactions supported by the artificial ***,the nonlinear conversion efficiency is generally limited by the angular dispersion of optical resonances especially in nonparaxial ***,we propose a metagrating realizing a quasi-bound-state in the continuum in a flat band to dramatically improve the third harmonic generation(THG)efficiency.A superior operating angular range is achieved based on the interlayer and intralayer couplings,which are introduced by breaking the mirror symmetry of the *** demonstrate the relation of angular dispersion between the nonlinear and linear responses at different incident *** also elucidate the mechanism of these offaxis flat-band-based nonlinear conversions through different mode *** scheme provides a robust and analytical way for nonparaxial nonlinear generation and paves the way for further applications such as wide-angle nonlinear information transmission and enhanced nonlinear generation under tight focusing.

关键词： nonlinear metasurfaces quasi-bound-state in the continuum angular dispersion third harmonic generation efficiency

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Different timing for abdominal paracentesis catheter placement and drainage in severe acute pancreatitis complicated by intraabdominal fluid accumulation

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World Journal of Gastrointestinal Surgery 2024年第1期16卷 134-142页

作者： Rui chen hua-Qiang chen Rui-Die Li Hui-Min Lu Department of General Surgery Chengdu Sixth People’s HospitalChengdu 610058Sichuan ProvinceChina West China Center of Exellence for Pancreatitis Institute of Integrated Traditional Chinese and Western MedicineWest ChinaDivision of Pancreatic SurgeryDepartment of General SurgeryWest China HospitalSichuan UniversityChengdu 610041Sichuan ProvinceChina HospitalSichuan University

BACKGROUND Non-surgical methods such as percutaneous drainage are crucial for the treatment of patients with severe acute pancreatitis(SAP).However,there is still an ongoing debate regarding the optimal timing for abdominal paracentesis catheter place-ment and *** To explore the influence of different timing for abdominal paracentesis catheter placement and drainage in SAP complicated by intra-abdominal fluid *** Using a retrospective approach,184 cases of SAP complicated by intra-abdominal fluid accumulation were enrolled and categorized into three groups based on the timing of catheter placement:group A(catheter placement within 2 d of symptom onset,n=89),group B(catheter placement between days 3 and 5 after symptom onset,n=55),and group C(catheter placement between days 6 and 7 after symptom onset,n=40).The differences in progression rate,mortality rate,and the number of cases with organ dysfunction were compared among the three *** The progression rate of group A was significantly lower than those in groups B and groups C(2.25%vs 21.82%and 32.50%,P0.05).At postoperative day 3,the levels of C-reactive protein(55.41±19.32 mg/L vs 82.25±20.41 mg/L and 88.65±19.14 mg/L,P<0.05),procalcitonin(1.36±0.51 ng/mL vs 3.20±0.97 ng/mL and 3.41±0.98 ng/mL,P<0.05),tumor necrosis factor-alpha(15.12±6.63 pg/L vs 22.26±9.96 pg/L and 23.39±9.12 pg/L,P<0.05),interleukin-6(332.14±90.16 ng/L vs 412.20±88.50 ng/L and 420.08±87.65ng/L,P<0.05),interleukin-8(415.54±68.43 ng/L vs 505.80±66.90 ng/L and 510.43±68.23ng/L,P<0.05)and serum amyloid A(270.06±78.49 mg/L vs 344.41±81.96 mg/L and 350.60±80.42 mg/L,P<0.05)were significantly lower in group A compared to those in groups B and group *** length of hospit

关键词： Abdominal paracentesis catheter drainage Timing Severe acute pancreatitis Intra-abdominal fluid Application value

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Sn-doped cobalt containing perovskite as the air electrode for highly active and durable reversible protonic ceramic electrochemical cells

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Journal of Advanced Ceramics 2024年第1期13卷 63-72页

作者： Min Fu Wenjing Hu hua Tong Xin Ling Linggui Tan Fanglin chen Zetian Tao School of Resources Environment and Safety EngineeringUniversity of South ChinaHengyang 421001China Department of Mechanical Engineering University of South CarolinaColumbia 29208USA

One potential solution to the problems of energy storage and conversion is the use of reversible protonic ceramic electrochemical cells(R-PCEC),which are based on the solid oxide fuel cell(SOFC)technology and offer a flexible route to the generation of renewable ***,the R-PCEC development faces a range of significant challenges,including slow oxygen reaction kinetics,inadequate durability,and poor round-trip efficiency resulting from the inadequacy of an air *** address these issues,we report novel B-sites doped Pr_(0.5)Ba_(0.5)Co_(0.7)Fe_(0.3)O_(3−δ)(PBCF)with varying amounts of Sn as the air electrode for R-PCEC to further enhance electrochemical performance at lower *** 600℃,R-PCEC with an air electrode consisting of Pr_(0.5)Ba_(0.5)Co_(0.7)Fe_(0.25)Sn_(0.05)O_(3+δ)has achieved peak power density of 1.12 W∙cm^(−2) in the fuel cell mode and current density of 1.79 A∙cm^(−2) in the electrolysis mode at a voltage of 1.3 ***,R-PCECs have shown good stability in the electrolysis mode of 100 *** study presents a practical method for developing durable high-performance air electrodes for R-PCECs.

关键词： triple conducting oxide dual-element doping protonic ceramic electrochemical cells(PCECs) catalytic

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Electrochemically recycling degraded superalloy and valorizing CO_(2)in the aff ordable borate-modified molten electrolyte

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Tungsten 2024年第2期6卷 382-393页

作者： Xiang chen Yuan Sun Long Wang Xin Qu Yan Zhao Hong-Wei Xie Di-hua Wang hua-Yi Yin Key Laboratory for Ecological Metallurgy of Multimetallic Mineral of Ministry of Education School of MetallurgyNortheastern UniversityShenyang 110819China Institute of Metal Research Chinese Academy of ScienceShenyang 110016China School of Resource and Environmental Science Wuhan UniversityWuhan 430072China

Integrating electrochemical reduction of CO_(2)and electrochemical oxidation to recycle degraded superalloys is a promising solution to ease resource scarcity and safeguard environmental ***,we propose an electrochemical technique for the conversion of bulk superalloy scraps and CO_(2)into oxide powder at the anode and solid carbon at the cathode,*** particular,a borax-modifi ed CaCl_(2)-based molten salt electrolyte is used for enhancing the electrochemical oxidation of superalloy *** a temperature of 700℃and a voltage of 2.8 V,90.55 wt.%of alloy scraps were oxidized in a molten CaCl_(2)–NaCl–CaCO_(3)–Na_(2)B_(4)O_(7)with an acid–base ratio(K_(a/b))of *** synergy of Cl−and B_(4)O_(7)2−of electrolyte prevents the passivation of the alloy anode and enables continuous ***,the Ni and Co in the anode products are recovered by sulfation roasting with recovery efficiencies of 85.58%and 95.27%for Ni and Co,***,modulating the alkalinity of the electrolyte for enhancing oxidation/pulverization of alloy scrap anode provides new insight into electrochemically recovering superalloy scraps.

关键词： Superalloy scraps Recycling Molten salt Alkalinity Electrochemical oxidation Cobalt

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Comparison of different preoperative objective nutritional indices for evaluating 30-d mortality and complications after liver transplantation

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World Journal of Gastrointestinal Surgery 2024年第1期16卷 143-154页

作者： Chuan Li Hong-Xia chen Yan-hua Lai Department of Transplantation People’s Hospital of Guangxi Zhuang Autonomous RegionNanning 530021Guangxi Zhuang Autonomous RegionChina Department of Clinical Pharmacy People’s Hospital of Guangxi Zhuang Autonomous RegionNanning 530021Guangxi Zhuang Autonomous RegionChina

BACKGROUND The nutritional status is closely related to the prognosis of liver transplant re-cipients,but few studies have reported the role of preoperative objective nutri-tional indices in predicting liver transplant *** To compare the predictive value of various preoperative objective nutritional indicators for determining 30-d mortality and complications following liver transplantation(LT).METHODS A retrospective analysis was conducted on 162 recipients who underwent LT at our institution from December 2019 to June *** This study identified several independent risk factors associated with 30-d mor-tality,including blood loss,the prognostic nutritional index(PNI),the nutritional risk index(NRI),and the control nutritional *** 30-d mortality rate was 8.6%.Blood loss,the NRI,and the PNI were found to be independent risk factors for the occurrence of severe postoperative *** NRI achieved the highest prediction values for 30-d mortality[area under the curve(AUC)=0.861,P<0.001]and severe complications(AUC=0.643,P=0.011).Compared to those in the high NRI group,the low patients in the NRI group had lower preoperative body mass index and prealbumin and albumin levels,as well as higher alanine aminotransferase and total bilirubin levels,Model for End-stage Liver Disease scores and prothrombin time(P<0.05).Furthermore,the group with a low NRI exhibited significantly greater incidences of intraabdominal bleeding,primary graft nonfunction,and *** The NRI has good predictive value for 30-d mortality and severe complications following *** NRI could be an effective tool for transplant surgeons to evaluate perioperative nutritional risk and develop relevant nutritional therapy.

关键词： Liver transplantation Nutritional indicator Complications Prognosis Nutrition assessment

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Effect of Small Needle Knife on Autophagy and TGF-β in Synovial Fluid of KOA Rats

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Chinese Journal of Biomedical Engineering(English Edition) 2024年第1期33卷 33-39页

作者： ZHENG Kang-hua LIN Zeng-ping chen Yong Fujian Provincial 2nd People's Hospital Affiliated Hospital of Fujian University of Traditional Chinese MedicineFuzhou Fujian 350003China College of Integrative Chinese and Western Medicine Fujian University of Traditional Chinese MedicineFuzhou Fujian 350122China

Objective:To explore the effects of small needle knife on the autophagy function of synovium and the expression of TGF-βin synovial fluid of KOA rats,so as to provide a new theoretical basis for the treatment of ***:48 SD rats were randomly divided into blank control group,model group,drug group and acupotomy *** blank control group maintained the original feeding without any intervention,the model group adopted the sodium monoiodoacetate injection method to prepare the KOA rat model without any intervention,the drug group prepared the KOA rat model and then treated with tripterine by gavage,and the needle knife group treated the KOA rat model with small needle *** expression levels of autophagy-related proteins in synovial tissues were detected by immunohistochemistry and Western blotting,and the content of TGF-βin synovial fluid was measured by ***:Compared with the blank control group,Beclin-1,Caspase-3 and Bax were up-regulated and m TOR was down-regulated in the model ***-1,m TOR,Caspase-3 and Bax were up-regulated in the drug *** was no significant difference in the expression of autophagy-related proteins Beclin-1(0.28±0.09)and m TOR(0.45±0.12)between the acupotomy group and the blank control group,while Caspase-3(0.17±0.03)and Bax(0.30±0.01)were *** expression level of TGF-βin synovial fluid in the small needle knife group was(0.29±0.09),which was similar to that in the blank control group,and was significantly higher than that in the model ***:Small needle knife treatment can promote the recovery of synovial autophagy in KOA rats,and reduce the level of TGF-βin synovial fluid,and can play a clinical role in the treatment of KOA by regulating the expression of synovial autophagy and TGF-β.

关键词： small needle knife knee osteoarthritis(KOA) synovium autophagy transforming growth factorβ(TGF-β)

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Propagation and Dispersion Characteristics of Scholte Wave in VTI Media with the Presence of Irregular Seabed

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Journal of Earth Science 2024年第2期35卷 722-725页

作者： Xiaobo Liu Yun Wang Jianlei Zhang Haifeng chen hua Zhang School of Ocean Sciences China University of GeosciencesBeijing 100083China Key Laboratory of Polar Geology and Marine Mineral Resources China University of GeosciencesBeijing 100083China School of Geophysics and Information Technology China University of GeosciencesBeijing 100083China Research&Development Center BGP IncCNPCZhuozhou 072751China National Engineering Research Center for Oil and Gas Exploration Computer Software Beijing 100080China

INTRODUCTION Surface waves propagating along the seafloor are general ly called Scholte waves,and were first discovered and studied in the early 1950s(Kugler et al.,2005;Buchen and Ben-Hador,1996).Scholte waves exhibit a dispersion phenomenon,which implies that their velocity varies with ***-frequency Scholte waves can propagate over long distances on the seabed with little attenuation(Bohlen et al.,2004).The particle mo tion of Scholte waves in a solid medium changes from a retro grade to a prograde ellipse(Klein et al.,2005;McMechan and Yedlin,1981).

关键词： seabed Dispersion implies

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