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Amino acids modified nanoscale zero-valent iron:Density functional theory calculations,experimental synthesis and application in the Fenton-like degradation of organic solvents

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Journal of environmental Sciences 2024年第1期135卷 296-309页

作者： Xingchen Yang Fucheng ming Jianlong wang Lejin Xu Department of Nuclear engineering and Technology School of Energy and Power EngineeringHuazhong University of Science and TechnologyWuhan 430074China China-eU Institute for Clean and Renewable energy Huazhong University of Science and TechnologyWuhan 430074China Institute of Nuclear and New energy Technology Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of EducationTsinghua UniversityBeijing 100084China Beijing Key Laboratory of Radioactive Wastes Treatment Tsinghua UniversityBeijing 100084China

To improve the adsorption and catalytic performance of heterogeneous Fenton-like catalysts for oil wastes,amino acids were used to modify nanoscale zero-valent iron(AA@Fe^(0)),which were applied in the Fenton-like degradation of organic solvents(tributyl phosphate and n-dodecane,named TBP and DD).Twelve amino acids,i.e.,glycine(Gly),alanine(Ala),leucine(Leu),proline(Pro),phenylalanine(Phe),methionine(Met),cysteine(Cys),asparagine(Asn),serine(Ser),glutamic acid(Glu),lysine(Lys)and arginine(Arg),were selected and calculated by density functional theory(DFT).The optimized structure,charge distribution,the highest occupied molecular orbital(HOMO),the lowest unoccupied molecular orbital(LUMO),interaction region indicator(IRI)isosurface map and adsorption energy of AA@Fe^(0),AA@Fe^(0)-TBP and AA@Fe^(0)-DD were studied,which indicated that Fe is more likely to approach and charge transfer with-COO and-NH_(3) on theα-carbon of amino *** is strong attraction between Fe and–COO,and Van der Waals force between Fe and-NH_(3),*** the interaction of AA@Fe^(0)with TBP and DD,Van der Waal force plays an important ***@Fe^(0)was synthesized in laboratory and characterized to investigate physicochemical *** Fenton-like degradation of organic solvents,the change of COD in water phase during the degradation process as well as the volume of the organic phase after the reaction were *** results of calculations combined with experiments showed that Ser-modified Fe^(0)performed the best in these amino acids,with 98%removal of organic solvents.A possible catalytic mechanism was proposed in which amino acids acted a linking role between Fe and organic solvents,activating H_(2)O_(2)to generate hydroxyl radicals for the degradation of organic solvents.

关键词： Amino acids Nanoscale zero-valent iron Density functional theory Organic solvents Fenton-like degradation

TuBG1 promotes hepatocellular carcinoma via ATR/P53-apoptosis and cycling pathways

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Hepatobiliary & Pancreatic Diseases International 2024年第2期23卷 195-209页

作者： Yan Zhang Zhen-Zhen wang An-Qi Han ming-Ya Yang Li-Xin Zhu Fa-ming Pan Yong wang Department of General Surgery The Second Hospital of Anhui Medical UniversityHefei 230601China Department of General Surgery The First Affiliated Hospital of Anhui Medical UniversityHefei 230022China Department of epidemiology and Biostatistics School of Public HealthAnhui Medical UniversityHefei 230032China The Key Laboratory of Major Autoimmune Diseases Anhui Medical UniversityHefei 230032China

Background:As reported,γ-tubulin(TuBG1)is related to the occurrence and development of various types of malignant ***,its role in hepatocellular cancer(HCC)is not *** present study was to investigate the relationship between TuBG1 and clinical parameters and survival in HCC ***:The correlation between TuBG1 and clinical parameters and survival in HCC patients was ex-plored by bioinformatics *** was used for the *** molecular function of TuBG1 was measured using colony formation,scratch assay,trans-well assay and flow *** set enrichment analysis(GSeA)was used to pick up the enriched pathways,followed by investigating the target pathways using Western *** tumor-immune system interactions and drug bank database(TISIDB)was used to evaluate TuBG1 and *** on the TuBG1-related immune genes,a prognostic model was constructed and was further validated internally and ***:The bioinformatic analysis found high expressed TuBG1 in HCC tissue,which was confirmed us-ing immunohistochemistry and Western *** silencing the TuBG1 in HCC cell lines,more G1 arrested cells were found,cell proliferation and invasion were inhibited,and apoptosis was ***,the silence of TuBG1 increased the expressions of Ataxia-Telangiectasia and Rad-3(ATR),phospho-P38 mitogen-activated protein kinase(P-P38MAPK),phospho-P53(P-P53),B-cell lymphoma-2 associated X protein(Bax),cleaved caspase 3 and P21;decreased the expressions of B-cell lymphoma-2(Bcl-2),cyclin D1,cyclin e2,cyclin-dependent kinase 2(CDK2)and *** correlation analysis of immunohistochemistry and clinical parameters and survival data revealed that TuBG1 was negatively corre-lated with the overall *** constructed immune prognosis model could effectively evaluate the ***:The increased expression of TuBG1 in HCC is associated with poor prognosis,which might be involved in the oc

关键词： TuBG1 Hepatocellular carcinoma Apoptosis Cell cycling Immunomodulators

No Incidence of Liver Cancer Was Observed in A Retrospective Studyof Patients with Aristolochic Acid Nephropathy

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Chinese Journal of Integrative Medicine 2024年第2期30卷 99-106页

作者： SU Tao FANG Zhi-e GUO Yu-ming wang Chun-yu wang Jia-bo JI Dong BAI Zhao-fang YANG Li XiAO Xiao-he Renal Division Department of MedicinePeking University First HospitalBeijing(100034)China Department of Pharmacy Chongqing Hospital of Traditional Chinese MedicineChongqing(400021)China Department of Hepatology Fifth Medical Center of Chinese PLA General HospitalBeijing(100039)China China Military Institute of Chinese Materia Fifth Medical Center of Chinese PLA General HospitalBeijing(100039)China Phase I Clinical Trials Unit Department of Medicine for Infectious DiseasesFifth Medical Center of Chinese PLA General HospitalBeijing(100039)China Department of Pharmacy Affiliated Hospital of Shandong University of Traditional Chinese MedicineJinan(250000)China National Key Laboratory of Kidney Diseases Beijing(100039)China

Objective:To assess the risk of aristolochic acid(AA)-associated cancer in patients with AA nephropathy(AAN).Methods:A retrospective study was conducted on patients diagnosed with AAN at Peking University First Hospital from January 1997 to December ***-term surveillance and follow-up data were analyzed to investigate the influence of different factors on the prevalence of *** primary endpoint was the incidence of liver cancer,and the secondary endpoint was the incidence of urinary cancer during 1 year after taking AA-containing medication to ***:A total of 337 patients diagnosed with AAN were included in this *** the initiation of taking AA to the termination of follow-up,39 patients were diagnosed with *** cases of liver cancer were observed throughout the entire follow-up period,with urinary cancer being the predominant type(34/39,87.17%).Logistic regression analysis showed that age,follow-up period,and diabetes were potential risk factors,however,the dosage of the drug was not significantly associated with urinary ***:No cases of liver cancer were observed at the end of ***,a high prevalence of urinary cancer was observed in AAN *** a direct causality between AA and HCC is challenging.

关键词： aristolochic acid hepatocellular carcinoma urinary cancer drug safety retrospective study

Antifertility effects of eP-1 (quinestrol and levonorgestrel) on Pacific rats (Rattus exulans)

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Integrative Zoology 2024年第1期19卷 127-142页

作者： Jing LIU Feiyun TU ming LIU Jichao wang Zhibin ZHANG Ministry of education Key Laboratory for ecology of Tropical Islands Key Laboratory of Tropical Animal and Plant Ecology of Hainan ProvinceCollege of Life SciencesHainan Normal UniversityHaikouHainanChina Secretariat Office International Society of Zoological Science and Society and Journal OfficeInstitute of ZoologyChinese Academy of SciencesBeijingChina State Key Laboratory of Integrated Management of Pest Insects and Rodents Institute of ZoologyChinese Academy of SciencesBeijingChina CAS Center for excellence in Biotic Interactions University of Chinese Academy of SciencesBeijingChina

Pest rodents pose a serious threat to island *** control could be an alternative approach to control the impact of rodents on these *** this study,we examined the antifertility effects of eP-1 baits containing quinestrol(e)and levonorgestrel(P)using a dose of 50 ppm e and P at three different ratios(e:P ratio=1:2,1:1,and 2:1)on Pacific rats(Rattus exulans)in the Xisha Islands,Hainan,*** to the control group,all animals in eP-1 treatment groups showed significantly decreased food intake and body *** treated males,there were obvious abnormalities in testis structure and a significant decrease of relative seminal vesicle weight,but no significant effect on relative uterine and ovarian weights(g kg-1 body weight),or ovarian structure in *** 8%sucrose to the original 50-ppm baits(e:P ratio=1:1)significantly increased bait palatability for males and *** dose induced uterine edema and abnormalities of ovarian structure in females but had no significant negative effect on the relative testis,epididymis,and seminal vesicle weights(g kg-1 body weight)or sperm density in *** summary,50-ppm eP-1(1:1)baits have the potential to disrupt the fertility of females,and 8%sucrose addition to the eP-1 baits(e:P ratio=1:1)could improve bait *** dose disrupted the testis structure in *** studies are needed to improve bait acceptance and assess the antifertility effects of eP-1(1:1)on Pacific rats in captive breeding trials and underfield conditions.

关键词： eP-1 fertility control island biodiversity conservation levonorgestrel quinestrol Rattus exulans

Times of a Branching Process with Immigration in Varying environments Attaining a Fixed Level

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Acta Mathematica Sinica,english Series 2024年

作者： Hua-ming wang School of Mathematics and Statistics Anhui Normal University

Consider a branching process{Z_n}n≥0with immigration in varying *** a∈{0,1,2,...},let C（a）={n≥0:Z_n=a}be the collection of times at which the population size of the process attains level *** give a criterion to determine whether the set C（a） is finite or *** the critical Galton-Watson process,based on a moment method,we show that|C（a）∩[1,n]|/log n→Sin distribution,where S is an exponentially distributed random variable with P （S>t）=e-t,t>0.

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Sequential enantioselective Ugi-4CR/post-Ugi transformation strategy:a precise construction of structurally diverse azaspiro polycyclic scaffolds

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Science China Chemistry 2024年第2期67卷 576-586页

作者： Xiao-Bao Wu Jun-Xiu Shi Yi-ming Ou Hua-Jie Jiang Yi-Jun Fang Qi-ming wang Quan Gao Jie Yu Department of Applied Chemistry Anhui Province Engineering Laboratory for Green Pesticide Development and ApplicationAnhui Province Key Laboratory of Crop Integrated Pest ManagementAnhui Agricultural UniversityHefei230036China

A privileged strategy has been developed for the precise construction of enantioenriched azaspiro polycyclic *** diverse azaspiro polycycles bearing multiple contiguous stereocenters are obtained with excellent results(up to 99:1 e.r.,>95:5 d.r.) via sequential enantioselective four-component Ugi reactions/post-Ugi transformations with substrates containing prerequisite functional groups in the presence of anionic stereogenic-at-cobalt(Ⅲ) complexes.

关键词： asymmetric catalysis post-Ugi transformation anionic stereogenic-at-cobalt(Ⅲ)complex azaspiro polycyclic scaffold one-pot synthesis

efficacy of Huoxue Qianyang Qutan Recipe on essential hypertension:A randomized,double-blind,placebo-controlled trial

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Journal of Integrative Medicine 2024年第4期22卷 484-492页

作者： Jun Xie Yu-long Ma ming-tai Gui Lei Yao Jian-hua Li ming-zhu wang Xun-jie Zhou Yi-fan wang ming-yi Zhao Hui Cao Bo Lu De-yu Fu Department of Cardiology Yueyang Hospital of Integrated Traditional Chinese and Western MedicineShanghai University of Traditional Chinese MedicineShanghai 200437China Shanghai University of Traditional Chinese Medicine Shanghai 200120China

Background:Hypertension,a prevalent disease,is a significant risk factor for coronary heart *** Qianyang Qutan Recipe (HQQR),a traditional Chinese herbal remedy,has been used for treating hypertension over several ***:This study assesses HQQR’s efficacy for controlling blood pressure among patients with hypertension related to blood stasis,yang hyperactivity and ***,setting,participants and interventions:A randomized controlled trial was conducted at the Yueyang Hospital of Integrated Traditional Chinese and Western Medicine,Shanghai University of Traditional Chinese Medicine,China,from July 2020 to June *** components of HQQR were identified using thin-layer chromatography and high-performance liquid *** aged18–80 years,exhibiting traditional Chinese medicine syndromes of blood stasis,yang hyperactivity or phlegm,along with grades 1 or 2 hypertension,were randomly categorized into two *** intervention group was given HQQR granules alongside conventional hypertension treatment,while the control group was given placebo granules in addition to conventional treatment for 12 *** outcome measures:The primary outcome was clinic blood pressure,whereas secondary outcomes included metabolic indices (e.g.,homeostasis model assessment of insulin resistance[HOMA-IR],total cholesterol[TC],low-density lipoprotein cholesterol and triglyceride),target organ damage indices (left ventricular mass index and urinary albumin creatinine ratio[UACR]) and inflammation indices(interleukin-6[IL-6]and high-sensitivity C-reactive protein[hs-CRP]).Results:HQQR’s primary components were identified as salvianolic acid B,emodin and ferulic *** the 216 participants (108 in each group),compared to the control,the intervention group exhibited significant improvements (Pessure ([136.24±7.63]vs[130.06±8.50]mmHg),clinic diastolic blood pressure ([84.34±8.72]vs[80.46±6.05]mmHg),home systol

关键词： Huoxue Qianyang Qutan Recipe Hypertension Target organ damage Glycolipid metabolism Inflammatory Chinese herbal compound

Run-and-Tumble Dynamics and Mechanotaxis Discovered in Microglial Migration

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Research 2024年第2期2023卷 95-103页

作者： Yiyu Zhang Da Wei Xiaochen wang Boyi wang ming Li Haiping Fang Yi Peng Qihui Fan Fangfu Ye Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China Wenzhou Institute University of Chinese Academy of SciencesWenzhouZhejang 325000China Songshan Lake Materials Laboratory DongguanGuangdong 523808China School of Science East China University of Science and TechnologyShanghai 200237China Oujang Laboratory(Zhejiang Lab for Regenerative Medicine Vision and Brain Health)WenzhouZhejiang 325000China

Microglia are resident macrophage cells in the central nervous system that search for pathogens or abnormal neural activities and migrate to resolve the *** effective search and targeted motion of macrophages mean dearly to maintaining a healthy brain,yet little is known about their migration *** this work,we study microglial motion with and without the presence of external *** discover that the cells are promptly attracted by the applied forces(i.e.,mechanotaxis),which is a tactic behavior as yet unconfirmed in ***,in both the explorative and the targeted migration,microglia display dynamics that is strikingly analogous to bacterial run-and-tumble motion.A closer examination reveals that microglial run-and-tumble is more sophisticated,e.g.,they display a short-term memory when tumbling and rely on active steering during runs to achieve mechanotaxis,probably via the responses of mechanosensitive ion *** differences reflect the sharp contrast between microglia and bacteria cells(eukaryotes ***)and their environments(compact tissue ***).Further analyses suggest that the reported migration dynamics has an optimal search efficiency and is shared among a subset of immune cells(human monocyte and macrophage).This work reveals a fruitful analogy between the locomotion of 2 remote systems and provides a framework for studying immune cells exploring complex environments.

关键词： analogy closer prompt

Metal-metal bonds in Zintl clusters:Synthesis,structure and bonding in[Fe_(2)Sn_(4)Bi_(8)]^(3-)and[Cr_(2)Sb_(12)]^(3-)

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Chinese Chemical Letters 2024年第8期35卷 558-566页

作者： Ya-Nan Yang Zi-Sheng Li Sourav Mondal Lei Qiao Cui-Cui wang Wen-Juan Tian Zhong-ming Sun John e.McGrady State Key Laboratory of element-Organic Chemistry Tianjin Key Lab for Rare Earth Materials and ApplicationsSchool of Materials Science and EngineeringNankai UniversityTianjin 300350China Department of Chemistry University of OxfordInorganic Chemistry LaboratoryOxfordOX13QRUnited Kingdom

We report here the synthesis and characterization of two new members of the M2 e 12 family of endohe-dral Zintl clusters,[Fe_(2)Sn_(4)Bi_(8)]^(3-)and[Cr_(2)Sb_(12)]^(3-),both of which contain open-shell metal dimers encap-sulated inside a triple-decker cluster of main-group *** 75-electron[Fe_(2)Sn_(4)Bi_(8)]^(3-)cluster has a D4h-symmetric structure,while[Cr_(2)Sb_(12)]^(3-),despite having the same 75-electron count,is strongly dis-torted to a geometry that resembles a CrSb_(8)crown capped by a CrSb_(4)*** structural differences between the two are driven by the increasing availability of 3d electron density in the earlier transi-tion metal,which leads,ultimately,to different electronic configurations in the two *** trends precisely mirror those observed in the Me_(10)and Me_(12)families containing a single transition metal ion.

关键词： Zintl anions endohedral clusters Metal-metal bond Second-order Jahn-Teller effect DFT calculation