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design and optimization of piperidinesubstituted thiophene[3,2-d]pyrimidine-based HIV-1 NNRtIs with improved drug resistance and pharmacokinetic profiles

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Acta Pharmaceutica Sinica B 2024年第7期14卷 3110-3124页

作者： Yanying Sun Zhenzhen Zhou Zhongling Shi Fabao Zhao Minghui Xie Zongji Zhuo Erik de Clercq Christophe Pannecouqueb Dongwei Kang Peng Zhan Xinyong liu department of Medicinal Chemistry Key Laboratory of Chemical Biology(Ministry of Education)School of Pharmaceutical SciencesShandong 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

HIV-1 reverse transcriptase(Rt)has received great attention as an attractive therapeutic target for acquired immune deficiency syndrome(AIDS),but the inevitable drug resistance and side effects have always been major challenges faced by non-nucleoside reverse transcriptase inhibitors(NNRtIs).this work aimed to identify novel chemotypes of anti-HIV-1 agents with improved drugresistance profiles,reduced toxicity,and excellent druggability.A series of diarylpyrimidine(DAPY)derivatives were prepared via structural modifications of the leads K-5a2 and *** them,15a with dimethylphosphine oxide moiety showed the most prominent antiviral potency against all of the tested viral panel,being 1.6-fold(wt,EC_(50) Z 1.75 nmol/l),3.0-fold(l100I,EC_(50) Z 2.84 nmol/l),2.4-fold(K103N,EC_(50) Z 1.27 nmol/l),3.3-fold(Y181C,EC50 Z 5.38 nmol/l),2.9-fold(Y188l,EC_(50) Z 7.96 nmol/l),2.5-fold(E138K,EC_(50) Z 4.28 nmol/l),4.8-fold(F227l/V106A,EC_(50) Z 3.76 nmol/l)and 5.3-fold(RES056,EC_(50) Z 15.8 nmol/l)more effective than that of the marketed drug *** docking results illustrated the detailed interactions formed by compound 15a and wt,F227l/V106A,and RES056 ***,15a-HCl carried outstanding pharmacokinetic(t1/2 Z 1.32 h,F Z 40.8%)and safety profiles(lD_(50)>2000 mg/kg),which demonstrated that 15a HCl is a potential anti-HIV-1 drug candidate.

关键词： HIV-1 NNRtIs NNIBP Structural alert Anti-HIV-1 drug candidate

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In vitro engineered models of neurodegenerative diseases

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BIOCEll 2024年第1期48卷 79-96页

作者： ZEHRA GÜl MORÇIMEN ŞEYMA tAŞdeMIR AYlIN ŞENdeMIR Bioengineering department Graduate School of Natural and Applied SciencesEge UniversityIzmir35040Türkiye Bioengineering department Faculty of Engineering and Natural ScienceCelal Bayar UniversityManisa45110Türkiye Bioengineering department Ege UniversityIzmir35040Türkiye department of Biomedical technologies Graduate School of Natural and Applied SciencesEge UniversityIzmir35040Türkiye

Neurodegeneration is a catastrophic process that develops progressive damage leading to functional andstructural loss of the cells of the nervous system and is among the biggest unavoidable problems of our *** do not reflect the pathophysiology observed in humans due to distinct differences between the neuralpathways,gene expression patterns,neuronal plasticity,and other disease-related mechanisms in animals *** in vitro cell culture models are also not sufficient for pre-clinical drug testing in reflecting thecomplex pathophysiology of neurodegenerative ***,modern,engineered techniques are applied to developmulticellular,intricate in vitro models and to create the closest microenvironment simulating biological,biochemical,and mechanical characteristics of the in vivo degenerating *** tHIS review,the capabilities and shortcomings ofscaffold-based and scaffold-free techniques,organoids,and microfluidic models that best reflect neurodegeneration invitro in the biomimetic framework are discussed.

关键词： Neurodegenerative diseases In vitro models Scaffolds Organoids Microfluidic devices

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A new oxidative pathway of nitric oxide production from oximes in plants

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Molecular Plant 2024年第1期17卷 178-198页

作者： Pedro lopez-Gomez Javier Buezo Marina Urra Alfonso Cornejo Raquel Esteban Jorge Fernandez de los Reyes Estibaliz Urarte Estefania Rodriguez-Dobreva Alejandro Chamizo-Ampudia Alejandro Eguaras Sebastian wolf Daniel Marino Victor Martinez-Merino Jose F.Moran Institute for Multidisciplinary Research in Applied Biology(IMAB) Department of SciencesPublic University of Navarre(UPNA)Avda.de Pamplona 12331192 MutilvaSpain Institute for Advanced Materials and Mathematics(INAMAt2) Department of SciencesPublic University of Navarre(UPNA)Campus de Arosadia31006 PamplonaSpain department of Plant Biology and Ecology University of the Basque Country(UPV/EHU)Sarriena s/nApdo.64448080 BilbaoSpain Center for Plant Molecular Biology(ZMBP) University of TubingenGeschwister-Scholl-Platz72074 TubingenGermany Institute of Natural Resources and Agrobiology of Salamanca(IRNASA) Department of Plant-Microorganism InteractionsSpanish National Research Council(CSIC)Cordel de Merinas40-5237008SalamancaSpain department of Biochemistry Area of Molecular BiologyVeterinary FacultyUniversity of LeonCampus de Vegazanas/n.24071 LeonSpain

Nitric oxide(NO)is an essential reactive oxygen species and a signal molecule in *** several studies have proposed the occurrence of oxidative NO production,only reductive routes for NO production,such as the nitrate(NO_(3)^(-))-upper-reductase pathway,have been evidenced to date in land ***,plants grown axenically with ammonium as the sole source of nitrogen exhibit contents of nitrite and NO3−,evidencing the existence of a metabolic pathway for oxidative production of *** hypothesized that oximes,such as indole-3-acetaldoxime(IAOx),a precursor to indole-3-acetic acid,are intermediate oxidation products in NO *** detected the production of NO from IAOx and other oximes catalyzed by peroxidase(POD)enzyme using both 4-amino-5-methylamino-2′,7′-difluorescein fluorescence and *** stimulated the reaction,while superoxide dismutase inhibited ***,mouse NO synthase can also use IAOx to produce NO at a lower rate than *** provided a full mechanism for POD-dependent NO production from IAOx consistent with the experimental data and supported by density functional theory *** showed that the addition of IAOx to extracts from Medicago truncatula increased the in vitro production of NO,while in vivo supplementation of IAOx and other oximes increased the number of lateral roots,as shown for NO donors,and a more than 10-fold increase in IAOx dehydratase ***,we found that in vivo supplementation of IAOx increased NO production in Arabidopsis thaliana wild-type plants,while prx33-34 mutant plants,defective in POD33-34,had reduced *** data show that the release of NO by IAOx,as well as its auxinic effect,explain the superroot ***,our study reveals that plants produce NO utilizing diverse molecules such as oximes,POD,and flavins,which are widely distributed in the plant kingdom,thus introducing a long-awaited oxidative pathway to NO production in plants.t

关键词： ammonium oxidation auxin nitric oxide oxime peroxidase root phenotype

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the HIF-1α/PlOD2 axis integrates extracellular matrix organization and cell metabolism leading to aberrant musculoskeletal repair

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Bone Research 2024年第2期12卷 289-301页

作者： Heeseog Kang Amy l.Strong Yuxiao Sun lei Guo Conan Juan Alec C.Bancroft Ji Hae Choi Chase A.Pagani Aysel A.Fernandes Michael woodard Juhoon lee Sowmya Ramesh Aaron w.James David Hudson Kevin N.Dalby lin Xu Robert J.tower Benjamin levi Center for Organogenesis Regeneration and TraumaDepartment of SurgeryUniversity of Texas SouthwesternDallasTX 75390USA Section of Plastic Surgery Department of SurgeryUniversity of MichiganAnn ArborMI 48109USA Quantitative Biomedical Research Center Peter O’Donnell Jr.School of Public HealthUniversity of Texas SouthwesternDallasTX 75390USA department of Orthopedics and Sports Medicine University of WashingtonSeattleWA 98195USA Division of Chemical Biology and Medicinal Chemistry College of PharmacyUniversity of Texas at AustinAustinTX 78712USA department of Pathology Johns Hopkins UniversityBaltimoreMD 21218USA

while hypoxic signaling has been shown to play a role in many cellular processes,its role in metabolism-linked extracellular matrix(ECM)organization and downstream processes of cell fate after musculoskeletal injury remains to be ***(HO)is a debilitating condition where abnormal bone formation occurs within extra-skeletal *** andhypoxia-inducible factor 1α(HIF-1α)activation have been shown to promote ***,the underlying molecular mechanisms bywhich the HIF-1αpathway in mesenchymal progenitor cells(MPCs)contributes to pathologic bone formation remain to ***,we used a proven mouse injury-induced HO model to investigate the role of HIF-1αon aberrant cell ***-cell RNA sequencing(scRNA-seq)and spatial transcriptomics analyses of the HO site,we found that collagen ECM organizationis the most highly up-regulated biological process in *** mesenchymal cell-specific deletion of Hif1α(Hoxa11-CreER^(t2);Hif1a^(fl/fl))significantly mitigated HO in ***-seq analysis of these Hoxa11-CreER^(t2);Hif1a^(fl/fl)mice identified the PlOD2/lOXpathway for collagen cross-linking as downstream of the HIF-1αregulation of ***,our scRNA-seq data and mechanisticstudies further uncovered that glucose metabolism in MPCs is most highly impacted by HIF-1α*** a translational aspect,a pan-lOX inhibitor significantly decreased HO.A newly screened compound revealed that the inhibition of PlOD2 activity in MPCssignificantly decreased osteogenic differentiation and glycolytic *** suggests that the HIF-1α/PlOD2/lOX axis linked tometabolism regulates HO-forming MPC *** results suggest that the HIF-1α/PlOD2/lOX pathway represents a promisingstrategy to mitigate HO formation.

关键词： metabolism skeletal aberrant

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Modeling shoreline sand waves on the coasts of Namibia and Angola

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International Journal of Sediment Research 2013年第3期28卷 338-348页

作者： Francesca RIBAS Albert FAlQUES Niels van den berg Miquel CABAllERIA department of Applied Physics Universitat Politecnica de CatalunyaSpain

the southwestern（Sw） coast of Africa（Namibia and Angola） features long sandy beaches and a wave climate dominated by energetic swells from the Southsouthwest（SSw）,therefore approaching the coast with a very high *** images reveal that along that coast there are many shoreline sand waves with wavelengths ranging from 2 to 8 km.A more detailed study,including a Fourier analysis of the shoreline position,yields the wavelengths（among this range） with the highest spectral density ***,it becomes apparent that at least some of the sand waves are dynamically active rather than being controlled by the geological setting.A morphodynamic model is used to test the hypothesis that these sand waves could emerge as free morphodynamic instabilities of the coastline due to the obliquity in wave *** is found that the period of the incident water waves,t;,is crucial to establish the tendency to stability or instability,instability increasing for decreasing period,whilst there is some discrepancy in the observed *** results for t;= 7-8 s clearly show the tendency for the coast to develop free sand waves at about 4 km wavelength within a few years,which migrate to the north at rates of 0.2-0.6 km yr;.For larger t;or steeper profiles,the coast is stable but sand waves originated by other mechanisms can propagate downdrift with little decay.

关键词： Shoreline evolution Shoreline sand waves High angle wave instability longshore sediment transport

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由超拍电子伏特加速器产生的超高能伽马射线气泡

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Science Bulletin 2024年第4期69卷 449-457页

作者： lHAASO Collaboration Zhen Cao Chuandong Gao Cong li Ruo-Yu liu Ruizhi Yang 不详 Key laboratory of Particle Astrophyics&Experimental Physics Division&Computing Center Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China University of Chinese Academy of Sciences Beijing 100049China tIANFU Cosmic Ray Research Center ChengduChina Institute of Frontier and Interdisciplinary Science Shandong UniversityQingdao 266237China School of Astronomy and Space Science Nanjing UniversityNanjing 210023China University of Science and technology of China Hefei 230026China

we report the detection of aγ-ray bubble spanning at least 100deg2 in ultra-high energy(UHE)up to a few PeV in the direction of the star-forming region Cygnus X,implying the presence super PeVatron(s)accelerating protons to at least 10 PeV.A log-parabola form with the photon indexΓ(E)=(2.71±0.02)+(0.11±0.02)×log10(E/10 teV)is found fitting the gamma-ray energy spectrum of the bubble *** sources,“hot spots”correlated with very massive molecular clouds,and a quasi-spherical amorphousγ-ray emitter with a sharp central brightening are observed in the *** the core of~0.5°,spatially associating with a region containing massive OB association(Cygnus OB2)and a microquasar(Cygnus X-3),as well as previously reported multi-teV sources,an enhanced concentration of UHEγ-rays is observed with 2 photons at energies above 1 *** general feature of the bubble,the morphology,and the energy spectrum,are reasonably reproduced by the assumption of a particle accelerator in the core,continuously injecting protons into the ambient medium.

关键词： Cosmic rays γ-rays Interstellar medium Star cluster

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Spatiotemporal mapping of(ultra‐)mafic magmatic mine areas:Implications of economic and political realities in China

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deep Underground Science and Engineering 2024年第1期3卷 91-102页

作者： Heling li liang tang tim t.werner Zhengmeng Hou Fan Meng Jingjing li College of Earth Sciences Chengdu University of TechnologyChengduChina Institute of Subsurface Energy Systems Clausthal University of TechnologyClausthal ZellerfeldGermany School of Geography Earth and Atmospheric SciencesFaculty of ScienceThe University of MelbourneMelbourneVictoriaAustralia

the spatiotemporal extension/expansion of mine areas is affected by multiple *** far,very little has been done to examine the interaction between mine areas and political or economic ***(ultra‐)mafic magmatic mines in China played a specific role in supporting national development and providing an ideal research subject for monitoring their *** this study,remote sensing and mining‐related GIS data were used to identify and analyze 1233(ultra‐)mafic magmatic mine area polygons in China,which covered approximately 322.96 km2 of land and included a V–ti–Fe mine,a copper–nickel mine,a chromite mine,an asbestos mine,and a diamond *** was found that(1)the areal expansion of mines is significantly related to the mine types,perimeter,topography,and population density.(2)the mine area variation also reflects market and policy *** temporal expansion of the mine area from 2010 to 2020 followed an S‐shaped pattern(with the turning point occurring in 2014),closely related to iron overcapacity and tightened mining policies.(3)the complexity(D)of the mine area may reflect mine design and excavation *** be specific,lower D indicates early‐stage or artisanal/small‐scale mining,whereas higher D represents large‐scale *** study demonstrates that the detailed mapping of mine land can serve as an indicator to implement miningrelated market and policy ***(ultra‐)mafic mines area data set can be accessed at https://***/record/7636616#.Y-p0uXaZOa0.

关键词： complexity mine area mining and socioeconomic interaction spatiotemporal distribution (ultra‐)mafic magmatic mine

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Generation of brain vascular heterogeneity:recent advances from the perspective of angiogenesis

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Neural Regeneration Research 2025年第7期20卷 2013-2014页

作者： Nathanael J.lee Ryota l.Matsuoka department of Neurosciences Lerner Research InstituteCleveland ClinicClevelandOHUSA department of Molecular Medicine Cleveland Clinic Lerner College of MedicineCase Western Reserve UniversityClevelandOHUSA

Heterogeneous proper t i es of vascular endothelial cells in the brain:the brain displays large energy dynamics and consumption,and this high level of metabolic demands is fulfilled by a continuous supply of glucose and oxygen through its vascular *** vasculature consists of highly divergent blood vessel branches,giving rise to a dense network of capillaries that supply blood to all cells across the *** elaborated vascular network is thought to develop via angiogenesis,a process in which new blood vessels grow from pre-existing *** capillaries exhibit organotypic features distinct from other tissues and are formed primarily by two major endothelial cell(EC)types:those that form the semi-permeable blood-brain barrier(BBB)and those that develop highly permeable pores known as fenestrae(Matsuoka et al.,2022).the structural and functional differences between BBB and fenestrated vascular ECs represent a fundamental feature of brain vasculature and form the foundation for both brain function and homeostasis.

关键词： angiogenesis homeostasis network

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How completely are randomized controlled trials of non-pharmacological interventions following concussion reported? A systematic review

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Journal of Sport and Health Science 2024年第4期13卷 537-547页

作者： Jacqueline Josee van Ierssel Olivia Galea Kirsten Holte Caroline luszawski Elizabeth Jenkins Jennifer O’Neil Carolyn A Emery Rebekah Mannix Kathryn Schneider Keith Owen Yeates Roger Zemek Children’s Hospital of Eastern Ontario Research Institute OttawaON K1H 8L1Canada the Centre for Health Activity and Rehabilitation ResearchUniversity of OtagoDunedin 9016New Zealand Sport Injury Prevention Research Centre Faculty of KinesiologyUniversity of CalgaryCalgaryAB T2N 1N4Canada Alberta Children’s Hospital Research Institute University of Calgary CalgaryAB T2N 1N4Canada Hotchkiss Brain Institute University of CalgaryCalgaryAB T2N 4N1Canada department of Psychology University of CalgaryCalgaryAB T2N 1N4Canada g Faculty of MedicineUniversity of OttawaOttawaON K1H 8M5Canada School of Rehabilitation Sciences University of OttawaOttawaON K1H 8M5Canada Bruyere Research Institute OttawaON K1N 5C8Canada departments of Pediatrics and Emergency Medicine Harvard Medical SchoolBostonMA 02115USA departments of Pediatrics and Emergency Medicine University of OttawaOttawaON K1H 8M5Canada

Purpose:the study aimed to examine the reporting completeness of randomized controlled trials(RCts)of non-pharmacological interventions following ***:we searched MEDlINE,Embase,PsycInfo,CINAHl,and web of Science up to May *** reviewers independently screened studies and assessed reporting completeness using the template for Intervention description and Replication(tIDieR),Consensus on Exercise Reporting template(CERt),and international Consensus on therapeutic Exercise aNd training(i-CONtENt)*** information was sought my study authors where reporting was *** of bias(ROB)was assessed with the Cochrane ROB-2 *** examining non-pharmacological interventions following ***:we included 89 RCts(n=53 high ROB)examining 11 different interventions for concussion:sub-symptom threshold aerobic exercise,cervicovestibular therapy,physical/cognitive rest,vision therapy,education,psychotherapy,hyperbaric oxygen therapy,transcranial magnetic stimulation,blue light therapy,osteopathic manipulation,and head/neck *** scores were:tIDieR 9/12(75%;interquartile range(IQR)=5;range:5-12),CERt 17/19(89%;IQR=2;range:10-19),and i-CONtENt 6/7(86%;IQR=1;range:5-7).Percentage of studies completely reporting all items was tIDieR 35%(31/89),CERt 24%(5/21),and i-CONtENt 10%(2/21).Studies were more completely reported after publication of tIDieR(t_(87)=2.08;p=0.04)and CERt(t_(19)=2.72;p=0.01).Reporting completeness was not strongly associated with journal impact factor(tIDieR:rs=0.27;p=0.01;CERt:r_(s)=-0.44;p=0.06;i-CONtENt:r_(s)=-0.17;p=0.48)or ROB(tIDieR:rs=0.11;p=0.31;CERt:rs=0.04;p=0.86;i-CONtENt:rs=0.12;p=0.60).Conclusion:RCts of non-pharmacological interventions following concussion demonstrate moderate to good reporting completeness,but are often missing key components,particularly modifications,motivational strategies,and qualified *** completeness improved after tIDieR and CERt publication,but p

关键词： Concussion Intervention Randomized controlled trial Systematic review

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Randomized trial of Ciclosporin with 2-h Monitoring *** with trough Monitoring in liver transplantation:deltA Study

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Journal of Clinical and translational Hepatology 2023年第4期11卷 839-849页

作者： Bastian N.Ruijter Akin Inderson Aad Pvan den berg Herold J.Metselaar Jeroen Dubbeld Maarten E.tushuizen Robert J.Porte wojciech Polak Danny van der Helm Marjolein van Reeven Mar Rodriguez-Girondo Bart van Hoek department of Gastroenterology and Hepatology LUMC Transplantation CenterLeiden University Medical CenterLeidenThe Netherlands department of Gastroenterology and Hepatology University Medical Center GroningenGroningenThe Netherlands department of Gastroenterology and Hepatology Erasmus MC Transplant InstituteErasmus Medical CenterRotterdamThe Netherlands department of Surgery LUMC Transplantation CenterLeiden University Medical CenterLeidenThe Netherlands department of Surgery Section HPB Surgery and Liver TransplantationUniversity of GroningenUniversity Medical Center GroningenGroningenThe Netherlands department of Surgery Division of HPB and Transplant SurgeryErasmus MC Transplant InstituteErasmus Medical CenterRotterdamThe Netherlands department of Biomedical Data Sciences Leiden University Medical CenterLeidenThe Netherlands.

Background and Aims:Previous trials comparing cyclosporine and tacrolimus after liver transplantation(lt)showed conflicting *** used trough monitoring for cyclosporine(C0),leading to less accurate dosing than with 2-h monitoring(C2).Only one larger trial compared C2 with tacrolimus based on trough level(t0)after lt,with similar treated biopsy-proven acute rejection(tBPAR)and graft loss,while a smaller trial had less tBPAR with C2 compared to ***,it is still unclear which calcineurin inhibitor is preferred after *** aimed to demonstrate superior efficacy(tBPAR),tolerability,and safety of C2 or t0 after first ***:Patients after first lt were randomized to C2 or ***,patient-and graft survival,safety and tolerability were the main endpoints,with analysis by Fisher test,Kaplan-Meier survival analysis and log-rank ***:In intention-totreat analysis 84 patients on C2 and 85 on t0 were *** incidence of tBPAR C2 vs.t0 was 17.7%vs.8.4%at 3 months(p=0.104),and 21.9%vs.9.7%at 6 and 12 months(p=0.049).One-year cumulative mortality C2 vs.t0 was 15.5%vs.5.9%(p=0.049)and graft loss 23.8%vs.9.4%(p=0.015).Serum triglyceride and lDl-cholesterol was lower with t0 than with *** of diarrhea in t0 vs,C2 was 64%vs.31%(p≤0.001),with no other differences in safety and ***:In the first year after lt immunosuppression with t0 leads to less tBPAR and better patient-/re-transplant-free survival as compared to C2.

关键词： Adverse effects Ciclosporin liver transplantation Outcome Randomized controlled trial Rejection Survival Renal function tacrolimus

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