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Depositional and Bio-Sequence Stratigraphic Framework of Late Cretaceous Kawagarh Formation,Kala-Chitta Range,Pakistan:Equivalent of Gurpi Formation(Iran)

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Journal of Earth Science 2024年第2期35卷 332-348页

作者： Muhammad Awais Bilal Wadood Muhammad Ishaq Muhammad Bilal Zeeshan Zafar Nasar Khan Aminullah Khan Department of Geology University of SwabiAnbar-SwabiKhyber PakhtunkhwaSwabi23561Pakistan Department of Earth Environmental and Resources SciencesUniversity of Naples FedericoⅡNaples80126Italy State Key Laboratory of Continental Dynamics Department of GeologyNorthwest UniversityXi’an710069China National Centre of Excellence in Geology University of PeshawarPeshawarKhyber Pakhtunkhwa25130Pakistan Department of Geological Engineering School of Earth Sciences and EngineeringXi’an Shiyou UniversityXi’an610500China Department of Petroleum Geology and Engineering School of Earth ResourcesChina University of GeosciencesWuhan430074China Department of Geology University of MalakandDir Lower18800ChakdaraPakistan Department of Earth and Environmental Sciences KU LeuvenLeuven3001Belgium

The present study is focused on evaluation of deep marine pelagic sediments of Late Cretaceous Kawagarh Formation of Kala-Chitta Range in the context of microfacies analysis,paleoenvironmental interpretation,planktonic foraminiferal biostratigraphy,sequence stratigraphy and diversification of species.A total of thirty three rock samples were collected from the measured *** microfacies are interpreted,namely planktonic foraminifera wackestone,planktonic foraminifera mudstone and sandy mudstone indicating low energy depositional environment i.e.,outer *** biostratigraphic studies show plentiful planktonic foraminifera species of Globotruncana,Heterohelix and ***,no association of benthic or siliceous organisms was *** the basis of available species assemblage,a single local planktonic foraminifera biozone i.e.,Globotruncana-Heterohelix-Globotruncanita Assemblage Biozone is *** biozone information is combined with published literature and Lower Santonian to Middle Maastrichtian age has been assigned to the Kawagarh *** trend of species occurrences evinces that species number decreases over time with pulsated rise in the Kawagarh *** Kawagarh Formation carbonates show an overall Transgressive Systems Tract(TST).The Kawagarh Formation of Pakistan evinces analogous characteristics to that of the Late Cretaceous Gurpi Formation of Iran based on the geologic age,outcrop lithology,microfacies,planktonic foraminiferal assemblages,depositional setting and sequence stratigraphy.

关键词： depositional fabric biostratigraphy sequence stratigraphy Late Cretaceous Kawagarh Formation Pakistan Gurpi Formation Iran

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Taming heat with tiny pressure

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The Innovation 2024年第2期5卷 70-78页

作者： kun Zhang Zhe Zhang Hailong Pan Haoyu Wang Xueting Zhao Ji Qi Zhao Zhang Ruiqi Song Chenyang Yu Biaohong Huang Xujing Li Huaican Chen Wen Yin Changlong Tan Weijin Hu Michael Wüubbenhorst Jiangshui Luo Dehong Yu Zhidong Zhang Bing Li Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaShenyang 110016China Laboratory for Soft Matter and Biophysics Department of Physics and AstronomyKU Leuven3001 LeuvenBelgium Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China Spallation Neutron Source Science Center Dongguan 523803China College of Materials Science and Engineering Sichuan UniversityChengdu 610064China School of Materials Science and Chemical Engineering Harbin University of Science and TechnologyHarbin 150080China Australian Nuclear Science and Technology Organisation Lucas HeightsNSW 2234Australia

Heat is almost *** electricity,which can be easily manipulated,the current ability to control heat is still highly limited owing to spontaneous thermal dissipation imposed by the second law of *** illumination and pressure have been used to switch endothermic/exothermic responses of materials via phase transitions;however,these strategies are less cost-effective and ***,we spectroscopically demonstrate the glassy crystal state of 2-amino-2-methyl-1,3-propanediol(AMP)to realize an affordable,easily manageable approach for thermal energy *** supercooled state of AMP is so sensitive to pressure that even several megapascals can induce crystallization to the ordered crystal,resulting in a substantial temperature increase of 48 K within 20 ***,we demonstrate a proof-of-concept device capable of programable heating with an extremely high work-to-heat conversion effi-ciency of*** delicate and efficient tuning of heat may remarkably facilitate rational utilization of waste heat.

关键词： illumination thermal rational

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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

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Medicinal chemistry strategies towards the development of non-covalent SARS-CoV-2 Mpro inhibitors

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Acta Pharmaceutica Sinica B 2024年第1期14卷 87-109页

作者： Letian Song Shenghua Gao Bing Ye Mianling Yang Yusen Cheng Dongwei Kang Fan Yi Jin-Peng Sun Luis Menéndez-Arias Johan Neyts Xinyong Liu Peng Zhan Department of Medicinal Chemistry Key Laboratory of Chemical Biology(Ministry of Education)School of Pharmaceutical SciencesCheeloo College of MedicineShandong UniversityJinan 250012China Shenzhen Research Institute of Shandong University Shenzhen 518057China The Key Laboratory of Infection and Immunity of Shandong Province Department of PharmacologySchool of Basic Medical SciencesShandong UniversityJinan 250012China Key Laboratory Experimental Teratology of the Ministry of Education Department of Biochemistry and Molecular BiologySchool of Basic Medical SciencesCheeloo College of MedicineShandong UniversityJinan 250012China Centro de Biologı´a Molecular“Severo Ochoa”(Consejo Superior de Investigaciones Cientı´ficas&Autonomous University of Madrid) Madrid 28049Spain ku leuven Department of Microbiology and ImmunologyRega Institute for Medical ResearchLaboratory of Virology and ChemotherapyLeuven 3000Belgium

The main protease(M^(pro))of SARS-CoV-2 is an attractive target in anti-COVID-19 therapy for its high conservation and major role in the virus life *** covalent M^(pro)inhibitor nirmatrelvir(in combination with ritonavir,a pharmacokinetic enhancer)and the non-covalent inhibitor ensitrelvir have shown efficacy in clinical trials and have been approved for therapeutic *** antiviral drugs are needed to fight the pandemic,while non-covalent M^(pro)inhibitors could be promising alternatives due to their high selectivity and favorable *** non-covalent M^(pro)inhibitors with desirable properties have been developed based on available crystal structures of M^(pro).In this article,we describe medicinal chemistry strategies applied for the discovery and optimization of non-covalent M^(pro)inhibitors,followed by a general overview and critical analysis of the available *** viewpoints and insights into current strategies for the development of non-covalent M^(pro)inhibitors are also discussed.

关键词： COVID-19 SARS-CoV-2 Main protease Non-covalent inhibitors Medicinal chemistry strategies

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Surgery for Crohn's disease in the era of biologicals:A reduced need or delayed verdict?

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World Journal of Gastroenterology 2012年第29期18卷 3828-3832页

作者： Anthony de Buck van Overstraeten Albert Wolthuis André D'Hoore Department of Abdominal Surgery University Hospital Gasthuisberg Leuven3000 LeuvenBelgium

Crohn's disease(CD) is a chronic inflammatory bowel disease that can affect the entire gastrointestinal ***,up to 70% of all patients will need surgery,despite optimized medical ***,about half of the patients will need redo-surgery because of disease *** introduction of anti-tumor necrosis factor(TNF) drugs(Infliximab in 1998) revolutionized the treatment of *** randomized trials assessed the efficacy of anti-TNF treatment not only to induce,but also to maintain,steroid-free ***,these agents can rapidly lead to mucosal *** aspect is important,as it is a major predictor for long-term disease *** analyses of responding patients seemed to suggest a reduction in the need for surgery at median-term follow up(1-3 years).However if one looks at population surveys,one does not observe any decline in the need for surgery since the introduction of Infliximab in *** short follow-up term and the exclusion of patients with imminent surgical need in the randomized trials could bias the *** 60% of patients respond to induction of anti-TNF therapy,moreover,some patients will actually develop resistance to *** patients are diagnosed when stenosing disease has already occurred,obviating the need for biological *** a further attempt to change the actual course of the disease,top down strategies have been progressively *** this will indeed obviate surgery for a substantial group of patients remains *** the time being,surgery will still play a pivotal role in the treatment of CD.

关键词： Crohn's disease Surgery Biological agents Anti-tumor necrosis factor drugs Remission

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The influence of curing conditions on the mechanical properties and leaching of inorganic polymers made of fayalitic slag

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Frontiers of Chemical Science and Engineering 2017年第3期11卷 317-327页

作者： Remus I. Iacobescu Valerie Cappuyns Tinne Geens Lubica Kriskova Silviana Onisei Peter T. Jones Yiannis Pontikes ku leuven Department of Materials Engineering 3001 Leuven Belgium ku leuven Department of Earth and Environmental Sciences 3001 Leuven Belgium ku leuven Faculty of Economics and Business 1000 Brussels Belgium ku leuven Department of Healthcare and Technology 3001 Leuven Belgium

This study reports on the impact of the curing conditions on the mechanical properties and leaching of inorganic polymer （IP） mortars made from a water quenched fayalitic slag. Three similar IP mortars were produced by mixing together slag, aggregate and activating solution, and cured in three different environments for 28 d： a） at 20℃ and relative humidity （RH） - 50% （T20RH50）, b） at 20℃and RH≥90% （T20RH90） and c） at 60℃ and RH - 20% （T60RH20）. Compressive strength （EN 196-1） varied between 19 MPa （T20RH50） and 31 MPa （T20RH90）. This was found to be attributed to the cracks formed upon curing. Geochemical modelling and two leaching tests were performed, the EA NEN 7375 tank test, and the BS EN 12457-1 single batch test. Results show that Cu, Ni, Pb, Zn andAs leaching occurred even at high pH, which varied between 10 and 11 in the tank test＇s leachates and between 12 and 12.5 in the single batch＇s leachates. Leaching values obtained were below the requirements for non-shaped materials of Flemish legislation for As, Cu and Ni in the single batch test.

关键词： inorganic polymer geochemical leaching modelling heavy metals recycling non-ferrous fayalitic slag curing

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Role of genetics in prediction of disease course and response to therapy

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World Journal of Gastroenterology 2010年第21期16卷 2609-2615页

作者： Severine Vermeire Gert Van Assche Paul Rutgeerts Department of Gastroenterology University Hospital Gasthuisberg and Catholic University LeuvenB-3000 LeuvenBelgium

The clinical course of Crohn's disease and ulcerative colitis is highly variable between patients,and this has therapeutic implications.A number of clinical features have been identified,which predict a mild or more severe ***,several of these are subjective and/or not persistent over *** the progress in genetics research in inflammatory bowel disease(IBD),genetic markers are increasingly being proposed to improve stratification of *** have the major advantage of being stable over time and not prone to subjective ***,none of the genetic variants associated with particular outcomes have shown sufficient sensitivity or specificity to have been implemented in daily *** the same line of thinking,pharmacogenetics or the study of association between variability in drug response and genetic variation has also received more attention as part of the endeavor for personalized *** ultimate goal in this area of medicine is to adapt medication to a patient's specific genetic background and therefore improve on efficacy and safety *** pharmacogenetic studies have been performed for all classes of drugs applied in IBD,few have generated consistent findings or have been *** only genetic test approved for clinical practice is thiopurine S-methyltransferase testing prior to starting treatment with thiopurine *** other reported associations have suffered from lack of confirmation or still need replication ***,the importance and necessity of pharmacogenetic studies will increase further as more therapeutic classes are being developed.

关键词： Genetics Inflammatory bowel diseases Pharmacogenetics

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Analysing spatial data performance in inter-organisational processes

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International Journal of Digital Earth 2015年第5期8卷 403-420页

作者： Ezra Dessers Glenn Vancauwenberghe Danny Vandenbroucke Joep Crompvoets Geert Van Hootegem Centre for Sociological Research KU LeuvenLeuvenBelgium Spatial Applications Division leuven KU LeuvenLeuvenBelgium Public Governance Institute KU LeuvenLeuvenBelgium

The use of spatial data has become a key factor in numerous public sector ***,recent evidence suggests that the seemingly obvious benefits of spatial data use and sharing often stay beyond *** paper examines whether the performance of spatial data in inter-organisational processes depends on the structural characteristics of the process *** structure here refers to the way in which tasks are divided and coordinated between the organisations in a process chain,and to the allocation of the spatial data handling tasks in that *** data performance describes the level of access,use and sharing of spatial data in the *** paper presents the results of a comparative case study of interorganisational public sector processes in the fields of urban planning,flood management,population registration,environmental permit delivery and road safety *** findings suggest that spatial data performance in inter-organisational processes depends on the interplay between the structural characteristics of the *** processes with embedded activities that are related to spatial data are apparently linked to a high level of spatial data performance,while fragmented processes without centralised coordination,or processes in which the spatial datarelated activities are separated from the actual process,seem to relate to lower levels of spatial data performance.

关键词： spatial data performance public sector coordination task division

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Design,synthesis,and biological evaluation of benzo[4,5]thieno[2,3-d]pyrimidine derivatives as novel HIV-1 NNRTIs

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Chinese Chemical Letters 2024年第6期35卷 344-348页

作者： Bairu Meng Zongji Zhuo Han Yu Sining Tao Zixuan Chen 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 UniversityJi’nan 250012China Laboratory of Virology and Chemotherapy Rega Institute for Medical ResearchK.U.LeuvenLeuven B-3000Belgium China-Belgium Collaborative Research Center for Innovative Antiviral Drugs of Shandong Province Ji’nan 250012China

Inspired by our previous studies to discover novel human immunodeficiency virus-1(HIV-1)nonnucleoside reverse transcriptase inhibitors(NNRTIs)by targeting the tolerant region II of the NNRTIs binding pocket(NNIBP),a series of novel benzo[4,5]thieno[2,3-d]pyrimidine derivatives were designed through structure-based drug design as novel potent HIV-1 *** results showed that compound16b was the most active inhibitor,exhibiting 50% effective concentration(EC50)values from 0.021μmol/L to 0.298μmol/L against wild-type(WT)and a panel of NNRTIs-resistant HIV-1 ***,16b was demonstrated with a significantly low 50% cytotoxicity concentration(CC_(50))value(>200μmol/L)and high selectivity index(SI)*** addition,16b yielded moderate reverse transcriptase(RT)enzyme inhibition with a 50% inhibition concentration(IC_(50))value of 0.183μmol/L,which demonstrated that it acted as HIV-1 *** binding mode of 16b with RT was also illustrated via molecular ***,this work provided a novel lead compound for developing potent HIV-1 NNRTIs.

关键词： HIV-1 NNRTIs DAPYs Tolerant regionⅡ Drug design

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The outcomes and safety of patients undergoing endoscopic retrograde cholangiopancreatography combining a single-use cholangioscope and a single-use duodenoscope:A multicenter retrospective international study

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Hepatobiliary & Pancreatic Diseases International 2024年第1期23卷 71-76页

作者： Alessandro Fugazza Matteo Colombo Michel Kahaleh V.Raman Muthusamy Bick Benjamin Wim Laleman Carmelo Barbera Carlo Fabbri Jose Nieto Abed Al-Lehibi Mohan Ramchandani Amy Tyberg Haroon Shahid Avik Sarkar Dean Ehrlich Stuart Shermand Cecilia Binda Marco Spadaccini Andrea Iannone Kareem Khalaf Nageshwar Reddy Andrea Anderloni Alessandro Repici Division of Gastroenterology and Digestive Endoscopy Humanitas Research Hospital-IRCCSVia Manzoni 5620089RozzanoMilanoItaly Gastroenterology Rutgers Robert Wood JohnsonNew BrunswickNew JerseyUSA Vatche and Tamar Manoukian Division of Digestive Diseases University of CaliforniaLos Angeles School of Medicine at UCLALos AngelesCaliforniaUSA Division of Digestive and Liver Disorders Indiana University School of MedicineIndianapolisINUSA Department of Gastroenterology and Hepatology University Hospitals LeuvenKU Leuven3000 LeuvenBelgium U.O.C.di Gastroenterologia ed Endoscopia Digestiva Ospedale Giuseppe MazziniASL TeramoItaly Gastroenterology and Digestive Endoscopy Unit Forlì-Cesena HospitalsAUSL RomagnaForlì-CesenaItaly Borland Groover Clinic JacksonvilleFloridaUSA Department of Gastroenterology and Hepatology King Fahad Medical CityRiyadhSaudi Arabia Asian Institute of Gastroenterology HyderabadIndia Section of Gastroenterology Department of Emergency and Organ TransplantationUniversity of BariBari 70124Italy Department of Biomedical Sciences Humanitas UniversityVia Rita Levi Montalcini 420090Pieve EmanueleMilanItaly

Background: Duodenoscope-related multidrug-resistant organism(MDRO) infections raise concerns. Disposable duodenoscopes have been recently introduced in the market and approved by regulatory agencies with the aim to reduce the risk of endoscopic retrograde cholangiopancreatography(ERCP) associated infections. The aim of this study was to evaluate the outcome of procedures performed with single-use duodenoscopes in patients with clinical indications to single-operator cholangiopancreatoscopy. Methods: This is a multicenter international, retrospective study combining all patients who underwent complex biliopancreatic interventions using the combination of a single-use duodenoscope and a single-use cholangioscope. The primary outcome was technical success defined as ERCP completion for the intended clinical indication. Secondary outcomes were procedural duration, rate of cross-over to reusable duodenoscope, operator-reported satisfaction score(1 to 10) on performance rating of the single-use duodenoscope, and adverse event(AE) rate. Results: A total of 66 patients(26, 39.4% female) were included in the study. ERCP was categorized according to ASGE ERCP grading system as 47(71.2%) grade 3 and 19(28.8%) grade 4. The technical success rate was 98.5%(65/66). Procedural duration was 64(interquartile range 15-189) min, cross-over rate to reusable duodenoscope was 1/66(1.5%). The satisfaction score of the single-use duodenoscope classified by the operators was 8.6 ± 1.3 points. Four patients(6.1%) experienced AEs not directly related to the single-use duodenoscope, namely 2 post-ERCP pancreatitis(PEP), 1 cholangitis and 1 ***: Single-use duodenoscope is effective, reliable and safe even in technically challenging procedures with a non-inferiority to reusable duodenoscope, making these devices a viable alternative to standard reusable equipment.

关键词： Single-operator cholangioscopy Single-use duodenoscope Endoscopic retrograde cholangiopancreatography Indeterminate biliary stricture Difficult biliary stones

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