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American Journal of Analytical Chemistry 2024年第1期15卷 43-55页

作者： Etienne Jooken Ruis Amery Boudewijn Meesschaert Laboratory of Microbial and Bio-Chemical Technology (Lab μBCT) Department of Microbial and Molecular Systems KU Leuven-Bruges Campus Brugge Belgium

A method of analysis for the simultaneous determination of methylisothiazolinone (MI), methylchloroisothiazolinone (CMI), benzisothiazolinone (BIT) and Bronopol (BNP) in washing-up liquid was established. The method consisted of a gradient HPLC analysis at three different wavelengths. The four compounds could be analyzed with good precision and accuracy.

关键词： Preservatives Analytical Validation Methylisothiazolinone Methylchloroisothiazolinone Benzisothiazolinone Bronopol HPLC Washing-Up Liquid

Removal and fluorescence detection of antibiotics from wastewater by layered double oxides/metal-organic frameworks with different topological configurations

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Chinese Chemical Letters 2024年第8期35卷 401-405页

作者： Zhiqiang Liu Qiang Gao Wei Shen Meifeng Xu Yunxin Li Weilin Hou Hai-Wei Shi Yaozuo Yuan Erwin Adams Hian Kee Lee Sheng Tang School of Environmental and Chemical Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China National Medical Products Administration Key Laboratory for Impurity Profile of Chemical Drugs Nanjing 210019China Chemical Drug Inspection Laboratory 2 Jiangsu Institute for Food and Drug ControlNanjing 210019China Department of Pharmaceutical and Pharmacological Sciences Pharmaceutical AnalysisKU LeuvenHerestraat 49O&N2PB 923Leuven B-3000Belgium Department of Chemistry National University of Singapore3 Science Drive 3Singapore 117543Singapore

Owing to the serious potential side-effects on the environment and human health,the rapid detection and removal of antibiotics have become an important research *** this work,four zinc-based metal-organic frameworks(MOFs)with different functional groups,i.e.,Zn-MOF,Zn-MOF-CH_(3),Zn-MOF-NO_(2),Zn-MOF-COOH,were utilized for the construction of LDO/MOF composite materials with a nickel-iron-cobalt-based layered double oxide,*** results showed that the LDO/MOF composites not only had high sensitivity in detecting sulfonamide and quinolone antibiotics,but also had an appreciable ability to adsorb them from *** maximum adsorption capacities of all the four types of LDO@Zn-MOFs to all antibiotics can at least reach 150 mg/g,and the limits of detection in relation to all four antibiotics were at least as low as 100μg/*** work suggested the dual-function extraction performance can be attributed to the synergistic effects between the LDO and the ***,the strong ferromagnetism derived from the LDO provided great convenience for the separation and regeneration of the LDO/MOF composites.

关键词： Light-emitting metal-organic frameworks Layered double oxides Antibiotics Topological configurations Fluorescence detection

A comprehensive comparison of different regression techniques and nature-inspired optimization algorithms to predict carbonation depth of recycled aggregate concrete

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Frontiers of Structural and Civil Engineering 2024年第1期18卷 30-50页

作者： Bin XI Ning ZHANG Enming LI Jiabin LI Jian ZHOU Pablo SEGARRA Department of Civil and Environmental Engineering Politecnico Di MilanoMilano 20133Italy Leibniz Institute of Ecological Urban and Regional Development(IOER) Dresden 01217Germany Universidad Politécnica de Madrid-ETSI Minas y Energía Madrid 28003Spain Department of Civil Engineering KU Leuven CampusBrugge 8200Belgium School of Resources and Safety Engineering Central South UniversityChangsha 410083China

The utilization of recycled aggregates(RA)for concrete production has the potential to offer substantial environmental and economic ***,RA concrete is plagued with considerable durability concerns,particularly *** advance the application of RA concrete,the establishment of a reliable model for predicting the carbonation is *** the one hand,concrete carbonation is a long and slow process and thus consumes a lot of time and energy to *** the other hand,carbonation is influenced by many factors and is hard to *** this,this paper proposes the use of machine learning techniques to establish accurate prediction models for the carbonation depth(CD)of RA *** types of regression techniques and meta-heuristic algorithms were employed to provide more alternative predictive *** was found that the best prediction performance was obtained from extreme gradient boosting-multi-universe optimizer(XGB-MVO)with R^(2) value of 0.9949 and 0.9398 for training and testing sets,***-MVO was used for evaluating physical laws of carbonation and it was found that the developed XGB-MVO model could provide reasonable predictions when new data were *** also showed better generalization capabilities when compared with different models in the ***,this paper emphasizes the need for sustainable solutions in the construction industry to reduce its environmental impact and contribute to sustainable and low-carbon economies.

关键词： recycled aggregate concrete carbonation depth nature-inspired optimization algorithms extreme gradient boosting technique parametric analysis

Enabling low-cost decentralized power reserves adopting carbon dioxide for green methane exchange in stabilized clathrate adsorbent

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Journal of Energy Chemistry 2024年第10期97卷 438-443,I0009页

作者： Lucas Hanssens Maarten Houlleberghs C.Vinod Chandran Geert Watson Sambhu Radhakrishnan Pascal Van Der Voort Joeri F.M.Denayer Christine E.A.Kirschhock Johan A.Martens Eric Breynaert Centre for Surface Chemistry and Catalysis-Characterization and Application Team(COK-KAT) 3001 LeuvenBelgium NMR/X-Ray Platform for Convergence Research(NMRCoRe) 3001 LeuvenBelgium Centre for Ordered Materials Organometallics and Catalysis(COMOC)Department of ChemistryGhent University9000 GhentBelgium Department of Chemical Engineering Vrije Universiteit Brussel1050 BrusselBelgium

*** circular methane energy systems In recent decades,methane-based energy systems have rapidly gained traction across the globe because of the increasing availability of low-cost methane production ***,fossil methane... 详细信息

关键词： Long duration energy storage Green methane Carbon neutrality Confined clathrate hydrates CH_(4)/CO_(2) exchange Direct gas exchange

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不同钢渣细度矿粉地聚合物流变性及预测模型

建筑材料学报 2024年

作者：俞莉张树祥朱涛杨秋宁张东生宁夏大学土木与水利工程学院 Department of Civil Engineering， ku leuven， Campus Bruges

为探究钢渣在不同细度下对钢渣-矿粉基地聚合物（SSG）流变性能影响，通过流动度、流变仪、水膜层厚度（water film thickness，WFT）试验研究不同细度钢渣流变性的变化规律，并基于流动度和WFT与流变参数的相关性，利用BP神经网络建立... 详细信息

为探究钢渣在不同细度下对钢渣-矿粉基地聚合物（SSG）流变性能影响，通过流动度、流变仪、水膜层厚度（water film thickness，WFT）试验研究不同细度钢渣流变性的变化规律，并基于流动度和WFT与流变参数的相关性，利用BP神经网络建立流变参数预测模型.结果表明，随着钢渣细度的提高，新拌地聚合物砂浆的流动性得到改善，并缩短其凝结时间和降低其WFT.钢渣细度的变化并未改变流体类型，流变特征符合Bingham模型，表观黏度随着剪切速率增大逐渐降低，屈服应力、塑性黏度、触变性随着钢渣细度增加持续降低，流变参数随着静置时间增加不断增大且增长率也呈逐渐增大趋势.同时，流动度与屈服应力成正相关，WFT与屈服应力、流动度存在着较好线性关系.建立的BP神经网络流变参数预测模型，预测结果吻合度良好、精度高.

关键词：钢渣微粉地聚合物砂浆流变性 BP神经网络经时流变

Tree species identity and interaction determine vertical forest structure in young planted forests measured by terrestrial laser scanning

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Forest Ecosystems 2024年第3期11卷 266-275页

作者： Mengxi Wang Lander Baeten Frieke Van Coillie Kim Calders Kris Verheyen Quentin Ponette Haben Blondeel Bart Muys John Armston Hans Verbeeck Q-ForestLab Department of EnvironmentFaculty of Bioscience EngineeringGhent UniversityBelgium Forest&Nature Lab Department of EnvironmentFaculty of Bioscience EngineeringGhent UniversityBelgium Earth and Life Institute Université Catholique de Louvain(UCLouvain)Louvain-la-NeuveBelgium Department of Earth&Environmental Sciences KU LeuvenBelgium Department of Geographical Sciences University of MarylandCollege ParkMDUSA

Vertical forest structure is closely linked to multiple ecosystem characteristics,such as biodiversity,habitat,and *** tree species in planted forests has the potential to create diverse vertical forest structures due to the different physiological and morphological traits of the composing tree ***,the relative importance of species richness,species identity and species interactions for the variation in vertical forest structure remains unclear,mainly because traditional forest inventories do not observe vertical stand structure in *** laser scanning(TLS),however,allows to study vertical forest structure in an unprecedented ***,we used TLS single scan data from 126 plots across three experimental planted forests of a largescale tree diversity experiment in Belgium to study the drivers of vertical forest *** plots were 9–11years old young pure and mixed forests,characterized by four levels of tree species richness ranging from monocultures to four-species mixtures,across twenty composition *** generated vertical plant profiles from the TLS data and derived six stand structural *** mixed models were used to test the effect of species richness on structural *** a hierarchical diversity interaction modelling framework,we further assessed species identity effect and various species interaction effects on the six stand structural *** results showed that species richness did not significantly influence most of the stand structure variables,except for canopy height and foliage height *** identity on the other hand exhibited a significant impact on vertical forest structure across all *** interaction effects were observed to be site-dependent due to varying site conditions and species pools,and rapidly growing tree species tend to dominate these ***,our results highlighted the importance of considering both species identity an

关键词： TreeDivNet FORBIO Stand structural complexity Terrestrial laser scanning Vertical forest structure Tree diversity Planted forests

Interface-induced polymerization strategy for constructing titanium dioxide embedded carbon porous framework with enhanced chemical immobilization towards lithium polysulfides

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Nano Research 2024年第3期17卷 1473-1481页

作者： Yue Ouyang Xiaoxiao Li Jiexin Zhu Wei Zong Yuhang Dai Xuan Gao Wei Zhang Shengyuan Yang Roohollah Bagherzadeh Feili Lai Yue-E Miao Tianxi Liu State Key Laboratory for Modification of Chemical Fibers and Polymer Materials College of Materials Science and EngineeringDonghua University2999 North Renmin RoadShanghai 201620China The Key Laboratory of Synthetic and Biological Colloids Ministry of EducationSchool of Chemical and Material EngineeringJiangnan UniversityWuxi 214122China Advanced Fibrous Materials LAB Institute for Advanced Textile Materials and Technologies(ATMT)School of Advanced Materials and ProcessesAmirkabir University of TechnologyTehran 15914Iran Christopher Ingold Laboratory Department of ChemistryUniversity College London20 Gordon StreetLondon WC1H 0AJUK Department of Chemistry KU LeuvenCelestijnenlaan 200FLeuven 3001Belgium

The shuttle effect induced by soluble lithium polysulfides(LiPSs)is known as one of the crucial issues that limit the practical applications of lithium-sulfur(Li-S)***,a titanium dioxide nanoparticle embedded in nitrogen-doped porous carbon nanofiber(TiO_(2)@NCNF)composite is constructed via an interface-induced polymerization strategy to serve as an ideal sulfur *** the protection of the nanofiber walls,the uniformly dispersed TiO_(2) nanocrystalline can act as capturing centers to constantly immobilize LiPSs towards durable sulfur ***,the mesoporous microstructure in the fibrous framework endows the TiO_(2)@NCNF host with strong physical reservation for sulfur and LiPSs,sufficient pathways for electron/ion transfer,and excellent endurance for volume *** expected,the sulfur-loaded TiO_(2)@NCNF composite electrode presents a fabulous rate performance and long cycle lifespan(capacity fading rate of 0.062%per cycle over 500 cycles)at 2.0 ***,the assembled Li-S batteries harvest superb areal capacity and cycling stability even under high sulfur loading and lean electrolyte conditions.

关键词： interface-induced polymerization electrospun porous nanofibers lithium-sulfur(Li-S)batteries high sulfur loading lithium polysulfides(LiPSs)immobilization

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

In-situ formation of Ti-Mo biomaterials by selective laser melting of Ti/Mo and Ti/Mo_(2)C powder mixtures:A comparative study on microstructure,mechanical and wear performance,and thermal mechanisms

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Journal of Materials Science & Technology 2022年第20期115卷 81-96页

作者： Qimin Shi Shoufeng Yang Yi Sun Yifei Gu Ben Mercelis Shengping Zhong Bart Van Meerbeek Constantinus Politis ku leuven Department of Biomedical SciencesOMFS-IMPATH Research Group&UZ Leuven(University Hospitals Leuven)Oral and Maxillofacial SurgeryKapucijnenvoer 33Leuven 3000Belgium University of Southampton Faculty of Engineering and Physical SciencesSouthampton SO171BJUnited Kingdom ku leuven Department of Oral Health SciencesBIOMAT-Biomaterials Research Group&UZ Leuven(University Hospitals Leuven)DentistryKapucijnenvoer 7Leuven 3000Belgium

Ti-Mo alloys/composites are expected to be the next-generation implant material with low moduli but without toxic/allergic ***,synthesis mechanisms of the Ti-Mo biomaterials in Selective Laser Melting(SLM)vary according to raw materials and fundamentally influence material performance,due to inhomogeneous chemical compositions and ***,this work provides a comparative study on microstructure,mechanical and wear performance,and underlying thermal mechanisms of two promising Ti-Mo biomaterials prepared by SLM but through different synthesis mechanisms to offer scientific understanding for creation of ideal metal *** are(i)Ti-7.5 Mo alloys,prepared from a conventional Ti/Mo powder mixture,and(ii)Ti-7.5 Mo-2.4 Ti C composites,in-situ prepared from Ti/Mo_(2)C powder *** reveal that the in-situ Ti-7.5 Mo-2.4 Ti C composites made from Ti/Mo_(2)C powder mixture by SLM can produce 61.4%moreβphase and extra Ti C precipitates(diameter below 229.6 nm)than the Ti-7.5 Mo *** fine Ti C not only contributes to thinner and shorterβcolumnar grains under a large temperature gradient of 51.2 K/μm but also benefits material *** in-situ Ti-7.5 Mo-2.4 Ti C composites produce higher yield strength(980.1±29.8 MPa)and ultimate compressive strength(1561.4±39 MPa)than the Ti-7.5 Mo alloys,increasing by up to 12.1%.However,the fine Ti C with an aspect ratio of 2.71 dominates an unfavourable rise of elastic modulus to 91.9±2 GPa,44.7%higher than the Ti-7.5 Mo alloys,which,nevertheless,is still lower than the modulus of traditional Ti-6 Al-4 ***,Ti C and its homogeneous distribution benefit wear resistance,decreasing the wear rate of the in-situ Ti-7.5 Mo-2.4 Ti C composites to 6.98×10^(-4)mm^3 N^(-1)m^(-1),which is 36%lower than that of the Ti-7.5 Mo ***,although with higher modulus than the Ti-7.5 Mo alloys,the SLM-fabricated in-situ Ti-7.5 Mo-2.4 Ti C composites can expect to provide good biomedical applicati

关键词： Selective laser melting(SLM) Titanium Metal matrix composites Microstructures Mechanical properties Wear properties

Alloy design for laser powder bed fusion additive manufacturing:a critical review

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International Journal of Extreme Manufacturing 2024年第2期6卷 29-63页

作者： Zhuangzhuang Liu Qihang Zhou Xiaokang Liang Xiebin Wang Guichuan Li Kim Vanmeensel Jianxin Xie Key Laboratory for Advanced Materials Processing(MOE) Institute for Advanced Materials and TechnologyUniversity of Science and Technology BeijingBeijing 100083People’s Republic of China Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology BeijingBeijing 100083People’s Republic of China Beijing Laboratory of Metallic Materials and Processing for Modern Transportation Institute for Advanced Materials and TechnologyUniversity of Science and Technology BeijingBeijing 100083People’s Republic of China Capital Aerospace Machinery Corporation Limited Beijing 100076People’s Republic of China Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials(Ministry of Education) Shandong UniversityJingshi Road 17923Jinan 250061People’s Republic of China Department of Materials Engineering KU LeuvenLeuven 3001Belgium

Metal additive manufacturing(AM)has been extensively studied in recent *** the significant progress achieved in manufacturing complex shapes and structures,challenges such as severe cracking when using existing alloys for laser powder bed fusion(L-PBF)AM have *** challenges arise because commercial alloys are primarily designed for conventional casting or forging processes,overlooking the fast cooling rates,steep temperature gradients and multiple thermal cycles of *** address this,there is an urgent need to develop novel alloys specifically tailored for L-PBF *** review provides a comprehensive summary of the strategies employed in alloy design for *** aims to guide future research on designing novel alloys dedicated to L-PBF instead of adapting existing *** review begins by discussing the features of the L-PBF processes,focusing on rapid solidification and intrinsic heat ***,the printability of the four main existing alloys(Fe-,Ni-,Al-and Ti-based alloys)is critically assessed,with a comparison of their conventional *** was found that the weldability criteria are not always applicable in estimating ***,the review presents recent advances in alloy development and associated strategies,categorizing them into crack mitigation-oriented,microstructure manipulation-oriented and machine learning-assisted ***,an outlook and suggestions are given to highlight the issues that need to be addressed in future work.

关键词： laser powder bed fusion alloy design printability crack mitigation