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Surface engineering with ionic polymers on membranes for boron removal

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Frontiers of Chemical Science and Engineering 2024年第5期18卷 61-69页

作者： Xiting Zhang Chenyi Fang J Paul Chen Sui Zhang Department of Chemical and Biomolecular Engineering National University of SingaporeSingapore 117576Singapore Department of Civil and Environmental Engineering National University of SingaporeSingapore 119260Singapore College of Chemistry and Environmental Engineering Shenzhen UniversityShenzhen 518060China

Removal of boric acid from seawater and wastewater using reverse osmosis membrane technologies is imperative and yet remains inadequately addressed by current commercial *** research efforts performed post-modification of reverse osmosis membranes to enhance boron rejection,which is usually accompanied by substantial sacrifice in water *** study delves into the surface engineering of low-pressure reverse osmosis membranes,aiming to elevate boron removal efficiency while maintaining optimal salt rejection and water *** were modified by the self-polymerization and co-deposition of dopamine and polystyrene sulfonate at varying ratios and *** surfaces became smoother and more hydrophilic after *** optimum membrane exhibited a water permeability of 9.2±0.1 L·m^(-2)·h^(-1)·bar^(-1),NaCl rejection of 95.8%±0.3%,and boron rejection of 49.7%±0.1% and 99.6%±0.3% at neutral and alkaline pH,*** water permeability is reduced by less than 15%,while the boron rejection is 3.7 times higher compared to the blank *** research provides a promising avenue for enhancing boron removal in reverse osmosis membranes and addressing water quality concerns in the desalination process.

关键词： membrane low-pressure reverse osmosis boron surface engineering

pH-responsive metal nanoparticles as high contrast theranostic agents for selective imaging and synergistic cancer therapy

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Science China Chemistry 2024年第9期67卷 3063-3070页

作者： Sichao Tian Xiaofeng He Xiao Wu Dongxue Hu Qing-Hua Xu Department of Chemistry National University of SingaporeSingapore 117543Singapore National University of singapore(Suzhou)Research Institute Suzhou 215123China Institute of Medicinal Plant Development Chinese Academy of Medical Sciences and Peking Union Medical CollegeBeijing 100050China Department of Biological Sciences Faculty of ScienceNational University of SingaporeSingapore 117558Singapore

The low signal-to-noise ratio(S/N)and single functionality of fluorescence imaging agents have limited their practical *** two-photon excitation(2PE)imaging probes are highly desirable in vivo with larger imaging depth,minor autofluorescence background,and less ***,we developed responsive aggregated gold nanoparticles(Au NPs)as high contrast 2PE imaging agents,capable of emitting red fluorescence upon excitation of near-infrared(NIR)laser and possessing a high signal-to-noise ratio(S/N of 2,475).By forming aggregates in situ inside tumor tissue,doxorubicin hydrochloride(DOX)-loaded mix-charged gold nanoparticles(DOX-MC-Au NPs)were utilized to act as selective fluorescence imaging probes and precise therapy *** high-contrast theranostic agents offer a promising potential for precise cancer imaging and therapy,which might open a new venue to multifunctional and noninvasive theranostics.

关键词： metal nanoparticles two-photon excitation high contrast imaging agents fluorescence imaging cancer therapy

Protein-nucleic acid hybrid nanostructures for molecular diagnostic applications

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Nano Research 2024年第10期17卷 9003-9014页

作者： Noah R.Sundah Yuxuan Seah Auginia Natalia Xiaoyan Chen Panida Cen Yu Liu Huilin Shao Institute for Health Innovation and Technology National University of SingaporeSingapore 117599Singapore Department of Biomedical Engineering College of Design and EngineeringNational University of SingaporeSingapore 117583Singapore Integrative Sciences and Engineering Programme NUS Graduate SchoolNational University of SingaporeSingapore 119077Singapore Institute of Molecular and Cell Biology Agency for ScienceTechnology and ResearchSingapore 138673Singapore Department of Surgery Yong Loo Lin School of MedicineNational University of SingaporeSingapore 117597Singapore

Molecular diagnostic technologies empower new clinical opportunities in precision ***,existing approaches face limitations with respect to performance,operation and *** molecules including proteins and nucleic acids are being increasingly adopted as tools in the development of new molecular diagnostic *** particular,leveraging their complementary properties—the functional diversity of proteins and the precision programmability of nucleic acids—a wide range of protein–nucleic acid hybrid nanostructures have been *** hybrid structures take diverse forms,ranging from one-dimensional to three-dimensional hybrids,as static assemblies to dynamic machines,and possess myriad functions to recognize target biomarkers,encode vast information and execute catalytic *** by recent advances in this area of molecular nanotechnology,we review the state-of-art design and application of various types of protein–nucleic acid hybrid nanostructures for molecular diagnostics,and present an outlook on the challenges and opportunities for emerging pre-clinical and clinical applications,highlighting the promise for earlier detection,more refined diagnosis and highly tailored treatment decision that ultimately lead to improved patient outcomes.

关键词： molecular nanotechnology DNA-protein hybrid molecular diagnostics precision medicine

Demystifying energy savings from dynamic temperature setpoints under weather and occupancy variability

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Energy and Built Environment 2024年第6期5卷 878-888页

作者： Riccardo Talami Ilyas Dawoodjee Ali Ghahramani Department of the Built Environment National University of SingaporeSingapore 117566

Building temperature setpoints affect both HVAC energy consumption and occupant *** reduce HVAC energy usage,researchers often investigate how system operations can be optimized under weather and occupancy variability subject to a fixed setpoint that minimizes any possible *** previous research has explored the selection of dynamic setpoints to minimize HVAC energy consumption based on outdoor temperature,they have often neglected the impact of varying occupancy rates on the *** paper aims to demystify energy savings derived from fixed and dynamic temperature setpoints under weather and occupancy variability and explores the additional energy savings that can be achieved through dynamic temperature *** exhaustive HVAC zone temperature setpoint optimizer was developed to determine dynamic setpoints with respect to weather and occupancy(i.e.,setpoints that minimize HVAC energy consumption at different occupancy rates based on outdoor weather).*** reference building energy models for small,medium,and large office buildings were simulated at 17 climate zones,4 occupancy rates(25%,50%,75%,100%)and 7 setpoints(19.5℃to 25.5℃at 1℃interval).It was found that,both fixed and dynamic setpoints benefit from the energy reduction of approximately 2-4%from the lower heat generated by the occupants at lower occupancy ***,at outdoor temperatures between 5℃and 32℃where occupant heat loads can swing the building between heating,free-running,and cooling modes,dynamic setpoints yield additional 2-10%energy savings,compared to fixed setpoints.

关键词： Decarbonization Smart buildings Optimization Occupancy Heat loads

Evaluating different levels of information on the calibration of building energy simulation models

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Building Simulation 2024年第4期17卷 657-676页

作者： Siyu Cheng Zeynep Duygu Tekler Hongyuan Ji Wenxin Li Adrian Chong Department of the Built Environment College of Design and EngineeringNational University of Singapore4 Architecture DriveSingapore117566Singapore School of Civil Engineering and Architecture Chongqing University of Science and TechnologyChongqing401331China School of Energy and Environment Southeast UniversityNanjing210096China

A poorly calibrated model undermines confidence in the effectiveness of building energy simulation, impeding the widespread application of advanced energy conservation measures (ECMs). Striking a balance between information-gathering efforts and achieving sufficient model credibility is crucial but often obscured by ambiguities. To address this gap, we model and calibrate a test bed with different levels of information (LOI). Beginning with an initial model based on building geometry (LOI 1), we progressively introduce additional information, including nameplate information (LOI 2), envelope conductivity (LOI 3), zone infiltration rate (LOI 4), AHU fan power (LOI 5), and HVAC data (LOI 6). The models are evaluated for accuracy, consistency, and the robustness of their predictions. Our results indicate that adding more information for calibration leads to improved data fit. However, this improvement is not uniform across all observed outputs due to identifiability issues. Furthermore, for energy-saving analysis, adding more information can significantly affect the projected energy savings by up to two times. Nevertheless, for ECM ranking, models that did not meet ASHRAE 14 accuracy thresholds can yield correct retrofit decisions. These findings underscore equifinality in modeling complex building systems. Clearly, predictive accuracy is not synonymous with model credibility. Therefore, to balance efforts in information-gathering and model reliability, it is crucial to (1) determine the minimum level of information required for calibration compatible with its intended purpose and (2) calibrate models with information closely linked to all outputs of interest, particularly when simultaneous accuracy for multiple outputs is necessary.

关键词： calibration building energy simulation(BES) energy conservation measure(ECM) level of information field measurements

A Projection and Decomposition Approach for Multi-agent Coordinated Scheduling in Power Systems

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Journal of Modern Power Systems and Clean Energy 2024年第3期12卷 991-996页

作者： Haifeng Qiu Zhigang Li Hongjun Gao Hung Dinh Nguyen Veerapandiyan Veerasamy Hoay Beng Gooi the School of Electrical and Electronic Engineering Nanyang Technological University639798 Singapore the School of Electric Power Engineering South China University of TechnologyGuangzhou 510641China the College of Electrical Engineering Sichuan UniversityChengdu 610065China

Aiming at multi-agent coordinated scheduling problems in power systems under uncertainty,a generic projection and decomposition(P&D)approach is proposed in this *** canonical min-max-min two-stage robust optimization(TSRO)model with coupling constraints is equivalent to a concise robust optimization(RO)model in the version of mixed-integer linear programming(MILP)via feasible region *** decentralized decoupling of the non-convex MILP problem is realized through a dual decomposition algorithm,which ensures the fast convergence to a high-quality solution in the distributed *** tests verify the superior performance of the proposed P&D approach over the existing distributed TSRO method.

关键词： Coordinated scheduling multi-agent system distributed robust optimization projection and decomposition

Berry-Esseen bounds for self-normalized sums of locally dependent random variables

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Science China Mathematics 2024年第11期67卷 2629-2652页

作者： Zhuo-Song Zhang Department of Statistics and Data Science Southern University of Science and Technology

The Berry-Esseen bound provides an upper bound on the Kolmogorov distance between a random variable and the normal *** this paper,we establish Berry-Esseen bounds with optimal rates for self-normalized sums of locally dependent random variables,assuming only a second-moment *** proof leverages Stein's method and introduces a novel randomized concentration inequality,which may also be of independent interest for other *** main results have applied to self-normalized sums of m-dependent random variables and graph dependency models.

关键词： Berry-Esseen bounds self-normalized sums localdependence $m$-dependence graph dependency

Mo_(2)B_(2)O_(2)MBene for Efficient Electrochemical CO Reduction to C_(2)Chemicals:Computational Exploration

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Energy & Environmental Materials 2024年第6期7卷 342-350页

作者： Bikun Zhang Jianwen Jiang Department of Chemical and Biomolecular Engineering National University of SingaporeSingapore 117576Singapore

Emerging as a new class of two-dimensional materials with atomically thin layers,MBenes have great potential for many important applications such as energy storage and *** mitigating carbon footprint,there has been increasing interest in CO_(2)/CO conversion on MBenes,but mostly focused on C_(1)products.C^(2+)chemicals generally possess higher energy densities and wider applications than C_(1)***,C–C coupling is technically challenging because of high energy requirement and currently few catalysts are suited for this ***,we explore electrochemical CO reduction reaction to C_(2)chemicals on Mo_(2)B_(2)O_(2)MBene via density-functional theory ***,the most favorable CO–COH coupling is revealed to be a spontaneous and barrierless process,making Mo_(2)B_(2)O_(2)an efficient catalyst for C–C *** C_(1)and C_(2)chemicals,ethanol is predicted to be the primary ***,by charge and bond analysis,it is unraveled that there exist significantly more unbonded electrons in the C atom of intermediate*COH than other C_(1)intermediates,which is responsible for the facile C–C *** an atomic scale,this work provides microscopic insight into C–C coupling process and suggests Mo_(2)B_(2)O_(2)a promising catalyst for electrochemical CO reduction to C_(2)chemicals.

关键词： C_(2)chemicals C-C coupling density-functional theory MBene Mo2B2O2

Better engineering layered vanadium oxides for aqueous zinc‐ion batteries: Going beyond widening the interlayer spacing

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SmartMat 2024年第1期5卷 83-109页

作者： Yue Guo Hanmei Jiang Binbin Liu Xingyang Wang Yifu Zhang Jianguo Sun John Wang Department of Materials Science and Engineering National University of SingaporeSingaporeSingapore State Key Laboratory of Fine Chemicals School of Chemical EngineeringDalian University of TechnologyDalianChina Institute of Materials Research and Engineering(IMRE) Agency for ScienceTechnology and Research(A*STAR)SingaporeSingapore

Aqueous zinc‐ion batteries(ZIBs)are regarded as among the most promising candidates for large‐scale grid energy storage,owing to their high safety,low costs,and environmental *** the past decade,vanadium oxides,which are exemplified by V2O5,have been widely developed as a class of cathode materials for ZIBs,where the relatively high theoretical capacity and structural stability are among the main ***,there are considerable challenges in the construction of vanadium‐based ZIBs with high capacity,long lifespan,and excellent rate *** widenings of the interlayer spacing in the layered vanadium oxides by pre‐intercalations appear to have reached their limitations in improving the energy density and other key performance parameters of ZIBs,although various metal ions(Na+,Ca2+,and Al3+)and even organic cations/groups have been ***,we discuss the advances made more recently,and also the challenges faced by the high‐performance vanadium oxides(V2O5‐based)cathodes,where there are several strategies to improve their electrochemical performance ranging from the new structural designs down to sub‐nano‐scopic/molecular/atomic levels,including cation pre‐intercalation,structural water optimization,and defect engineering,to macroscopic structural *** key principles for an optimal structural design of the V2O5‐based cathode materials for high energy density and fast‐charging aqueous ZIBs are examined,aiming at paving the way for developing energy storage designed for those large scales,high safety,and low‐cost systems.

关键词： aqueous zinc‐ion batteries cations pre‐intercalation defect engineering structural water vanadium oxides