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Use of DREAM to assess relative risks of presence of pharmaceuticals and personal care products from a wastewater treatment plant

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Frontiers of Environmental Science & Engineering 2024年第9期18卷 91-104页

作者： Daniela M.Pampanin Daniel Schlenk Matteo Vitale Pierre Liboureau Magne O Sydnes department of chemistry Bioscience and Environmental EngineeringUniversity of StavangerStavanger 224021Norway department of Environmental sciences University of California RiversideRiversideCA 92521USA

Concerns related to environmental risks associated with pharmaceuticals and personal care products(PPCPs)have led researchers to seek methods for assessing and monitoring these contaminants in the aquatic *** and validating risk assessment tools that can evaluate ecological concerns and risks associated with PPCPs is ***,the suitability of a dose-related risk and effect assessment model,which estimates predicted environmental concentrations and allowed comparisons with predicted no effect concentrations determined,in combination with in vitro analyses of the whole effluent toxicity,was verified for the characterization of a PPCP *** of the most utilized PPCPs in Norway were measured in influent and effluent samples and used to parameterize the fate *** than 90%removal was attained for 12 out of 22 detected *** was not dependent on the class or the concentration of the specific substance and varied between 12%and 100%.The PPCPs detected in the discharged wastewater were utilized to assess individual contributions to the risk of the effluent,and no risk was identified for the targeted 30 *** simulations provided valuable information regarding the discharge plume distribution over time,which can aid planning of future environmental monitoring ***(using fish liver cells,PLHC-1)were used for assessing overall effluent toxicity,through cell viability,production of reactive oxygen species,and ethoxyresorufin-O-deethylase(EROD)*** present study may allow regulators to use risk-based strategies over removal criteria for monitoring studies and confirms the importance to take PPCP contamination into consideration when establishing environmental regulations.

关键词： Pharmaceuticals Wastewater effluent Ciprofloxacin Metoprolol Amitriptyline Carbamazepine Modelling Risk assessment Monitoring

Assembly of peptide nanostructures with controllable sizes

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Nano Research 2024年第1期17卷 151-161页

作者： Dan Cheng Fan Jia Yun-Bao Jiang Vincent P.Conticello Tao Jiang The MOE Key Laboratory of Spectrochemical Analysis and Instrumentation Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China Innovation Laboratory for sciences and Technologies of Energy Materials of Fujian Province(IKKEM) Xiamen 361005China department of chemistry Emory UniversityAtlanta 30033USA

Controlled peptide assembly offers significant promise to develop synthetic supramolecular nanostructures to display material and biological properties that mimic protein assemblies in *** the progress in forming peptide nanostructures of various morphology,there exists a distinct gap between natural and synthetic assembly systems in terms of size *** nanostructures with a narrow size distribution that can be tuned over a wide range of length-scales is essential for applications that require precise spacing between *** approach provides the opportunity to correlate materials and biological properties of interest with assembly *** this review,we discuss representative endeavors over the past two decades for design of size-controllable peptide nanostructures using tunable building *** mechanisms for size control,e.g.,molecular frustration,template-directed peptide assembly,and multi-component peptide co-assembly,will also be *** also demonstrate the applicable scopes of these strategies and suggest potential future avenues for scientific advances in this field.

关键词： peptide assembly controllable size template multi-component

How interfacial electron-donating defects influence the structure and charge of gold nanoparticles on TiO_(2)support

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Nano Research 2024年第7期17卷 5965-5974页

作者： Guang-Jie Xia Yu Fu Wei Cao Jun Li Yang-Gang Wang department of chemistry and Guangdong Provincial Key Laboratory of Catalysis Southern University of Science and TechnologyShenzhen 518055China School of Physical sciences Great Bay UniversityDongguan 523000China department of chemistry Tsinghua UniversityBeijing 100084China

The reduction degree of TiO_(2)support is critical to the performances of metal *** many previous theoretical calculations,only the bridge oxygen vacancy(Ov)was considered as the electron-donating defect on reduced rutile TiO_(2)(r-TiO_(2−x))***,titanium adatoms(Tiad.),oxidized titanium islands(***),and acid hydroxyls(ObrH)also exist at the metal/support *** conducting density functional theory(DFT)calculations and ab initio molecular dynamics(AIMD)simulations,we compared r-TiO_(2−x)surfaces with Ov,Tiad.,***,and ObrH sites loaded with Au nanoparticles(NPs).The results showed the Au NPs were oxygen-phobic but titanium-philic,resulting in wetting of Ov and *** short contact with *** and *** Bader charges of Au NPs(QM)showed a good linear relationship with the ideal number of donating electrons(Ne)from the defective sites(QM=−KeNe+QM,S),demonstrating the intrinsic electron allocation at the *** Ov,Tiad.,and *** exhibited similar slopes(Ke),relatively steeper than that of *** means in the scope of Au NP charge state,the *** *** have a close electron-donating ability with Ov,but the ObrH donates relatively fewer *** linear relationship can be extended approximately to other *** higher the metal work function,the steeper the Ke for easier electron donation from defective *** stronger the metal oxygen affinity,the more positive the intercept(QM,S).That explains the easy generation of metallic or negative Pt and Au NPs on r-TiO_(2−x),but hard for Cu and Zn in *** provides theoretical guidance for regulating the charge of metal NPs over TiO_(2−x)supports.

关键词： metal-support interaction titanium oxide oxygen vacancy surface hydroxyl titanium adatom

Synergetic Control of Li^(+)Transport Ability and Solid Electrolyte Interphase by Boron-Rich Hexagonal Skeleton Structured All-Solid-State Polymer Electrolyte

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Energy & Environmental Materials 2024年第3期7卷 154-163页

作者： Yanan Li Shunchao Ma Yuehua Zhao Silin Chen Tingting Xiao Hongxing Yin Huiyu Song Xiumei Pan Lina Cong Haiming Xie department of chemistry National&Local United Engineering Laboratory for Power BatteryNortheast Normal UniversityChangchun 130024China State Key Laboratory of Electroanalytical chemistry Changchun Institute of Applied Chemistry Chinese Academy of SciencesChangchun 130022China

High Li^(+)transference number electrolytes have long been understood to provide attractive candidates for realizing uniform deposition of Li^(+).However,such electrolytes with immobilized anions would result in incomplete solid electrolyte interphase(SEI)formation on the Li anode because it suffers from the absence of appropriate inorganic components entirely derived from anions ***,a boron-rich hexagonal polymer structured all-solid-state polymer electrolyte(BSPE+10%LiBOB)with regulated intermolecular interaction is proposed to trade off a high Li^(+)transference number against stable SEI *** Li^(+)transference number of the as-prepared electrolyte is increased from 0.23 to 0.83 owing to the boron-rich cross-linker(BC)*** intriguingly,for the first time,the experiments combined with theoretical calculation results reveal that BOB^(-)anions have stronger interaction with B atoms in polymer chain than TFSI^(-),which significantly induce the TFSI^(-)decomposition and consequently increase the amount of LiF and Li3N in the SEI ***,a LiFePO_(4)|BSPE+10%LiBOBlLi cell retains 96.7%after 400 cycles while the cell without BC-resisted electrolyte only retains 40.8%.BSPE+10%LiBOB also facilitates stable electrochemical cycling of solid-state Li-S *** study blazes a new trail in controlling the Li^(+)transport ability and SEI properties,synergistically.

关键词： all-solid-state electrolyte boron-rich polymer lithium metal batteries lithium-ion transference number solid electrolyte interphase layer

Polyelectrolyte Complexes and Coacervates Formed by De novo-Designed Peptides and Oligonucleotide

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Chinese Journal of Polymer Science 2024年第9期42卷 1333-1340,I0007页

作者： Tian-Hao Ren De-Hai Liang Beijing National Laboratory for Molecular sciences Department of Polymer Science and Engineering and the Key Laboratory of Polymer Chemistry and Physics of the Ministry of EducationCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing100871China

The liquid-liquid phase separation of biopolymers in living cells contains multiple interactions and occurs in a dynamic *** the regulation mechanism is still a *** this work,we designed a series of peptides(XXLY)_(6)SSSGSS and studied their complexation and coacervation behavior with single-stranded ***“X”and“Y”are varied to combine known amounts of charged and non-charged amino acids,together with the introduction of secondary structures and pH *** show that the electrostatic interaction,which is described as charge density,controls both the strength of complexation and the degree of chain relaxation,and thus determines the growth and size of the *** hydrophobic interaction is prominent when the charges are ***,the secondary structures of peptides exhibit profound effect on the morphology of the phases,such as solid phase to liquid phase *** study gains insight into the phase separation under physiological *** is also helpful to create coacervates with desirable structures and functions.

关键词： Polyelectrolyte complex Coacervate Peptides Secondary structure Electrostatic interaction

Confluence of asymmetric catalysis and electrosynthesis in sustainable chemical transformations

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Science China chemistry 2024年第3期67卷 755-758页

作者： Qinglin Zhang Kang Liang Chang Guo Hefei National Research Center for Physical sciences at the Microscale and department of chemistry University of Science and Technology of ChinaHefei 230026China

Electrosynthesis has gained widespread recognition for its extraordinary ability to precisely control the redox *** outstanding capability enables the direct conversion of non-functionalized substrates into reactive intermediates by utilizing easily accessible starting materials, eliminating the need for preliminary functionalization procedures and allowing for unconventional bond activations.

关键词： Confluence of asymmetric catalysis and electrosynthesis in sustainable chemical transformations

Bright InP quantum dots by Ga-doping for red emitters

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Nano Research 2024年第7期17卷 6721-6733页

作者： Kai-Zheng Song Xiao-Hang He Zhe-Yong Chen Ge Tang Jin-Zhao Huang Feng-Lei Jiang College of chemistry and Molecular sciences Wuhan UniversityWuhan 430072China

Environment-friendly indium phosphide(InP)-based quantum dots(QDs)with efficient red-emitting properties are sufficiently needed to satisfy the requirement of burgeoning display and lighting ***,the syntheses of InP QDs using tris(trimethylsilyl)phosphine as the precursor are highly toxic and ***,we successfully introduced gallium(Ga)ions into tris(dimethylamino)phosphine-based red InP cores through thermally-promoted cation exchange,and the obtained Ga-doped InP cores exhibited significantly increased photoluminescence quantum yields(PLQY)of up to 26%.The existence of Ga was directly confirmed by energy-dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy,and the functions of Ga were systematically *** subsequent coating of Ga-doped InP cores with ZnSeS and ZnS shells,the resulting Ga-InP/ZnSeS/ZnS QDs achieved a high PLQY of 62%with an emission maximum at 640 *** contrast,without Ga-doping,the PLQY only attained 36%using the same synthetic *** indicated an approximate 1.7-fold increase in *** enhancement of photoluminescence was related to the Ga^(3+),as it not only passivated surface defects of InP cores but also reduced core–shell interface *** Ga-InP/ZnSeS/ZnS QDs exhibited good stability towards heat treatment and ultraviolet(UV)***,the red light-emitting diode(LED)based on Ga-InP/ZnSeS/ZnS QDs performed well in a wide injected current range of 2 to 200 mA,with a maximum power efficiency of 0.68 lm/*** work showcases Ga-doping through cation exchange as a promising strategy for enhancing the efficiency of InP-based red emitters.

关键词： indium phosphide gallium doping optical properties light emitting diode

Recent advances in glycerol valorization through electrocatalytic methods

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Tungsten 2024年第4期6卷 696-710页

作者： Hao-Hai Dong Yu-Xin Zhu Yi-Gu Li Jia-Yan Liang Ya Tan Xin-Yue Zhang Hao-Min Jiang Liu Lin Ze-Min Sun Center for Advanced Materials Research & College of Arts and sciences Beijing Normal University department of chemistry University College London

The recent tremendous growth of biodiesel production from vegetable oils or waste fats has led to increased glycerol accumulation as a by-product of this *** sparked attention towards glycerol use and valorization of this largely available and cheap *** several methods for glycerol valorization,electrochemical glycerol oxidation reaction(EGOR)is an attractive alternative anodic reaction to oxygen evolution reaction for a variety of electrolytic synthesis,due to the low thermodynamic ***,the EGOR at the anode can be coupled with a cathodic hydrogen evolution reaction to achieve efficient energy conversion in an aqueous electrolytic *** review provides a comprehensive summary and critical analysis of glycerol electrochemical oxidation research during the last 5 *** review focuses on the recent development and prospects of electrochemical pathways(indirect or direct routes) for application in the *** particular,the recent development and prospects of using noble and non-noble group metal catalysts for glycerol electro-oxidation are ***,reaction product selectivity analysis and conversion efficiency are also highlighted.

关键词： Active oxygen species Electrocatalytic methods Glycerol Noble metal catalysts Non-noble metal catalysts

A Fluorine-Functionalized 3D Covalent Organic Framework with Entangled 2D Layers

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Chinese Journal of Polymer Science 2024年第8期42卷 1210-1216页

作者： Li-Bang Xiao Zi-Han Wu Jun-Jie Xin Yuan-Peng Cheng Bo Gui Jun-Liang Sun Cheng Wang College of chemistry and Molecular sciences Wuhan UniversityWuhan 430072China College of chemistry and Molecular Engineering Beijing National Laboratory for Molecular SciencesPeking UniversityBeijing 100871China

Constructing three dimensional(3D)covalent organic frameworks(COFs)through the entanglement of two dimensional(2D)nets is a promising but underdeveloped ***,we report the design and synthesis of a fluorine functionalized 3DCOF(3D-An-COF-F)formed by entangled 2D sql *** structure of 3D-An-COF-F was determined by the combination of continuous rotation electron diffraction technique and modelling based on the chemical information from real ***,compared to the isostructural 3D-An-COF without F atom s,3DAn-COF-F showed an improved CO_(2)sorption ability and higher CO_(2)/N_(2)*** study not only demonstrated the generality of constructing 3D COFs with entangled 2D nets by introducing bulky groups vertically in planar building blocks,but also will expand the diversity of 3D COFs for various applications.

关键词： 3D covalent organic frameworks Fluorine Entangled 2D layers Electron diffraction CO_(2)adsorption