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Comprehensive study on the spatial distribution of heavy metals and their environmental risks in high-sulfur coal gangue dumps in China

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Journal of Environmental Sciences 2024年第2期136卷 486-497页

作者： Yingbo Dong Huan Lu hai lin School of Energy and Environmental Engineering University of Science and Technology BeijingBeijing 100083China Beijing Key Laboratory on Resource-oriented Treatment of Industrial Pollutants Beijing 100083China

The accumulation of coal gangue(CG)from coal mining is an important source of heavy metals(HMs)in *** spatial distribution and environment risk assessment are extremely important for the management and remediation of *** soil samples were collected from the high-sulfur CG site in northern China and analyzed for six *** results showed that the soil was heavily contaminated by Mn,Cr and Ni based on the Nemerow index,and posed seriously ecological risk depended on the geo-accumulation index,potential ecological risk index and risk assessment *** semi-variogram model and ordinary kriging interpolation accurately portrayed the spatial distribution of ***,Mn,and Cr were distributed by band diffusion,Ni was distributed by core,the distribution of Cu had obvious patchiness and Zn was more *** spatial autocorrelation indicated that all HMs had strong spatial *** BCR sequential extraction was employed to qualify the geochemical fractions of *** data indicated that Fe and Cr were dominated by residual fraction;Cu,Ni and Zn were dominated by reducible and oxidizable fractions;Mn was dominated by reducible and acid-extractable(25.38%-44.67%)*** correlation analysis showed that pH was the main control factor affecting the non-residue fractions of ***,acid production from high sulfur CG reduced soil pH by 2-3,which indirectly promoted the activity of ***,the conceptual model of HMs contamination at the CG site was proposed,which can be useful for the development of ecological remediation strategies.

关键词： High-sulfur coal gangue Soil contamination Heavy metals Spatial distribution Geochemical fractions Risk assessment

Removal of rubidium from brine by an integrated film of sulfonated polysulfone/graphene/potassium copper ferricyanide

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Chinese Journal of Chemical Engineering 2024年第5期69卷 112-121页

作者： Huanxi Xu Peihua lin Pei-Jun Liu hai-Gang Liu Hui-Bin Guo chao-Xiang Wu Ming Fang Xu Zhang Guan-Ping Jin Anhui Province Engineering Research Center of Flexible and Intelligent Materials School of Chemistry and Chemical EngineeringHefei University of TechnologyHefei 230009China Chemical Design and Research Institute Co. LTD of Qinghai ProvinceQinghai Engineering and Technology Research Center of Fine ChemicalXining 810008China

A novel integrated film of sulfonated polysulfone/graphene/potassium copper ferricyanide(KCuFC/SPSG)was used for selectively extracting rubidium ion(Rb^(+))from *** form KCuFC/SPSG,the precursor film of sulfonated polysulfone/graphene(SPSG)was synthesized by phase conversion process,which was alternately immersed in 0.1 mol·L^(-1)CuSO_(4)/K_(4)[Fe(CN)_(6)]by in-situ adsorption coupled co-precipitation *** data such as nuclear magnetic resonance spectrometer,Fourier transform infrared spectroscope,X-ray photoelectron spectroscope,X-ray diffraction,scanning electron microscope,and energy dispersive spectroscopy all verified that abundant KCuFC were uniformly located on the *** resulting KCuFC/SPSG was used in film separation *** the solution was fed into the system,the Rb^(+)could be selectively adsorption by KCuFC/*** the saturation adsorption,0.5 mol·L^(-1)NH_(4)Cl/HCl was fed into the film cell,Rb^(+)could be quickly desorbed by ion-exchange between Rb^(+)and NH_(4)^(+)in the lattice of *** purpose of separating and recovering Rb^(+)from the brine can be achieved after the repeated *** effects of pH,adsorption time,and interferential ions on the adsorption capacity of Rb^(+)were investigated by batch *** adsorption behavior fits the pseudo-second order kinetic process,while KCuFC has a higher adsorption capacity(Langmuir maximum sorption 165.4 mg·g^(-1)).In addition,KCuFC/SPSG shows excellent selectivity for Rb^(+)even in complex brine ***/SPSG could maintain 93.5%extraction efficiency after five adsorption/desorption cycles.

关键词： Rubidium extraction Potassium copper ferricyanide Sulfonated polysulfone Graphene oxide Adsorption

Bioleaching of vanadium from stone coal vanadium ore by Bacillus mucilaginosus:Influencing factors and mechanism

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International Journal of Minerals,Metallurgy and Materials 2024年第8期31卷 1828-1838页

作者： Yingbo Dong Jinyu Zan hai lin School of Energy and Environmental Engineering University of Science and Technology BeijingBeijing 100083China Beijing Key Laboratory on Resource-oriented Treatment of Industrial Pollutants Beijing 100083China

Vanadium and its derivatives are used in various industries,including steel,metallurgy,pharmaceuticals,and aerospace *** China has massive reserves of stone coal resources,these resources have low ***,the effective extraction and recovery of metallic vanadium from stone coal is an important way to realize the efficient resource utilization of stone coal vanadium ***,Bacillus mucilaginosus was selected as the leaching *** vanadium leaching rate reached 35.5%after 20 d of bioleaching under optimal operating *** cumulative vanadium leaching rate in the contact group reached 35.5%,which was higher than that in the noncontact group(9.3%).The metabolites of ***,such as oxalic,tartaric,citric,and malic acids,dominated in bioleaching,accounting for 73.8%of the vanadium leaching ***,during leaching,the presence of stone coal stimulated the expression of carbonic anhydrase in bacterial cells,and enzyme activity increased by 1.335-1.905 *** activity positively promoted the production of metabolite organic acids,and total organic acid content increased by 39.31 mg·L^(-1),resulting in a reduction of 2.51 in the pH of the leaching system with stone *** effect favored the leaching of vanadium from stone *** force microscopy illustrated that bacterial leaching exacerbated corrosion on the surface of stone coal beyond 10 *** study provides a clear and promising strategy for exploring the bioleaching mechanism from the perspective of microbial enzyme activity and metabolites.

关键词： Bacillus mucilaginosus stone coal vanadium ore bioleaching carbonic anhydrase organic acids

DeepLogic:Priority Testing of Deep Learning Through Interpretable Logic Units

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Chinese Journal of Electronics 2024年第4期33卷 948-964页

作者： Chenhao lin Xingliang ZHANG chao SHEN Faculty of Electronic and Infomation Engineering Xi'an Jiaotong University

With the increasing deployment of deep learning-based systems in various scenes, it is becoming important to conduct sufficient testing and evaluation of deep learning models to improve their interpretability and robustness. Recent studies have proposed different criteria and strategies for deep neural network(DNN) ***, they rarely conduct effective testing on the robustness of DNN models and lack interpretability. This paper proposes a new priority testing criterion, called DeepLogic, to analyze the robustness of the DNN models from the perspective of model interpretability. We first define the neural units in DNN with the highest average activation probability as “interpretable logic units”. We analyze the changes in these units to evaluate the model's robustness by conducting adversarial attacks. After that, the interpretable logic units of the inputs are taken as context attributes, and the probability distribution of the softmax layer in the model is taken as internal attributes to establish a comprehensive test prioritization framework. The weight fusion of context and internal factors is carried out, and the test cases are sorted according to this priority. The experimental results on four popular DNN models using eight testing metrics show that our DeepLogic significantly outperforms existing state-of-the-art methods.

关键词： Deep learning Measurement Analytical models Artificial neural networks Robustness Probability distribution Logic

A bifunctional POM-based Cu-viologen complex with mixed octamolybdate clusters for rapid oxidation desulfurization and effective photogeneration of hydrogen

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Rare Metals 2024年第1期43卷 236-246页

作者： lin Yang Zhong Zhang chao-Nan Zhang Xiu-Li Wang College of Chemistry and Materials Engineering Bohai UniversityJinzhou 121013China Professional Technology Innovation Center of Liaoning Province for Conversion Materials of Solar Cell Bohai UniversityJinzhou 121013China

The design and synthesis of catalysts for the oxidation desulfurization and production of hydrogen are extremely important for solving environmental pollution and energy ***,a novel bifunctional [α-Mo_(8)O_(26)]^(4-)/[β-Mo_(8)O_(26)]^(4-)-based Cu-viologen complex H_(4)[Cu_(2)~ⅠCl_(2)(Hbcbpy)_(4)] [α-Mo_(8)O_(26)] [β-Mo8O_(26)]·H_(2)O(BHU-2,Hbcbpy=1-(4-carboxybenzyl)-4,4'-bipyridinium) was synthesized and characterized by single-crystal X-ray diffraction(XRD),infrared radiation spectra,powder X-ray diffraction(PXRD) and X-ray photoelectron spectroscopy(XPS) *** structural characteristic of BHU-2 is the presence of two types of octamolybdate clusters [α-Mo_(8)O_(26)]^(4-)/[β-Mo_(8)O_(26)]^(4-)and a new binuclear Cu~Ⅰ-Hbcbpy complex linked by Cl-bridges[Cu_(2)ⅠCl_(2)(Hbcbpy)_(4)]^(4+).BHU-2 as a heterogeneous catalyst exhibits excellent activities to the oxidation desulfurization and photocatalytic hydrogen *** room temperature,BHU-2 can catalyze 96% conversion of methyl phenyl sulfide with 98% selectivity,and the process obeys the pseudo-first-order reaction kinetic with the half-life of9.6 *** notorious 2-chloroethyl ethyl sulfide can achieve 99% conversion with 98% selectivity within only1 min at the presence of BHU-2,and the turnover frequency(TOF) is up to 7400 h^(-1).BHU-2 also exhibits high catalytic activity for the oxidation of other aromatic and aliphatic thioethers within short time at room ***,BHU-2 shows a high catalytic activity for visible-light-driven hydrogen evolution with an H_(2) evolution rate of 1677.85 μmol·g^(-1)·h^(-1) within 10 ***,the catalytic activities do not decrease evidently after three cycles,revealing the prominent structural stability and recyclability.

关键词： Polyoxometalate Metal-organic complex Viologen Oxidation desulfurization Photocatalytic hydrogen production

MicroED as a powerful technique for the structure determination of complex porous materials

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Chinese Journal of Structural Chemistry 2024年第3期43卷 41-54页

作者： chao Ma Cong lin Jian Li State Key Laboratory of Coordination Chemistry School of Chemistry and Chemical EngineeringNanjing UniversityNanjing210023China Department of Applied Biology and Chemical Technology The Hong Kong Polytechnic UniversityKowloonHong Kong China

Porous materials have garnered significant attention in recent *** the intrinsic relationship between their structures and properties requires precise knowledge of their atomic ***-crystal X-ray diffraction(SCXRD)has traditionally been the primary method for elucidating such structures,but it demands large,high-quality crystals,often exceeding 5μm in *** growth of these crystals can be a time-consuming process,especially for one-and two-dimensional *** explore structures at the nanoscale,MicroED(microcrystal electron diffraction(ED))offers unprecedented insights into the realm of *** revolutionary technique enables researchers to uncover intricate details within nanoscale structures,promising to reshape our fundamental understanding of *** this review,we delve into the applications of MicroED in the study of various porous materials,including zeolites,metal-organic frameworks(MOFs),and covalent organic frameworks(COFs).We emphasize the pivotal role of MicroED in nanomaterial characterization,enabling precise crystallographic analysis and phase identification.

关键词： Atomic structure MicroED Porous materials Three-dimensional electron diffraction

Data-driven mapping-relationship mining between hardness and mechanical properties of dual-phase titanium alloys via random forest and statistical analysis

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Rare Metals 2024年第2期43卷 829-841页

作者： hai-chao Gong Qun-Bo Fan Hong-Mei Zhang Xing-Wang Cheng Wen-Qiang Xie Kai Chen lin Yang Jun-Jie Zhang Bing-Qiang Wei Shun Xu School of Materials Science and Engineering Beijing Institute of TechnologyBeijing100081China National Key Laboratory of Science and Technology on Materials Under Shock and Impact Beijing100081China Beijing Institute of Technology Chongqing Innovation Center Chongqing401135China Department of Mechanical and Materials Engineering University of Nebraska-LincolnLincolnNE68588USA

In order to accelerate the research on the property optimization of titanium alloy based on high-throughput methods,it is necessary to reveal the relationship between hardness and other mechanical properties which is still *** this work,taking Ti20C alloy as research object,almost all the microstructure of dual-phase titanium alloys were covered by traversing over 100 heat treatment ***,massive experiments including microstructure characterization and performance test were conducted,obtaining 51,590 pieces of microstructure data and 3591 pieces of mechanical property ***,based on large-scale data-driven technology,the quantitative mapping relationship between hardness and other mechanical properties was deeply *** results of random forest models showed that the correlation between hardness(H)and Charpy impact energy(A_(k))(or elongation,A)was hardly dependent on the microstructure types,while the relationship between H and tensile strength(R_(m))(or yield strength,R_(p0.2))was highly dependent on microstructure ***,combined with statistical analysis,it was found that the relationship between H and Ak(or A)were negatively ***,the relationship between H and strength was positively linear for equiaxed microstructure,and strength was linked to d^(−1/2)(d,equivalent circle diameter)ofα-grains in the form of classical Hall–Petch formula;but for other microstructures,the relationships were ***,the above rules were nearly the same in the rolling direction and transverse ***,a"four-quadrant partition map"between H and R_(p0.2)/R_(m) was established as a versatile material-screening tool,which can provide guidance for on-demand selection of titanium alloys.

关键词： Dual-phase titanium alloy Data-driven Hardness Mapping relationship

Efficient synthesis of bottle-brush polymers enabled by selective photoactivation strategy in NIR-induced PET-RAFT polymerization

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Science China Chemistry 2024年第7期67卷 2353-2361页

作者： Hao Zha lin Cheng Zuowei Wang chao Liu Chunyan Hong Department of Polymer Science and Engineering University of Science and Technology of ChinaHefei 230026China Hefei National Laboratory for Physical Sciences at the Microscale University of Science and Technology of ChinaHefei 230026China

Bottle-brush polymers possessing densely grafted side chains have special properties that are distinct from linear ***,an efficient method for preparing bottle-brush polymers based on a selective photoactivation strategy in the photoinduced electron/energy transfer reversible addition-fragmentation chain transfer(PET-RAFT)polymerization was developed.A methacrylate monomer 2-(2-(dodecylthiocarbonothioylthio)propionate)ethyl methacrylate(DTPEMA)containing a 2-(dodecylthiocarbonothioylthio)propionate(DTP)unit with a secondary R group was *** the unique selectivity of metal naphthalocyanine photocatalyst zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine(ZnTtBNc)toward trithiocarbonate with tertiary R group,the PET-RAFT polymerization of DTPEMA catalyzed by ZnTtBNc was performed under near infrared(NIR)light(λ_(max)=760 nm)irradiation at room temperature,using 4-cyano-4-[(dodecylsulfanylthiocarbonyl)-sulfanyl]pentanoic acid(CDTPA)with a tertiary R group as a chain transfer agent(CTA).Proton nuclear magnetic resonance(1H NMR)and gel permeation chromatography(GPC)results demonstrated that the DTP units in the side chains were inert during the *** grafting poly(methyl acrylate)(PMA)from PDTPEMA via thermal-initiated RAFT polymerization,welldefined P(DTPEMA-g-PMA)bottle-brush polymers could be ***,the film prepared from the bottle-brush polymer exhibited excellent scratch self-healing property due to the interlocking of side chains.

关键词： bottle-brush polymers PET-RAFT polymerization selective photoactivation scratch self-healing

Drug repurposing for cancer therapy

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Signal Transduction and Targeted Therapy 2024年第5期9卷 1981-2013页

作者： Ying Xia Ming Sun hai Huang Wei-lin Jin Center for Clinical Laboratories The Affiliated Hospital of Guizhou Medical UniversityGuiyang 550004PR China The First Affiliated Hospital of Guizhou University of Traditional Chinese Medicine Guiyang 550001PR China School of Clinical Laboratory Science Guizhou Medical UniversityGuiyang 550004PR China Division of Gastroenterology and Hepatology Department of Medicine andDepartment of OncologySidney Kimmel Comprehensive Cancer CenterJohns Hopkins University School of MedicineBaltimoreMD 21287USA Institute of Cancer Neuroscience Medical Frontier Innovation Research CenterThe First Hospital of Lanzhou UniversityThe First Clinical Medical College of Lanzhou UniversityLanzhou 730000PR China

Cancer,a complex and multifactorial disease,presents a significant challenge to global *** significant advances in surgical,radiotherapeutic and immunological approaches,which have improved cancer treatment outcomes,drug therapy continues to serve as a key therapeutic ***,the clinical efficacy of drug therapy is often constrained by drug resistance and severe toxic side effects,and thus there remains a critical need to develop novel cancer *** promising strategy that has received widespread attention in recent years is drug repurposing:the identification of new applications for existing,clinically approved *** repurposing possesses several inherent advantages in the context of cancer treatment since repurposed drugs are typically cost-effective,proven to be safe,and can significantly expedite the drug development process due to their already established safety *** light of this,the present review offers a comprehensive overview of the various methods employed in drug repurposing,specifically focusing on the repurposing of drugs to treat *** describe the antitumor properties of candidate drugs,and discuss in detail how they target both the hallmarks of cancer in tumor cells and the surrounding tumor *** addition,we examine the innovative strategy of integrating drug repurposing with nanotechnology to enhance topical drug *** also emphasize the critical role that repurposed drugs can play when used as part of a combination therapy *** conclude,we outline the challenges associated with repurposing drugs and consider the future prospects of these repurposed drugs transitioning into clinical application.

关键词： drugs integrating spite