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Kinetic study and DFT calculation on the tetracycline abatement by peracetic acid

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Chinese Chemical Letters 2024年第9期35卷 346-350页

作者： dan-Ying Xing Xiao-dan Zhao Chuan-Shu He Bo Lai College of Chemical Engineering Huaqiao UniversityXiamen 361021China State Key Laboratory of Hydraulics and Mountain River Engineering College of Architecture and EnvironmentSichuan UniversityChengdu 610065China

Water contamination by tetracycline(TC)has emerged as an environmental concern owing to its widespread use and antibiotic *** of peracetic acid(PAA)in the water and wastewater treatment has recently been proposed and demonstrated to be effective for TC abatement,yet the underlying reaction kinetics between the PAA and TC are not yet *** explore the reaction kinetics,the effect of solution pH on TC abatement by PAA is studied and the species-specific rate constants are *** ability to donate and accept electrons for different species of TC and PAA is evaluated via density functional theory(DFT)*** pH-dependent apparent second-order rate constants of TC abatement by PAA exhibits the parabolic shape with the maximum at p H 8.5(9.75 L mol^(-1)s^(-1)).This phenomenon is closely related to the speciation of TC and PAA,in which the reaction between PAAH and TTC^(2-)possesses the highest species-specific rate constants according to the kinetic *** DFT calculations suggest that the HOMO of TTCH^(+),TTC,TTC^(-),TTC^(2-)and the LUMO of PAAH and PAA-are–6.40,–6.26,–5.10,–4.94 e V and–0.24,0.60 e V,*** to the DFT calculations,deprotonation of TC and PAA leads to an increase of the HOMO value of TC and the LUMO value of ***,the HOMOTC–LUMOPAAvalues is in good agreement with the trend of species-specific rate constants,which can be used to evaluate the reactivity between PAA and TC with different *** study provides the kinetic data and theoretical basis for the reaction of PAA and TC,which is critical for the application of PAA in the treatment of water and wastewater.

关键词： Peracetic acid Tetracycline Kinetics Rate constants DFT calculation

Hollow Multi-shelled Structure Photoelectric Materials: Multiple Shells Bring Novel Properties

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Chemical Research in Chinese Universities 2024年第3期40卷 413-427页

作者： SU Fengmei WAN Jiawei WANG dan State Key Laboratory of Biochemical Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190P.R.China University of Chinese Academy of Sciences Beijing 100049P.R.China Key Laboratory of Biopharmaceutical Preparation and Delivery Chinese AcademyofSciencesBeijing 100049P.R.China

Hollow multi-shelled structures(HoMSs)have made significant strides across a wide spectrum of scientific investigations since the inception of the sequential templating approach(STA)in 2009,revealing distinctive temporal-spatial ordering *** recent establishment of a mathematical model for STA has not only demystified the formation of concentration waves within the STA process but also extended its relevance to gentler solutionbased systems,thereby broadening the HoMs ***,focusing on photoelectric applications,this review first summarizes the unique temporal-spatial ordering features of ***,the greatly enhanced properties of light capture and absorption,exciton separation,and transfer are deeply ***,we conclude with a perspective on the potential challenges and burgeoning opportunities that lie ahead in the advancement of HoMs development.

关键词： Hollow multi-shelled structure Photoelectric conversion Sequential templating approach Light absorption Chargetransfer

Bronchoalveolar lavage fluid assessment facilitates precision medicine for lung cancer

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Cancer Biology & Medicine 2024年第3期21卷 230-251页

作者： Hantao Zhang dan Deng Shujun Li Jing Ren Wei Huang dan Liu Weiya Wang Department of Pathology West China HospitalSichuan UniversityChengdu 610000China West China Biobank West China HospitalSichuan UniversityChengdu 610000China Department of Respiratory and Critical Care Medicine Clinical Research Center for Respiratory DiseaseWest China HospitalSichuan UniversityChengdu 610000China

Lung cancer is the most common and fatal malignant disease worldwide and has the highest mortality rate among tumor-related causes of *** diagnosis and precision medicine can significantly improve the survival rate and prognosis of lung cancer *** present,the clinical diagnosis of lung cancer is challenging due to a lack of effective non-invasive detection methods and biomarkers,and treatment is primarily hindered by drug resistance and high tumor *** biopsy is a method for detecting circulating biomarkers in the blood and other body fluids containing genetic information from primary tumor *** lavage fluid(BALF)is a potential liquid biopsy medium that is rich in a variety of bioactive substances and cell *** contains information on the key characteristics of tumors,including the tumor subtype,gene mutation type,and tumor environment,thus BALF may be used as a diagnostic supplement to lung *** this review,the current research on BALF in the diagnosis,treatment,and prognosis of lung cancer is *** advantages and disadvantages of different components of BALF,including cells,cell-free DNA,extracellular vesicles,and micro RNA are *** particular,the great potential of extracellular vesicles in precision diagnosis and detection of drug-resistant for lung cancer is *** addition,the performance of liquid biopsies with different body fluid sources in lung cancer detection are compared to facilitate more selective studies involving BALF,thereby promoting the application of BALF for precision medicine in lung cancer patients in the future.

关键词： Lung cancer bronchoalveolar lavage fluid extracellular vesicles liquid biopsy precision medicine

Selective sampling with Gromov–Hausdorff metric:Efficient dense-shape correspondence via Confidence-based sample consensus

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虚拟现实与智能硬件（中英文） 2024年第1期6卷 30-42页

作者： Dvir GINZBURG dan RAVIV Department of Engineering University of Tel AvivIsrael

Background Functional mapping, despite its proven efficiency, suffers from a “chicken or egg” scenario, in that, poor spatial features lead to inadequate spectral alignment and vice versa during training, often resulting in slow convergence, high computational costs, and learning failures, particularly when small datasets are used. Methods A novel method is presented for dense-shape correspondence, whereby the spatial information transformed by neural networks is combined with the projections onto spectral maps to overcome the “chicken or egg” challenge by selectively sampling only points with high confidence in their alignment. These points then contribute to the alignment and spectral loss terms, boosting training, and accelerating convergence by a factor of five. To ensure full unsupervised learning, the Gromov–Hausdorff distance metric was used to select the points with the maximal alignment score displaying most confidence. Results The effectiveness of the proposed approach was demonstrated on several benchmark datasets, whereby results were reported as superior to those of spectral and spatial-based methods. Conclusions The proposed method provides a promising new approach to dense-shape correspondence, addressing the key challenges in the field and offering significant advantages over the current methods, including faster convergence, improved accuracy, and reduced computational costs.

关键词： Dense-shape correspondence Spatial information Neural networks Spectral maps Selective sampling

Synthesis Chemistry & Performance Enhancement of Critical Inorganic Functional Materials

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Chemical Research in Chinese Universities 2024年第3期40卷 343-345页

作者： WANG dan YU Ranbo State Key Laboratory of Biochemical Engineering Key Laboratory of Biopharmaceutical Preparation and DeliveryInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190P.R.China Department of Physical Chemistry School of Metallurgical and Ecological EngineeringUniversity of Science&Technology BeijingBeijing 100083P.R.China

The development of human economy and society relies on the advancement of materials,and the research of advanced materials continuously drives industrial changes,giving rise to a new wave of global scientific and technological *** plays a significant role in the field of materials research and industry,however,the increasing prominence of key strategic materials being controlled by external forces has become a bottleneck issue that hinders national economic and social development as well as national security.

关键词： hinder continuously forces

Celebrating 40 Years of Chemical Research in Chinese Universities

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Chemical Research in Chinese Universities 2024年第4期40卷 561-563页

作者： YU Jihong WANG dan State Key Laboratory of Inorganic Synthesis and Preparative Chemistry International Center of Future ScienceJilin UniversityChangchun 130012P.R.China State Key Laboratory of Biochemical Engineering Key Laboratory of Biopharmaceutical Preparation and DeliveryInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190P.R.China

Chemical Research in Chinese Universities was founded in 1984 as a comprehensive academic journal in the field of *** has since become a repository of intellectual treasures,documenting the evolving landscape of chemical science within the academic *** the past 40 years,Chemical Research in Chinese Universities has witnessed the rapid development of chemical research in universities.

关键词： chemistry. landscape journal

Multi-Stream Temporally Enhanced Network for Video Salient Object Detection

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Computers, Materials & Continua 2024年第1期78卷 85-104页

作者： dan Xu Jiale Ru Jinlong Shi School of Computer Science Jiangsu University of Science and TechnologyZhenjiang212100China

Video salient object detection(VSOD)aims at locating the most attractive objects in a video by exploring the spatial and temporal *** poses a challenging task in computer vision,as it involves processing complex spatial data that is also influenced by temporal *** the progress made in existing VSOD models,they still struggle in scenes of great background diversity within and between ***,they encounter difficulties related to accumulated noise and high time consumption during the extraction of temporal features over a long-term *** propose a multi-stream temporal enhanced network(MSTENet)to address these *** investigates saliency cues collaboration in the spatial domain with a multi-stream structure to deal with the great background diversity challenge.A straightforward,yet efficient approach for temporal feature extraction is developed to avoid the accumulative noises and reduce time *** distinction between MSTENet and other VSOD methods stems from its incorporation of both foreground supervision and background supervision,facilitating enhanced extraction of collaborative saliency *** notable differentiation is the innovative integration of spatial and temporal features,wherein the temporal module is integrated into the multi-stream structure,enabling comprehensive spatial-temporal interactions within an end-to-end *** experimental results demonstrate that the proposed method achieves state-of-the-art performance on five benchmark datasets while maintaining a real-time speed of 27 fps(Titan XP).Our code and models are available at https://***/RuJiaLe/MSTENet.

关键词： Video salient object detection deep learning temporally enhanced foreground-background collaboration

Double-stranded DNA-nucleic acid dye complex-sensitized biocatalytic photosynthesis:Base pairing-switched regeneration of nicotinamide cofactor

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Journal of Energy Chemistry 2024年第7期94卷 618-624页

作者： Zhen Dong Yanying Wang dan Li Peng Wu College of Chemistry Sichuan UniversityChengdu 610064SichuanChina Analytical&Testing Centre State Key Laboratory of Hydraulics and Mountain River EngineeringSichuan UniversityChengdu 610064SichuanChina School of Chemistry and Chemical Engineering Henan Normal UniversityXinxiang 453007HenanChina

Photo-biocatalysis,the combination of photosensitization and biocatalysis,is an emerging solution for sunlight-based renewable *** is thus important to develop light antennas with both good light har-vesting and efficient electron ***,the intriguing electrical conductivity of dsDNA and its host effect(for nucleic acid dyes to harvest light)were explored simultaneously to develop a dsDNA-based light antenna for *** SYBR Green I(SG)as the example of the nucleic acid dye,the proposed SG-dsDNA system was found to be capable for visible-light-driven reduced nicotinamide adenine dinucleotide(NADH)regeneration,and the turnover frequency of which(1.35 min^(-1))exceeded most of the existing photocatalytic *** SG can only be hosted by dsDNA,meanwhile dsDNA can be formed through hybridization between single strand DNA and its complementary strand,the pro-posed system adds an extra control of the photocatalytic activity(DNA base pairing-based switch).When integrating the SG-dsDNA system with NADH-dependent horse liver alcohol dehydrogenase(HLADH),successful synthesis of 2-phenylpropanol(a crucial intermediates of profens manufacturing)was achieved.

关键词： Photosynthesis dsDNA SYBRGreenI TICT 2-phenylpropanol

Application of a microscopic optical potential of chiral effective field theory in (p, d) transfer reactions

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Nuclear Science and Techniques 2024年第1期35卷 134-144页

作者： Yi-Ping Xu Si-Lu Chen dan-Yang Pang School of Nuclear Science and Engineering North China Electric Power UniversityBeijing 102206China School of Physics Beihang UniversityBeijing 100191China

The microscopic global nucleon–nucleus optical model potential(OMP)proposed by Whitehead,Lim,and Holt,the WLH potential(Whitehead et al.,Phys Rev Lett 127:182502,2021),which was constructed in the framework of many-body per-turbation theory with state-of-the-art nuclear interactions from chiral effective field theory(EFT),was tested with(p,d)transfer reactions calculated using adiabatic wave *** target nuclei included both stable and unstable nuclei,and the incident energies reached 200 *** results were compared with experimental data and predictions using the phenomenological global optical potential of Koning and Delaroche,the KD02 ***,we found that the micro-scopic WLH potential described the(p,d)reaction angular distributions similarly to the phenomenological KD02 potential;however,the former was slightly better than the latter for radioactive *** average,the obtained spectroscopic factors(SFs)using both microscopic and phenomenological potentials were similar when the incident energies were below approxi-mately 120 ***,their difference tended to increase at higher incident energies,which was particularly apparent for the doubly magic target nucleus 40Ca.

关键词： Microscopic optical model potential (p,d)transfer Spectroscopic factors