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

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

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Application of Optical Hydrogels in Environmental Sensing

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Energy & Environmental Materials 2024年第3期7卷 311-336页

作者： Shuo Yang Shruti Sarkar xing Xie dan Li Jianmin Chen Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention(LAP3) Department of Environmental Science and EngineeringFudan UniversityShanghai 200438China School of Civil and Environmental Engineering Georgia Institute of TechnologyAtlanta Georgia 30332USA

The ever-increasing complexity of environmental pollutants urgently warrants the development of new detection *** based on the optical properties of hydrogels enabling fast and easy in situ detection are attracting increasing *** this paper,the data from 138 papers about different optical hydrogels(OHs)are extracted for statistical *** detection performance and potential of various types of OHs in different environmental pollutant detection scenarios were evaluated and compared to those obtained using the standard detection *** on this analysis,the target recognition and sensing mechanisms of two main types of OHs are reviewed and discussed:photonic crystal hydrogels(PCHs)and fluorescent hydrogels(FHs).For PCHs,the environmental stimulus response,target receptors,inverse opal structures,and molecular imprinting techniques related to PCHs are reviewed and ***,the different types of fluorophores(i.e.,compound probes,biomacromolecules,quantum dots,and luminescent microbes)of FHs are ***,the potential academic research directions to address the challenges of applying and developing OHs in environmental sensing are proposed,including the fusion of various OHs,introduction of the latest technologies in various fields to the construction of OHs,and development of multifunctional sensor arrays.

关键词： environmental sensors fluorescent hydrogel optical hydrogel photonic crystal hydrogel pollution detection

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Predictive model for non-malignant portal vein thrombosis associated with cirrhosis based on inflammatory biomarkers

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World Journal of Gastrointestinal Oncology 2024年第4期16卷 1213-1226页

作者： Guo-Le Nie Jun Yan ying Li Hong-Long Zhang dan-Na Xie xing-Wang Zhu Xun Li The First School of Clinical Medicine Lanzhou UniversityLanzhou 730000Gansu ProvinceChina Department of General Surgery The First Hospital of Lanzhou UniversityLanzhou 730000Gansu ProvinceChina

BACKGROUND Portal vein thrombosis(PVT),a complication of liver cirrhosis,is a major public health *** prediction is the most effective method for PVT diagnosis and *** To develop and validate a nomogram and network calculator based on clinical indicators to predict PVT in patients with *** Patients with cirrhosis hospitalized between January 2016 and December 2021 at the First Hospital of Lanzhou University were screened and 643 patients with cirrhosis who met the eligibility criteria were *** a 1:1 propensity score matching 572 patients with cirrhosis were screened,and relevant clinical data were *** risk factors were identified using the least absolute shrinkage and selection operator(LASSO)and multivariate logistic regression *** inflation factors and correlation matrix plots were used to analyze multicollinearity among the variables.A nomogram was constructed to predict the probability of PVT based on independent risk factors for PVT,and its predictive performance was verified using a receiver operating characteristic curve(ROC),calibration curves,and decision curve analysis(DCA).Finally,a network calculator was constructed based on the *** This study enrolled 286 cirrhosis patients with PVT and 286 without *** analysis revealed 13 variables as strongly associated with PVT *** logistic regression analysis revealed nine indicators as independent PVT risk factors,including etiology,ascites,gastroesophageal varices,platelet count,D-dimer,portal vein diameter,portal vein velocity,aspartate transaminase to neutrophil ratio index,and platelet-to-lymphocyte *** and correlation matrix plot results revealed no significant multicollinearity or correlation among the variables.A nomogram was constructed based on the screened independent risk *** nomogram had excellent predictive performance,with an area under the ROC curve of 0.821 and 0.829 in the

关键词： Portal vein thrombosis Liver cirrhosis Nomogram Inflammatory markers Aspartate aminotransferase to neutrophil ratio index Platelet-to-lymphocyte ratio

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Comment on:Clinical Characteristics,Diagnosis,and Treatments for COVID-19

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Current Medical Science 2024年第3期44卷 667-668页

作者： ying WEN Xin-dan HU Department of Infectious Diseases The First Affiliated Hospital of China Medical UniversityShenyang 110001China

The clinical characteristics of COVID-19 patients have been well summarized by Xie et ***,we should pay attention to another special manifestation of COVID-19,COVID-19-related immune reconstitution inflammatory syndrome(IRIS).SARS-CoV-2,an infectious agent,can alscoause IRIS,similar to Mycobacterium *** the era of the COVID-19 pandemic,increasing cases of COVID-19-related IRIS have been ***,the definition and detailed criteria of COVID-19-related IRIS have not been thoroughly *** should pay attention to 3 essential components in a classical model of IRIS,including a primary disease that causes immunosuppression,a trigger that induces immune reconstitution.

关键词： al. clinical Clinical

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A multiscale adaptive framework based on convolutional neural network: Application to fluid catalytic cracking product yield prediction

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Petroleum Science 2024年第4期21卷 2849-2869页

作者： Nan Liu Chun-Meng Zhu Meng-Xuan Zhang xing-ying Lan State Key Laboratory of Heavy Oil Processing China University of Petroleum (Beijing) College of Artificial Intelligence China University of Petroleum (Beijing)

Since chemical processes are highly non-linear and multiscale, it is vital to deeply mine the multiscale coupling relationships embedded in the massive process data for the prediction and anomaly tracing of crucial process parameters and production indicators. While the integrated method of adaptive signal decomposition combined with time series models could effectively predict process variables, it does have limitations in capturing the high-frequency detail of the operation state when applied to complex chemical processes. In light of this, a novel Multiscale Multi-radius Multi-step Convolutional Neural Network(Msrt Net) is proposed for mining spatiotemporal multiscale information. First, the industrial data from the Fluid Catalytic Cracking(FCC) process decomposition using Complete Ensemble Empirical Mode Decomposition with Adaptive Noise(CEEMdan) extract the multi-energy scale information of the feature subset. Then, convolution kernels with varying stride and padding structures are established to decouple the long-period operation process information encapsulated within the multi-energy scale data. Finally, a reconciliation network is trained to reconstruct the multiscale prediction results and obtain the final output. Msrt Net is initially assessed for its capability to untangle the spatiotemporal multiscale relationships among variables in the Tennessee Eastman Process(TEP). Subsequently, the performance of Msrt Net is evaluated in predicting product yield for a 2.80 × 10～6 t/a FCC unit, taking diesel and gasoline yield as examples. In conclusion, Msrt Net can decouple and effectively extract spatiotemporal multiscale information from chemical process data and achieve a approximately reduction of 30% in prediction error compared to other time-series models. Furthermore, its robustness and transferability underscore its promising potential for broader applications.

关键词： Fluid catalytic cracking Product yield Data-driven modeling Multiscale prediction Data decomposition Convolution neural network

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Relationship of Retinal Nerve Fiber Layer Thickness and Retinal Vessel Calibers with Cognitive Impairment in the Asymptomatic Polyvascular Abnormalities Population

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Biomedical and Environmental Sciences 2024年第2期37卷 196-203页

作者： WANG dan dan WANG An Xin ZHANG Xiao Li WEI Wen Bin WU Shou Ling ZHAO xing Quan Department of Neurology Beijing Tiantan HospitalCapital Medical UniversityBeijing 100070China China National Clinical Research Center for Neurological Diseases Beijing 100070China Beijing Tongren Eye Center Beijing Key Laboratory of Ophthalmology and Visual ScienceBeijing Tongren HospitalCapital Medical UniversityBeijing 100005China Department of Cardiology Kailuan HospitalTangshan 063001HebeiChina

Objective Cognitive impairment(CI)in older individuals has a high morbidity rate worldwide,with poor diagnostic methods and susceptible population *** study aimed to investigate the relationship between different retinal metrics and CI in a particular population,emphasizing polyvascular *** We collected information from the Asymptomatic Polyvascular Abnormalities Community Study on retinal vessel calibers,retinal nerve fiber layer(RNFL)thickness,and cognitive function of 3,785participants,aged 40 years or *** regression was used to analyze the relationship between retinal metrics and cognitive *** stratified by different vascular statuses were also *** RNFL thickness was significantly thinner in the CI group(odds ratio:0.973,95%confidence interval:0.953–0.994).In the subgroup analysis,the difference still existed in the non-intracranial arterial stenosis,non-extracranial carotid arterial stenosis,and peripheral arterial disease subgroups(Pying small vessel change in RNFL and CI should be investigated in the future.

关键词： Retinal nerve fiber layer Cognitive impairment Polyvascular abnormality

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Optimized generation of entanglement based on the f-STIRAP technique

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Communications in Theoretical Physics 2024年第7期76卷 37-43页

作者： Dongni Chen Jiahui Li Stefano Chesi ying-dan Wang Department of Physics Korea UniversitySeoul 02841South Korea School of Quantum Information Future Technology Henan UniversityZhengzhou 450046China Beijing Computational Science Research Center Beijing 100193China Department of Physics Beijing Normal UniversityBeijing 100875China CAS Key Laboratory of Theoretical Physics Institute of Theoretical PhysicsChinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China

We consider generating maximally entangled states(Bell states)between two qubits coupled to a common bosonic mode,based on *** the systematic approach developed by Wang et al(2017 New ***.19093016),we quantify the effects of non-adiabatic leakage and system dissipation on the entanglement generation,and optimize the entanglement by balancing non-adiabatic leakage and system *** find the analytical expressions of the optimal coupling profile,the operation time,and the maximal *** findings have broad applications in quantum state engineering,especially in solid-state devices where dissipative effects cannot be neglected.

关键词： f-STIRAP entanglement optimization perturbation theory

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Microphase Separation of Semiflexible Ring Diblock Copolymers

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Chinese Journal of Polymer Science 2024年第2期42卷 267-276,I0011页

作者： dan-Yan Qin Sheng-Da Zhao Zhi-Xin Liu Jing Zhang xing-Hua Zhang School of Physical Science and Engineering Beijing Jiaotong UniversityBeijing100044China

Aiming at the difficult problem of solving the conformation statistics of complex polymers, this study presents a novel and concise conformation statistics theoretical approach based on Monte Carlo and Neural Network method. This method offers a new research idea for investigating the conformation statistics of complex polymers, characterized by its simplicity and practicality. It can be applied to more complex topological structure, more higher degree of freedom polymer systems with higher dimensions, theory research on dynamic self-consistent field theory and polymer field theory, as well as the analysis of scattering experimental data. The conformation statistics of complex polymers determine the structure and response properties of the system. Using the new method proposed in this study, taking the semiflexible ring diblock copolymer as an example, Monte Carlo simulation is used to sample this ring conformation to construct the dataset of polymer. The structure factor describing conformation statistics are expressed as continuous functions of structure parameters by neural network supervised learning. This is the innovation of this work. As an application, the structure factors represented by neural networks were introduced into the random phase approximation theory to study the microphase separation of semiflexible ring diblock copolymers. The influence of the ring's topological properties on the phase transition behavior was pointed out.

关键词： Ring copolymer Diblock copolymers Semiflexible The order-disorder transition

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Experience of humanistic nursing in hemodialysis nursing for patients with diabetic kidney disease

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World Journal of Diabetes 2024年第2期15卷 186-195页

作者： Xiao-ying Chai Xiao-Yan Bao ying Dai xing-xing Dai Yu Zhang Yu-Ling Yang Department of Nephrology The Affiliated Hospital of Jiangnan UniversityWuxi 214000Jiangsu ProvinceChina Department of Hemodialysis The Affiliated Hospital of Jiangnan UniversityWuxi 214000Jiangsu ProvinceChina Department of Endocrinology The Affiliated Hospital of Jiangnan UniversityWuxi 214000Jiangsu ProvinceChina

BACKGROUND Diabetic kidney disease(DKD)is a prevalent complication of diabetes that often requires hemodialysis for *** the field of nursing,there is a growing recognition of the importance of humanistic care,which focuses on the holistic needs of patients,including their emotional,psychological,and social ***,the application of humanistic nursing in the context of hemodialysis for DKD patients remains relatively *** To explore the experience of humanistic nursing in hemodialysis nursing for DKD *** Ninety-six DKD patients treated with hemodialysis from March 2020 to June 2022 were included in the study and divided into the control cluster(48 cases)and the study cluster(48 cases)according to different nursing methods;the control cluster was given routine nursing and the study cluster was given humanized *** variances of negative emotion mark,blood glucose,renal function,the incidence of complications,life mark and nursing satisfaction before and after nur-sing were contrasted between the two *** No significant difference in negative emotion markers between the two clusters were observed before nursing(P>0.05),and the negative emotion markers of the two clusters decreased after *** Hamilton Anxiety Rating Scale and Hamilton Depression Rating Scale markers were lower in the study cluster than the control *** healing rate of patients in the study cluster was significantly higher than the control cluster(97.92%vs 85.42%,P0.05).However,after nursing,blood urea nitrogen and serum creatinine(SCr)levels in the study cluster were lower than those in the control cluster(P<0.05).The incidence rate of complications was significantly lower in the study group compared to the control cluster(6.25%vs 20.83%,P<0.05).There was no significant difference in the life markers between the two clusters be

关键词： Diabetic kidney disease Hemodialysis Humanistic nursing Incidence of complication Effect

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Superhydrophobic melamine sponge prepared by radiation-induced grafting technology for efficient oil-water separation

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Nuclear Science and Techniques 2024年第9期35卷 103-114页

作者： ying Sun Wen-Rui Wang dan-Yi Li Si-Yi Xu Lin Lin Man-Li Lu Kai Fan Chen-Yang xing Lin-Fan Li Ji-Hao Li Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China University of Chinese Academy of Sciences Beijing 100049China School of Architecture and Materials Chongqing College of Electronic EngineeringChongqing 401331China Center for Stretchable Electronics and NanoSensors Key Laboratory of Optoelectronic Devices and Systems of Ministry of EducationCollege of Physics and Optoelectronic EngineeringShenzhen UniversityShenzhen 518060China

This paper presents a superhydrophobic melamine(ME)sponge(ME-g-PLMA)prepared via high-energy radiation-induced in situ covalent grafting of long-alkyl-chain dodecyl methacrylate(LMA)onto an ME sponge for efficient oil–water *** obtained ME-g-PLMA sponge had an excellent pore structure with superhydrophobic(water contact angle of 154°)and superoleophilic *** can absorb various types of oils up to 66–168 times its *** ME-g-PLMA sponge can continuously separate oil slicks in water by connecting a pump or separating oil underwater with a gravity-driven *** addition,it maintained its highly hydrophobic properties even after long-term immersion in different corrosive solutions and repeated oil *** modified ME-g-PLMA sponge exhibited excellent separation properties and potential for oil spill cleanup.

关键词： Radiation-induced graft polymerization Oil–water separation Sponge Superhydrophobic

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