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Impact of Carbon Chain Structures in the Backbone on the Flexibility of Modified Polyarylene Sulfide Resins: Molecular Dynamics Simulations and Mesoscopic Analysis

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Chinese Journal of Polymer Science 2024年第4期42卷 544-557页

作者： Chi Zhang Rong liu jing-yuan.liu Wen-Wei Jiang Key Laboratory of Fine Chemical Engineering and Functional Materials School of Chemical EngineeringSichuan UniversityChengdu610065China

In the domain of high-performance engineering polymers, the enhancement of mechanical flexibility in poly(phenylene sulfide) (PPS) resins has long posed a significant challenge. A novel molecular structure, designated as PP-He-IS, wherein imide rings and an aliphatic hexylene chain are covalently incorporated into the PPS backbone to enhance its flexibility, is introduced in this study. Molecular dynamics (MD) simulations are employed to systematically explore the effects of diversifying the backbone chain structures by substituting phenyl units with alkyl chains of varying lengths, referred to as PP-A-IS where “A” signifies the distinct intermediary alkyl chain configurations. Computational analyses reveal a discernable decrement in the glass transition temperature (Tg) and elastic modulus, counterbalanced by an increment in yield strength as the alkyl chain length is extended. Notably, the PP-He-IS variant is shown to exhibit superior yield strength while simultaneously maintaining reduced elastic modulus and Tg values, positioning it as an advantageous candidate for flexible PPS applications. Mesoscopic analyses further indicate that structures such as PP-He-IS, PP-Pe-IS, and PP-Bu-IS manifest remarkable flexibility, attributable to the presence of freely rotatable carbon-carbon single bonds. Experimental validation confirms that a melting temperature of 504 K which is lower than that of conventional PPS, and lower crystallinity are exhibited by PP-He-IS, thereby affording enhanced processability without compromising inherent thermal stability. Novel insights into the strategic modification of PPS for mechanical flexibility are thus furnished by this study, which also accentuates the pivotal role played by molecular dynamics simulations in spearheading high-throughput investigations in polymer material modifications.

关键词： Molecular dynamics simulations Polyarylene Sulfide Main-chain modifications Flexibility Aliphatic hexylene chain

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Development of sustainable and efficient recycling technology for spent Li-ion batteries: Traditional and transformation go hand in hand

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Green Energy & Environment 2024年第5期9卷 802-830页

作者： Zejian liu Gongqi liu Leilei Cheng jing Gu Haoran yuan Yong Chen Yufeng Wu Guangzhou Institute of Energy Conversion Chinese Academy of Sciences(CAS)Guangzhou510640China School of Engineering Science University of Science and Technology of ChinaHefei230026China Guangdong Provincial Key Laboratory of New and Renewable Energy Research and Development Guangzhou510640China Faculty of Materials and Manufacturing Beijing University of TechnologyBeijing100124China

Clean and efﬁcient recycling of spent lithium-ion batteries(LIBs)has become an urgent need to promote sustainable and rapid development of human ***,we provide a critical and comprehensive overview of the various technologies for recycling spent LIBs,starting with lithium-ion power *** research on raw material collection,metallurgical recovery,separation and puriﬁcation is highlighted,particularly in terms of all aspects of economic efﬁciency,energy consumption,technology transformation and policy *** and pathways for transformative full-component recovery of spent LIBs are explored,revealing a clean and efﬁcient closed-loop recovery *** methods are proposed for future recycling technologies,with a focus on how future research directions can be ***,based on life-cycle assessment,the challenges of future recycling are revealed from the LIBs supply chain and stability of the supply chain of the new energy battery industry to provide an outlook on clean and efﬁcient short process recycling *** work is designed to support the sustainable development of the new energy power industry,to help meet the needs of global decarbonization strategies and to respond to the major needs of industrialized recycling.

关键词： Spent LIBs Transformative recycling LCA analysis Policy guidance High value utilization

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Cellular strategies to induce immune tolerance after liver transplantation:Clinical perspectives

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World Journal of Gastroenterology 2024年第13期30卷 1791-1800页

作者： Ai-Wei Zhou jing Jin yuan.liu Department of Liver Surgery Renji Hospital Affiliated to Shanghai Jiao Tong University School of MedicineShanghai 200127China Department of Nursing Renji Hospital Affiliated to Shanghai Jiao Tong University School of MedicineShanghai 200127China Department of Liver Transplantation Shanghai Immune Therapy InstituteShanghai 200127China

Liver transplantation(LT)has become the most efficient treatment for pediatric and adult end-stage liver disease and the survival time after transplantation is becoming longer due to the development of surgical techniques and perioperative ***,long-term side-effects of immunosuppressants,like infection,metabolic disorders and malignant tumor are gaining more *** tolerance is the status in which LT recipients no longer need to take any immunosuppressants,but the liver function and intrahepatic histology maintain *** approaches to achieve immune tolerance after transplantation include spontaneous,operational and induced *** first two means require no specific intervention but withdrawing immunosuppressant gradually during *** clinical factors or biomarkers so far could accurately predict who are suitable for immunosuppressant withdraw after *** the understanding to the underlying mechanisms of immune tolerance,many strategies have been developed to induce tolerance in LT *** strategy is one of the most promising methods for immune tolerance induction,including chimerism induced by hematopoietic stem cells and adoptive transfer of regulatory immune *** safety and efficacy of various cell products have been evaluated by prospective preclinical and clinical trials,while obstacles still exist before translating into clinical ***,we will summarize the latest perspectives and concerns on the clinical application of cellular strategies in LT recipients.

关键词： Cellular therapy Induced tolerance Liver transplantation Regulatory T cells Regulatory dendritic cells

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Surface reconstruction of heterostructures in alkaline medium towards enhanced electrocatalytic hydrogen evolution

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Rare Metals 2024年第6期43卷 2636-2647页

作者： Ming-Yang Yang Ji yuan Xue-Lian Fu jing-jing Chen jing Hu Zhou-Guang Lu Chen liu Guangdong Research Center for Interfacial Engineering of Functional Materials Shenzhen Key Laboratory of Polymer Science and TechnologyShenzhen Key Laboratory of Energy Electrocatalytic MaterialsCollege of Materials Science and EngineeringShenzhen UniversityShenzhen 518060China Shenzhen Key Laboratory of Interfacial Science and Engineering of Materials Department of Materials Science and EngineeringSouthern University of Science and TechnologyShenzhen 518055China

Constructing heterostructures has proved to be a successful strategy to fabricate electrocatalysts with high efficiency for water ***,the structure evolution in alkaline hydrogen evolution reaction lacks investigation and the specific active center remains ***,we take the well-designed Ni_(3)S_(2)@VO_(2) heterostructures as a model to investigate the electrocatalytic activity and the surface reconstruction process of heterostructure catalysts in alkaline *** Ni_(3)S_(2)@VO_(2) heterostructures,with Ni_(3)S_(2) nanorods as the core and VO_(2) nanoflakes as the shell,coupled with the high conductive Ni_(3)S_(2),the hydrophilic VO_(2) and modulated electronic structures at the interfaces,exhibited prominent activity and superior stability at various current ***,the ex-situ characterizations confirmed that the surface reconstruction from Ni_(3)S_(2)@VO_(2) into Ni_(3)S_(2)@amorphous-Ni(OH)_(2) in alkaline media could optimize the water dissociation barrier and exposed large active area,thereby contributing to improved electrocatalytic *** study not only introduces novel high-performance electrocatalysts for hydrogen evolution reaction(HER),but also provides a new avenue for re-examining hetero-structural catalysts in alkaline solutions.

关键词： Heterostructures Ni_(3)S_(2)@VO_(2) Surface reconstruction Water dissociation Alkaline hydrogen evolution

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Predicting submerged vegetation drag with a machine learning-based method

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Journal of Hydrodynamics 2024年第3期36卷 534-545页

作者： Meng-yang liu Hong-wu Tang Sai-yu yuan jing Yan College of Water Conservancy and Hydropower Engineering Hohai UniversityNanjing210098China Key Laboratory of Hydrologic-Cycle and Hydrodynamic-System of Ministry of Water Resources Hohai UniversityNanjing210098China

Accurate estimation of the drag forces generated by vegetation stems is crucial for the comprehensive assessment of the impact of aquatic vegetation on hydrodynamic processes in aquatic *** coupling relationship between vegetation layer flow velocity and vegetation drag makes precise prediction of submerged vegetation drag forces particularly *** present study utilized published data on submerged vegetation drag force measurements and employed a genetic programming(GP)algorithm,a machine learning technique,to establish the connection between submerged vegetation drag forces and flow and vegetation *** using the bulk velocity,U,as the reference velocity scale to define the drag coefficient,C_(d),and stem Reynolds number,the GP runs revealed that the drag coefficient of submerged vegetation is related to submergence ratio(H^(*)),aspect ratio(d^(*)),blockage ratio(ψ^(*)),and vegetation density(λ).The relation between vegetation stem drag forces and flow velocity is implicitly embedded in the definition of C_(d).Comparisons with experimental drag force measurements indicate that using the bulk velocity as the reference velocity,as opposed to using the vegetation layer average velocity,U_(v),eliminates the need for complex iterative processes to estimate U_(v)and avoids introducing additional errors associated with U_(v)*** approach significantly enhances the model’s predictive capabilities and results in a simpler and more user-friendly formula expression.

关键词： Drag coefficient genetic programming algorithm submerged vegetation flow resistance cylinder array

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Robust zero-watermarking algorithm based on discrete wavelet transform and daisy descriptors for encrypted medical image

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CAAI Transactions on Intelligence Technology 2024年第1期9卷 40-53页

作者： Yiyi yuan jingbing Li jing liu Uzair Aslam Bhatti Zilong liu Yen-wei Chen School of Information and Communication Engineering Hainan UniversityHaikouChina Research Center for Healthcare Data Science Zhejiang LabHangzhouChina Graduate School of Information Science and Engineering Ritsumeikan University ShigaJapan

In the intricate network environment,the secure transmission of medical images faces challenges such as information leakage and malicious tampering,significantly impacting the accuracy of disease diagnoses by medical *** address this problem,the authors propose a robust feature watermarking algorithm for encrypted medical images based on multi-stage discrete wavelet transform(DWT),Daisy descriptor,and discrete cosine transform(DCT).The algorithm initially encrypts the original medical image through DWT-DCT and Logistic ***,a 3-stage DWT transformation is applied to the encrypted medical image,with the centre point of the LL3 sub-band within its low-frequency component serving as the sampling *** Daisy descriptor matrix for this point is then ***,a DCT transformation is performed on the Daisy descriptor matrix,and the low-frequency portion is processed using the perceptual hashing algorithm to generate a 32-bit binary feature vector for the medical *** scheme utilises cryptographic knowledge and zero-watermarking technique to embed watermarks without modifying medical images and can extract the watermark from test images without the original image,which meets the basic re-quirements of medical image *** embedding and extraction of water-marks are accomplished in a mere 0.160 and 0.411s,respectively,with minimal computational *** results demonstrate the robustness of the algorithm against both conventional attacks and geometric attacks,with a notable performance in resisting rotation attacks.

关键词： daisy descriptor DCT DWT encryption domain medical image zero-watermarking

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Prospective life cycle assessment of CO2 conversion by photocatalytic reaction

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Green Chemical Engineering 2024年第3期5卷 383-389页

作者： Jun-Qi Wang Xiang-Jun liu jing-jing Ma Shuai Zhang Hao-Ran liu Yong-Li Dong Qing-yuan Yang School of Human Settlements and Civil Engineering Xi'an Jiaotong University School of Chemical Engineering and Technology Xi'an Jiaotong University

CO2conversion is gradually seen as a better way for society to effectively use carbon sources and avoid climate crisis associated with fossil CO2emissions. And the decision to deploy CO2technology scale should be relied on its environmental impact. In this work, life cycle assessment model evaluates the environmental performance of CO2conversion by photocatalytic reaction process with two different catalysts（NiAl-LDH and Co-ZIF-9）. Six impact categories considered in this analysis, including climate change, acidification potential, depletion of abiotic resources, eutrophication potential, ozone layer depletion potential, and photochemical oxidation potential. Results indicated that CO2conversion with Co-ZIF-9 photocatalyst has a better environmental impact than the NiAl-LDH photocatalyst route. Moreover, the Co-ZIF-9 catalyst scenario also has a lower total environmental burden than the conventional CO production route. Sensitivity analysis shows that recycle performance of the catalyst is highly sensitive to the production process in two scenarios. This study could provide a framework for robust decisions in CO2conversion by photocatalytic reaction, which is useful for policymakers to decide the feasibility of industrialization.

关键词： Life cycle assessment (LCA) CO 2 Photocatalytic reaction Sensitivity analysis Uncertainty analysis

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Selective photosynthesis of Z-olefins through crystalline metal-organic cage-initiated expeditious cascade reactions

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Carbon Energy 2024年第3期6卷 118-131页

作者： Jia-Ni Lu Yunze Huang yuan-Sheng Xia Long-Zhang Dong Lei Zhang jing-jing liu Lan-Gui Xie Jiang liu Ya-Qian Lan Jiangsu Key Laboratory of New Power Batteries School of Chemistry and Materials ScienceJiangsu Collaborative Innovation Centre of Biomedical Functional MaterialsNanjing Normal UniversityNanjingChina School of Chemistry South China Normal UniversityGuangzhouChina

The semi-hydrogenation of alkyne to form Z-olefins with high conversion and high selectivity is still a huge challenge in the chemical ***,flammable and explosive hydrogen as the common hydrogen source of this reaction increases the cost and danger of industrial ***,we connect the photocatalytic hydrogen evolution reaction and the semihydrogenation reaction of alkynes in series and successfully realize the high selective production of Z-alkenes using low-cost,safe,and green water as the proton *** the cascade reaction,a series of isomorphic metal–organic cage catalysts(Co_(x)Zn_(8−x)L_(6),x=0,3,4,5,and 8)are designed and synthesized to improve the yield of the photocatalytic hydrogen *** them,Co_(5)Zn_(3)L_(6) shows the highest photocatalytic activity,with a H_(2) generation rate of 8.81 mmol g^(−1) h^(−1).Then,Co_(5)Zn_(3)L_(6) is further applied in the above tandem reaction to efficiently reduce alkynes to Z-alkenes under ambient conditions,which can reach high conversion of>98%and high selectivity of>99%,and maintain original catalytic activity after multiple ***“one-pot”tandem reaction can achieve a highly selective and safe stepwise conversion from water into hydrogen into Z-olefins under mild reaction conditions.

关键词： alkyne semi-hydrogenation hydrogen evolution reaction metal-organic cages photocatalysis Z-olefins

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Nature-inspired design of droplet-synthesized polymeric nanoelectrode for photoelectrochemical microRNA sensing within single cells

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Science Bulletin 2024年第2期69卷 159-162页

作者： Si-yuan Yu Yi-Li liu Zheng Li Dechen Jiang jing-Juan Xu Hong-yuan Chen Wei-Wei Zhao State Key Laboratory of Analytical Chemistry for Life Science School of Chemistry and Chemical EngineeringNanjing UniversityNanjing 210023China

Nanoelectrodes have been shown to be powerful tools for nanoscopic research on single entities,deepening the understanding of heterogeneity and stochastics for single molecules,nanoparticles and cells[1–3].However,despite their importance,current nanoelectrode preparations are highly restrained to flame/electrochemical etching,metal sputtering,electrochemical deposition,etc.[3],resulting in a limited range of materials(mainly gold,platinum and carbon)for potential-resolved detection of redox-active species(Table S1 online).The enrichment of preparation methods to introduce novel materials and mechanisms should prove significant for the development of nanoelectrodes.

关键词： electrode deepening restrained

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A deep learning model based on contrast-enhanced computed tomography for differential diagnosis of gallbladder carcinoma

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Hepatobiliary & Pancreatic Diseases International 2024年第4期23卷 376-384页

作者： Fei Xiang Qing-Tao Meng jing-jing Deng Jie Wang Xiao-yuan Liang Xing-Yu liu Sheng Yan Department of Hepatobiliary Pancreatic Surgery Second Affiliated HospitalZhejiang University School of MedicineHangzhou 310003China Department of Radiology Affiliated Chuzhou First People’s HospitalAnhui Medical UniversityChuzhou 239000China

Background:Gallbladder carcinoma(GBC)is highly malignant,and its early diagnosis remains *** study aimed to develop a deep learning model based on contrast-enhanced computed tomography(CT)images to assist radiologists in identifying ***:We retrospectively enrolled 278 patients with gallbladder lesions(>10 mm)who underwent contrast-enhanced CT and cholecystectomy and divided them into the training(n=194)and validation(n=84)*** deep learning model was developed based on ResNet50 *** and clinical models were built based on support vector machine(SVM)*** comprehensively compared the performance of deep learning,radiomics,clinical models,and three ***:Three radiomics features including LoG_3.0 gray-level size zone matrix zone variance,HHL firstorder kurtosis,and LHL gray-level co-occurrence matrix dependence variance were significantly different between benign gallbladder lesions and GBC,and were selected for developing radiomics *** regression analysis revealed that age≥65 years[odds ratios(OR)=4.4,95%confidence interval(CI):2.1-9.1,P37 U/mL(OR=4.0,95%CI:1.6-10.0,P=0.003)were significant clinical risk factors of *** deep learning model achieved the area under the receiver operating characteristic curve(AUC)values of 0.864(95%CI:0.814-0.915)and 0.857(95%CI:0.773-0.942)in the training and validation datasets,which were comparable with radiomics,clinical models and three *** sensitivity of deep learning model was the highest both in the training[90%(95%CI:82%-96%)]and validation[85%(95%CI:68%-95%)]***:The deep learning model may be a useful tool for radiologists to distinguish between GBC and benign gallbladder lesions.

关键词： Gallbladder carcinoma Computed tomography Deep learning Radiomics

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