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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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Impact of Fiber Dispersion on Performance of Entanglement-Based Dispersive Optics Quantum Key Distribution

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Journal of Electronic Science and Technology 2021年第4期19卷 297-307页

作者： jing-yuan liu Xu liu Wei Zhang Yi-Dong Huang with the Department of Electronic Engineering Tsinghua UniversityBeijing 100084 with the Beijing National Research Center for Information Science and Technology Tsinghua UniversityBeijing 100084 with the Beijing Innovation Center for Future Chips Tsinghua UniversityBeijing 100084 with Frontier Science Center for Quantum Information Beijing 100084 with Beijing Academy of Quantum Information Sciences Beijing 100193

Dispersive optics quantum key distribution(DO-QKD)based on energy-time entangled photon pairs is an important QKD *** DO-QKD,the arrival time of photons is used in key generation and security analysis,which would be greatly affected by fiber *** this work,we establish a theoretical model of the entanglement-based DO-QKD system,considering the protocol,physical processes(such as fiber transmission and single-photon detection),and the analysis of security *** on this theoretical model,we investigate the influence of chromatic dispersion introduced by transmission fibers on the performance of *** analyzing the benefits and costs of dispersion compensation,the system performance under G.652 and G.655 optical fibers are shown,*** results show that dispersion compensation is unnecessary for DO-QKD systems in campus networks and even metro ***,it is still required in DO-QKD systems with longer fiber transmission distances.

关键词： Dispersion compensation dispersive optics quantum key distribution(DO-QKD) fiber chromatic dispersion quantum networks.

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Integrate Omics Data and Molecular Dynamics Simulations toward Better Understanding of Human 14-3-3 Interactomes and Better Drugs for Cancer Therapy

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Journal of Genetics and Genomics 2015年第10期42卷 531-547页

作者： Jo Anne J.Babula jing-yuan liu Department of Pharmacology and Toxicology Indiana University School of Medicine Department of Computer and Information Science Indiana University Purdue University Indianapolis

The 14-3-3 protein family is among the most extensively studied, yet still largely mysterious protein families in mammals to date. As they are well recognized for their roles in apoptosis, cell cycle regulation, and proliferation in healthy cells, aberrant 14-3-3 expression has unsurprisingly emerged as instrumentalin the development of many cancers and in prognosis. Interestingly, while the seven known 14-3-3 isoforms in humans have many similar functions across cell types, evidence of isoform-specific functions and localization has been observed in both healthy and diseased cells The strikingly high similarity among 14-3-3 isoforms has made it difficult to delineate isoform-specific functions and for isoform-specific targeting. Here, we review our knowledge of 14-3-3 interactome（s） generated by high- throughput techniques, bioinformatics, structural genomics and chemical genornics and point out that integrating the information with molecular dynamics （MD） simulations may bring us new opportunity to the design of isoform-specific inhibitors, which can not only be used as powerful research tools for delineating distinct interactomes of individual 14-3-3 isoforms, but also can serve as potential new anti-cancer drugs that selectively target aberrant 14-3-3 isoform.

关键词： Interactome Chemical genomics Structural genomics Molecular dynamics simulation

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Acute fatty liver of pregnancy:Over six months follow-up study of twenty-five patients

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World Journal of Gastroenterology 2015年第6期21卷 1927-1931页

作者： Hao-Feng Xiong jing-yuan liu Li-Min Guo Xing-Wang Li Intensive Care Unit Beijing Ditan Hospital Capital Medical University The Center of Infectious Diseases Beijing Ditan Hospital Capital Medical University

AIM:To evaluate the prognosis of patients with acute fatty liver of pregnancy(AFLP)6 mo or longer after ***:The records of pregnant patients diagnosed with AFLP at Beijing Ditan Hospital over a 16-year period were reviewed in November *** weremonitored using abdominal ultrasound,liver and kidney functions,and routine blood ***:A total of 42 patients were diagnosed with AFLP during the study period,and 25 were *** mean follow-up duration was 54.5 mo(range:6.5-181 mo).All patients were in good physical condition,but one patient had gestational *** renal and liver functions normalized in all patients after recovery,including in those with pre-existing liver or kidney *** ultrasound findings were normal in12 patients,an increasingly coarsened echo-pattern and increased echogenicity of the liver in 10 patients,and mild to moderate fatty liver infiltration in 3 *** or liver nodules were not observed in any ***:Acute liver failure and acute renal failure in AFLP patients is *** do not require any specific long-term follow-up after recovery from AFLP if their liver function tests have normalized and they remain well.

关键词： Acute fatty liver of pregnancy Acute liver failure

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Extracorporeal membrane oxygenation in curing a young man after modified Fontan operation:A case report

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World Journal of Clinical Cases 2022年第29期10卷 10614-10621页

作者： He-Bing Guo Jian-Bo Tan Yong-Chao Cui Hao-Feng Xiong Chuan-Sheng Li Yu-Feng liu Yao Sun Lin Pu Pan Xiang Ming Zhang jing-jing Hao Ning-Ning Yin Xiao-Tong Hou jing-yuan liu Department of Critical Care Medicine Beijing Ditan HospitalCapital Medical UniversityBeijing 100015China Center for Cardiac Intensive Care Beijing Anzhen HospitalCapital Medical UniversityBeijing 100029China

BACKGROUND The Fontan operation is the only treatment option to change the anatomy of the heart and help improve patients’ *** successful operation,patients typically recover the ability to engage in general physical *** a better ventilatory strategy,extracorporeal membrane oxygenation(ECMO) provides gas exchange via an extracorporeal circuit,and is increasingly being used to improve respiratory and circulatory *** the modified Fontan operation,circulation is different from that of patients who are not subjected to the *** paper describe a successful case using ECMO in curing influenza A infection in a young man,who was diagnosed with Tausing-Bing syndrome and underwent Fontan operation 13 years *** special cardiac structure and circulatory characteristics are explored in this *** SUMMARY We report a successful case using ECMO in curing influenza A infection in a 23-year-old man,who was diagnosed with Tausing-Bing syndrome and underwent Fontan operation 13 years *** man was admitted to the intensive care unit with severe acute respiratory distress syndrome as a result of influenza A *** was initially treated by veno-venous(VV) ECMO,which was switched to veno-venous-arterial ECMO(VVA ECMO) 5 d *** circulation and respiratory function gradually improved,the VVA ECMO equipment was removed on May 1,*** patient was successfully withdrawn from artificial ventilation on May 28,2018 and then discharged from hospital on May 30,*** After the modified Fontan operation,circulation is different compared with that of patients who are not subjected to the *** are certainly many differences between them when they receive the treatment of *** to the special cardiac structure and circulatory characteristics,an individualized liquid management strategy is necessary and it might be better for them to choose an active circulation support earlier.

关键词： Acute respiratory distress syndrome Extracorporeal membrane oxygenation Modified Fontan operation Tausing-Bing syndrome Case report

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Anions Distorting Triggering Ferroelectricity in a Molecular Crystal

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Chinese Journal of Chemistry 2022年第18期40卷 2226-2231页

作者： Si-Yu Ye jing-yuan liu Liang Tong Yan-Ning Wang Min Wan Abraham Mensah Xiao-Fan Jiang Jun-Yi Li Li-Zhuang Chen School of Environmental and Chemical Engineering Jiangsu University of Science and TechnologyZhenjiangJiangsu212003 China College of Chemistry Key Laboratory of Theoretical&Computational Photochemistry of Ministry of EducationBeijing Normal UniversityBeijing100875 China

Recently,molecular ferroelectrics have attracted more and more attention due to their structural diversity,low cost of manufacture,and environmental-friendly ***,most of the design strategies for molecular ferroelectrics have focused on the selection and modification of cations,and the use of anions has been rarely ***,introducing distorted[CuBr_(4)]^(2-) tetrahedra,we obtained a high curie temperature(T_(c))ferroelectric,[cyclopentylammonium]_(2)CuBr_(4),with a T_(c) as high as 393 K,and exceeding commercial and most of reported molecular ferroelectric BaTiO_(3)(393 K).Variable-temperature hysteresis loop shows the nonlinear P-E loop of the crystal under a wide temperature ***-temperature single-crystal X-ray diffraction revealed that the Aizu expression can be written as *** short,this work will inspire more creative strategies by exploiting the tunability of the anion module.

关键词： Molecular ferroelastic Anions Design strategy Organic-inorganic hybrid composites Phase transitions

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FUBP3 mediates the amyloid-β-induced neuronal NLRP3 expression

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Neural Regeneration Research 2025年第7期20卷 2068-2083页

作者： jing Yao yuan Li Xi liu Wenping Liang Yu Li Liyong Wu Zhe Wang Weihong Song The National Clinical Research Center for Geriatric Disease Xuanwu HospitalCapital Medical UniversityBeijingChina Department of Neurology The First Affiliated Hospital of Zhengzhou UniversityZhengzhouHenan ProvinceChina Department of Neurosurgery Xuanwu HospitalCapital Medical UniversityBeijingChina Department of Pediatrics The Second Affiliated Hospital and Yuying Children’s HospitalKey Laboratory of Alzheimer’s Disease of Zhejiang ProvinceInstitute of AgingWenzhou Medical UniversityWenzhouZhejiang ProvinceChina Oujiang Laboratory(Zhejiang Laboratory for Regenerative Medicine Visionand Brain Health)WenzhouZhejiang ProvinceChina

Alzheimer's disease is characterized by deposition of amyloid-β,which forms extracellular neuritic plaques,and accumulation of hyperphosphorylated tau,which aggregates to form intraneuronal neurofibrillary tangles,in the *** NLRP3 inflammasome may play a role in the transition from amyloid-βdeposition to tau phosphorylation and *** NLRP3 is primarily found in brain microglia,and tau is predominantly located in neurons,it has been suggested that NLRP3 expressed by microglia indirectly triggers tau phosphorylation by upregulating the expression of pro-inflammatory ***,we found that neurons also express NLRP3 in vitro and in vivo,and that neuronal NLRP3 regulates tau *** biochemical methods,we mapped the minimal NLRP3 promoter and identified FUBP3 as a transcription factor regulating NLRP3 expression in *** primary neurons and the neuroblastoma cell line Neuro2A,FUBP3 is required for endogenous NLRP3 expression and tau phosphorylation only when amyloid-βis *** the brains of aged wild-type mice and a mouse model of Alzheimer's disease,FUBP3 expression was markedly increased in cortical *** analysis suggested that FUBP3 plays a role in neuron-mediated immune *** also found that FUBP3 trimmed the 5′end of DNA fragments that it bound,implying that FUBP3 functions in stress-induced *** findings suggest that neuronal NLRP3 may be more directly involved in the amyloid-β-to–phospho-tau transition than microglial NLRP3,and that amyloid-βfundamentally alters the regulatory mechanism of NLRP3 expression in *** that FUBP3 was only expressed at low levels in young wild-type mice and was strongly upregulated in the brains of aged mice and Alzheimer's disease mice,FUBP3 could be a safe therapeutic target for preventing Alzheimer's disease progression.

关键词： 5′end trimming Alzheimer's disease amyloid-beta amyloid-β-dependent transcription FUBP3 inflammasome inflammation neuron NLRP3 tau transcription factor

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Applications of in-situ solid-state nuclear magnetic resonance in methanol to olefins reaction

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Science China Chemistry 2025年第1期68卷 134-151页

作者： jing Niu Shutao Xu Yingxu Wei Zhongmin liu National Engineering Research Center of Lower-Carbon Catalysis Technology Dalian Institute of Chemical PhysicsChinese Academy of Sciences State Key Laboratory of Catalysis Dalian Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences

The methanol-to-olefins（MTO） reaction offers an alternative pathway for the production of low-carbon olefins from non-oil feedstocks. Fundamental research has been impeded by a lack of comprehensive understanding of its underlying mechanism,despite the significant progress made in industry. In-situ solid-state nuclear magnetic resonance（ss NMR） spectroscopy has emerged as a pivotal tool, offering crucial insights into key species under real-time operando conditions. Furthermore, the host–guest interaction between zeolites or surface species residing on zeolites and the reactant/active intermediates is revealed by the combination of in-situ13C MAS NMR and 2D correlation spectroscopy. Moreover, recent technological advancements in hyperpolarization（HP） methods, including HP129Xe NMR and dynamic nuclear polarization（DNP）, have significantly improved the sensitivity of ss NMR, enabling detailed structural and kinetic analysis as well as the detection of trace species. In this feature article, we summarized recent advancements in（in-situ） ss NMR spectroscopy applied to MTO reaction processes,encompassing mechanistic investigations at various stages and the intricate host–guest interactions. These theoretical insights into the dynamic evolution of MTO reactions lay a solid foundation for the optimization of catalytic processes and the development of efficient catalysts, thereby advancing the techniques towards more sustainable and economical production route for olefins.

关键词： MTO zeolites in-situ ssNMR reactive intermediates reaction mechanism

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Highly conductive and stable iodine doped argyrodite electrolyte for all-solid-state lithium batteries

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Journal of Energy Chemistry 2025年第1期100卷 50-58页

作者： Gaozhan liu jing Zhang jing Yang jinghui Chen Xingyue Xiao Xiayin Yao Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences

Lithium argyrodites with high ionic conductivity and low cost are considered as one of the most prospective solid electrolytes for all-solid-state lithium ***,the poor chemical stability and compatibility with lithium metal limit their ***,Li5.4PS4.4Cl1.4I0.2solid electrolyte with high ionic conductivity of 11.49 m S cm-1and improved chemical stability is synthesized by iodine *** ultra-thin Li5.4PS4.4Cl1.4I0.2membrane with thickness of 10μm can be obtained by wet coating process,exhibiting a high ionic conductivity of 2.09 mS cm-1and low areal resistance of 1.17Ω***,iodine doping could in-situ form LiI at the lithium/electrolyte interface and improve the critical current density of Li5.4PS4.4Cl1.6from 0.8 to 1.35 mA *** resultant LiCoO2/Li5.4PS4.4Cl1.4I0.2/Li battery shows excellent cycling stability at 1 C,with a reversible specific capacity of 110.1 mA h g-1and a retention of 80.5% after 1000 *** addition,the assembled LiCoO2/Li5.4PS4.4Cl1.4I0.2membrane/Li pouch cell delivers an initial discharge capacity of 110.4 mA h g-1and 80.5% capacity retention after 100 cycles.

关键词： Solid-State Batteries

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Acute Onset Pancreatitis in the Third Trimester of Pregnancy in HBV Carrier Women Taking Telbivudine for Blocking Mother-to-Infant Transmission

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国际感染病学（电子版） 2014年第1期3卷 38-41页

作者： Hao-feng Xiong jing-yuan liu Hao-dong Cai Jun Cheng ICU Beijing Ditan Hospital Capital Medical University Hepatology clinic Beijing Ditan Hospital Capital Medical University

Acute pancreatitis in pregnancy(APIP) is rare and the reasons for APIP are biliary disease and congenital or acquired hypertriglyceridemia, which could occur during any trimester but more than 50% cases happened during the third trimester. In this report, one case of a young pregnant woman, a HBV carrier in her 37 th week + 5 d of gestation, was admitted to Emergency Department due to acute abdominal pain, vomiting and diarrhea. The patient was in antiretroviral treatment with telbivudine from 28 weeks of gestation to prevent motherto-child transmission of HBV. Laboratory tests demonstrated hypertriglyceridemia, abdominal computed tomography scan revealed peripancreatic edema. Hyperlipidemic pancreatitits was primary diagnosed and the patient was admitted to the intensive care unit. Considering the possible role in the pathogenesis of pancreatitis, telbivudine was interrupted after birth giving. After supportive treatment, her condition gradually improved. Since it is the first description of APIP during treatment with telbivudine, the association between pregnancy, hyperlipidemia, telbivudine and acute pancreatitis has been well investigated.

关键词： Acute pancreatitis Pregnancy HBV carrier Hyperlipidemia Telbivudine

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