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Insight into the Urea Binding and K166R Mutation Stabilizing Mechanism of TIpB： Molecular Dynamics and Principal Component Analysis Study

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Chemical Research in Chinese Universities 2014年第6期30卷 1011-1017页

作者： WU Yunjian ZHENG Qingchuan XU Yu CHU Wenting cui Yinglu wang yan ZHANG Hongxing State Key Laboratory of Theoretical and Computational Chemistry Institute of Theoretical Chemistry Jilin University Changchun 130021 P R. China

Chemoreceptor TlpB（Tlp=transducer-like protein）, which has been demonstrated to respond to pH sensing function, is crucial for the survival ofHelicobacterpylori（H, pylori） in host stomach. Urea was proposed to be essen- tial for TlpB＇s pH sensing function via binding with the Per-ARNT-Sim（PAS） domain of TlpB. Additionally, KI66R mutation of the TlpB protein has also been proven to have a similar effect on TlpB pH sensing as urea binding. Al- though X-ray crystallographic studies have been carried out for urea-bound Tlpl3, the molecular mechanism for the stabilization of TIpB induced by urea binding and K166R mutation remains to be elucidated. In this study, molecular dynamics simulations combined with principal component analysis（PCA） for the simulation results were used to gain an insight into the molecular mechanism of the stabilization of urea on TlpB protein. The formed H-bonds and salt-bridges surrounding Aspll4, which were induced by both urea binding and K166R mutation of TIpB, were im- portant to the stabilization of TlpB by urea. The similarity between the urea binding and K166R mutation as well as their differences in effect has been explicitly demonstrated with computer simulations at atomic-level. The findings may Dave the wav for the further researches of TlpB.

关键词： TlpB Per-ARNT-Sim(PAS) domain Molecular dynamics simulation Principal component analysis

Effects of different concentrations of nicotinamide on hematopoietic stem cells cultured in vitro

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World Journal of Stem Cells 2024年第2期16卷 163-175页

作者： yan Ren yan-Ni cui Hong-Wei wang The Second Clinical Medical College Shanxi Medical UniversityTaiyuan 030001Shanxi ProvinceChina Department of Hematology The Second Hospital of Shanxi Medical UniversityTaiyuan 030001Shanxi ProvinceChina Department of Hematology Key Laboratory of Molecular Diagnosis and Treatment of Blood Diseases in Shanxi ProvinceTaiyuan 030001Shanxi ProvinceChina

BACKGROUND In vitro expansion to increase numbers of hematopoietic stem cells(HSCs)in cord blood could improve clinical efficacy of this vital ***(NAM)can promote HSC expansion ex vivo,but its effect on hematopoietic stem and progenitor cells(HSPCs,CD34^(+)CD38)and functional subtypes of HSCs-shortterm repopulating HSCs(ST-HSCs,CD34^(+)CD38CD45RACD49f^(+))and long-term repopulating HSCs(LT-HSCs,CD34^(+)CD38CD45RACD49f^(+)CD90^(+))is not yet *** a sirtuin 1(SIRT1)inhibitor,NAM participates in regulating cell adhesion,polarity,migration,proliferation,and ***,SIRT1 exhibits dual effects by promoting or inhibiting differentiation in different tissues or *** propose that the concentration of NAM may influence proliferation,differentiation,and SIRT1 signaling of *** To evaluate the effects and underlying mechanisms of action of different concentrations of NAM on HSC proliferation and *** CD34^(+)cells were purified from umbilical cord blood using MacsCD34 beads,and cultured for 10-12 d in a serum-free medium supplemented with cytokines,with different concentrations of NAM added according to experimental *** cytometry was used to detect phenotype,cell cycle distribution,and apoptosis of the cultured ***-time polymerase chain reaction was used to detect the transcription levels of target genes encoding stemness-related factors,che mokines,components of hypoxia pathways,and antioxidant ***-dihydro-fluorescein diacetate probes were used to evaluate intracellular production of reactive oxygen species(ROS).Determination of the effect of different culture conditions on the balance of cytokine by cytometric bead *** Compared with the control group,the proportion and expansion folds of HSPCs(CD34^(+)CD38)incubated with 5 mmol/L or 10 mmol/L NAM were significantly increased(all P<0.05).The ST-HSCs ratio and fold expansion of the 5 mmol/L NAM group were significantly

关键词： Hematopoietic stem cells Nicotinamide Concentration Proliferation Differentiation Sirtuin 1

Sono-assembly of folate-decorated curcumins/alginate core-shell microcomplex and its targeted delivery and pH/reduction dual-triggered release

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Particuology 2024年第1期84卷 168-177页

作者： Qingye Meng Shuangling Zhong Jingfei wang Zhenqian Zhang yan Gao Xuejun cui College of Chemistry Jilin University Changchun130012China College of Resources and Environment Jilin Agricultural University Changchun130118China State Key Laboratory of Supramolecular Structure and Materials Jilin UniversityChangchun130012China Weihai Institute for Bionics-Jlin University Weihai264400China

In this study,sodium alginate(SA),a non-toxic natural polysaccharide with good biocompatibility and biodegradability,was developed for targeted delivery of curcumin(CUR)in tumor *** strategy is to sulfhydrylate the folic acid(FA)modified SA,and the CUR dissolved in ethyl acetate(EAC)phase is coated in microcapsules by a quick,efficient and environment-friendly sonochemical *** EAC in the microcapsule core is volatile,which can be recycled and reused to reduce *** prepared mi-crocapsules(FA-RSMCs@CUR)exhibited similar toxicity to free curcumin in anti-tumour evaluation in ***-RSMCs@CUR also exhibited effective antibacterial properties in the antibacterial evaluation in *** is expected to become a low-cost tumor targeting vector in the future,and has the potential to be promoted in clinical application.

关键词： Reductive-responsive Sodium alginate Microcapsule Targeted delivery Sonochemical

Gradient-structure-enhanced dielectric energy storage performance of flexible nanocomposites containing controlled preparation of defective TiO_(2) and ferroelectric KNbO_(3) nanosheets

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Nano Research 2024年第5期17卷 4079-4088页

作者： yan wang Lili Zhao Ruicong Chen Wenhui Zhao Dengwei Hu Haoran wang Bin cui Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education Shaanxi Key Laboratory of Physico–Inorganic Chemistry Xi’an Key Laboratory of Functional Supramolecular Structure and MaterialsCollege of Chemistry and Materials ScienceNorthwest UniversityXi’an 710127China School of Information Science and Technology Northwest UniversityXi’an 710127China Engineering Research Center for Titanium Based Functional Materials and Devices in Universities of Shaanxi Province Faculty of Chemistry and Chemical EngineeringBaoji University of Arts and SciencesBaoji 721013China

Next generation power system needs dielectrics with increased dielectric energy ***,the low energy density of dielectrics limits their ***,an asymmetric trilayered nanocomposite,with a transition layer(TL),an insulation layer(IL),and a polarization layer(PL),is designed based on poly(vinylidene fluoride)-polymethyl methacrylate(PVDF-PMMA)matrix using KNbO_(3)(KN)and TiO_(2)(TO)as the *** morphology and defect control of the two-dimensional nano KN and nano TO fillers are realized via a hydrothermal method to increase the composite breakdown strength(E_(b))and the composite energy density(U_(e)).The asymmetric trilayered structure leads to a gradient electric field distribution,and the KN and TO nanosheets block charges transfer along z *** a result,the development path of the electrical trees is greatly curved,and E_(b) is effectively *** the Ue value of the nanocomposites reaches 17.79 J·cm^(-3) at 523 MV·m^(-1).On the basis,the composite Ue is further improved by defect control in TO *** nanocomposite KN/TO/PVDF-PMMA containing TO with less oxygen vacancy concentration(calcined at oxygen atmosphere)acquires a high Ue of 21.61 J·cm^(-3) at 548 MV·m^(-1).This study provides an idea for improving the energy storage performance by combining the design of the composite dielectric structure and the control of nanofillers’defect and morphology.

关键词： asymmetric trilayered structure two-dimensional energy density oxygen vacancies breakdown strength dielectric

Advances in controlled-release fertilizer encapsulated by organic-inorganic composite membranes

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Particuology 2024年第1期84卷 236-248页

作者： Xueping wang Yongyan yang Shuangling Zhong Qingye Meng Yiwei Li Jia wang yan Gao Xuejun cui College of Chemistry Jilin UniversityChangchun130012China College of Resources and Environment Jilin Agricultural UniversityChangchun130118China State Key Laboratory of Supramolecular Structure and Materials Jilin UniversityChangchun130012China Weihai Institute for Bionics-Jilin University Weihai264400China

Heavy use of conventional fertilizers can lead to negative environmental ***-release fertilizers(CRFs)can effectively reduce the amounts of fertilizers used,improve the availability of fer-tilizers,and which is conducive to the protection of the ecological environment and sustainable devel-opment of ***,it is imperative to develop and use CRFs as an alternative to traditional *** review aims to present the classification,raw material composition,benefits,release process,release mode,and manufacturing methods of fertilizers coated with organic-inorganic com-posite membranes(OICMs)in order to provide an overall update and summarize CRFs encapsulated by OICMs and provide an insight for future trends in the field of *** is expected that utilizing CRFs encapsulated by OICMs and their characteristics for agricultural applications can provide innovative ideas and suggestions for developing novel CRFs suitable for modern and sustainable agriculture.

关键词： Controlled-release fertilizers Organic-inorganic composite membranes Surface treatments

Disastrous effects of climate change on High Mountain Asia

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Advances in Climate Change Research 2024年第3期15卷 365-366页

作者： Peng cui Yao-Ming MA yan wang Bin-Binwang Institute of Geographic Sciences and Natural Resources Research The Chinese Academy of Sciences(CAS)Beijing 100101China Institute of Mountain Hazards and Environment CASChengdu 610041China China-Pakistan Joint Research Center on Earth Sciences CAS-HECIslamabad 45320Pakistan State Key Laboratory of Tibetan Plateau Earth System Environment and Resources(TPESER)Institute of Tibetan Plateau ResearchCASBeijing 100101China

High Mountain Asia(HMA),encompassing the Tibetan Plateau and the surrounding high mountain ranges of the Hindu Kush and Tianshan,is a region characterised by large terrain,complex topography and the interplay of vario... 详细信息

关键词： terrain Tianshan Tibetan

Adaptive Integrated Coastal Zone Planning:History,Challenges,Advances,and Perspectives

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Chinese Geographical Science 2024年第4期34卷 599-617页

作者： wang Xinyi SU Fenzhen wang Xuege PAN Tingting cui Yikun LYNE Vincent yan Fengqin State Key Laboratory of Resources and Environmental Information System Institute of Geographic Sciences and Natural Resources ResearchChinese Academy of SciencesBeijing 100101China College of Resources and Environment University of Chinese Academy of ScienceBeijing 100049China School of Geography and Ocean Sciences Nanjing UniversityNanjing 210023China Institute for Marine and Antarctic Studies University of TasmaniaTasmania 7004Australia

Coastal zones are dynamic,rich environments,now densely populated,and increasingly challenged by human and climatechange *** long-term integrated coastal zone planning is needed to ensure sustainable environmental protection and economic *** this study,we reviewed the history of coastal zone planning since its birth in the 1950s based on the literature retrieved from the Web of Science(Core Collection)from 2000–2023,then summarized the tools and spatial allocation methods commonly used in the planning process,and finally proposed potential solutions to the challenges *** results show that after decades of development,coastal zone planning has changed from a decentralized activity to a targeted and integrated one,with an increasing emphasis on the ecosystem approach and the use of multiple planning *** analysis techniques and environmental modelling software have become increasingly *** programming and overlay analysis are common approaches when performing spatial optimization,but land-sea interactions and planning in the marine parts still lack in-depth analysis and practical *** are also aware that the challenges posed by the integration of administrative hierarchies,scoping and conservation objectives,stakeholder participation,consideration of social dimensions,and climate change are pervasive throughout the planning *** is an urgent need to develop more flexible and accurate spatial modelling tools,as well as more efficient participatory methods,and to focus on the holistic nature of the land-sea system to create more resilient and sustainable coastal zones.

关键词： Integrated Coastal Zone Management(ICZM) coastal zone planning spatial optimization ecosystem-based management

Comprehensive Risk Assessment of Sea Level Rise and Tropical Cyclones in Dongzhaigang Mangroves,China

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Chinese Geographical Science 2024年第4期34卷 631-646页

作者： DING Ruyi CAI Rongshuo yan Xiuhua LI cuihua wang cui NIE Xinyu Third Institute of Oceanography Ministry of Natural ResourcesXiamen 361005China

Mangroves play a pivotal role in tropical and subtropical coastal ecosystem,yet they are highly vulnerable to the effects of climate change,particularly the accelerated global sea level rise(SLR)and stronger tropical cyclones(TCs).However,there is a lack of research addressing future simultaneous combined impacts of the slow-onset of SLR and rapid-onset of TCs on China's *** order to develop a comprehensive risk assessment method considering the superimposed effects of these two factors and analyze risk for mangroves in Dongzhaigang,Hainan Island,China,we used observational and climate model data to assess the risks to mangroves under low,intermediate,and very high greenhouse gas(GHG)emission scenarios(such as SSP1-2.6,SSP2-4.5,and SSP5-8.5)in 2030,2050,and 2100,and compiled a risk assessment scheme for mangroves in Dongzhaigang,*** results showed that the combined risks from SLR and TCs will continue to rise;however,SLRs will increase in intensity,and TCs will *** comprehensive risk of the Dongzhaigang mangroves posed by climate change will remain low under SSP1-2.6 and SSP2-4.5 scenarios by 2030,but it will increase substantially by *** under SSP5-8.5 scenario,the risks to mangroves in Dongzhaigang are projected to increase considerably by 2050,and approximately 68.8%of mangroves will be at very high risk by *** risk to the Dongzhaigang mangroves is not only influenced by the hazards but also closely linked to their exposure and *** therefore propose climate resilience developmental responses for mangroves to address the effects of climate *** study for the combined impact of TCs and SLR on mangroves in Dongzhaigang,China can enrich the method system of mangrove risk assessment and provide references for scientific management.

关键词： mangrove climate change risk assessment combined hazards sea level rise(SLR) tropical cyclones(TCs) resilience development Dongzhaigang China

Number of Solitons Emerged in the Initial Profile of Shallow Water Using Convolutional Neural Networks

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Journal of Systems Science & Complexity 2024年第2期37卷 463-479页

作者： wang Zhen cui Shikun School of Mathematical Sciences Dalian University of TechnologyDalian 116024China School of Mathematical Sciences Beihang UniversityBeijing 100191China

The soliton resolution conjecture proposes that the initial value problem can evolve into a dispersion part and a soliton ***,the problem of determining the number of solitons that form in a given initial profile remains unsolved,except for a few specific *** this paper,the authors use the deep learning method to predict the number of solitons in a given initial value of the Korteweg-de Vries(KdV)*** leveraging the analytical relationship between Asech^(2)(x)initial values and the number of solitons,the authors train a Convolutional Neural Network(CNN)that can accurately identify the soliton count from spatio-temporal *** trained neural network is capable of predicting the number of solitons with other given initial values without any additional *** extensive calculations,the authors demonstrate the effectiveness and high performance of the proposed method.

关键词： Convolutional neural network deep learning method KdV equation soliton