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Constructing energetic covalent organic frameworks with high stability and low sensitivity

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Chinese Chemical Letters 2024年第3期35卷 544-548页

作者： Hui-min guo Xiao-Yu Dong Shan Wang Qian-You Wang Shuang-Quan Zang Henan Key Laboratory of Crystalline Molecular Functional Materials Green Catalysis Centerand College of ChemistryZhengzhou UniversityZhengzhou 450001China

Developing new functional explosives that display high stability,good energy performance,and low sensitivity are one of the key directions of energetic materials *** this work,two-dimensional(2D)Schiff-based energetic covalent organic frameworks(COFs)are prepared based on triaminoguanidine salts with different anions as building *** from the robust covalent bond in 2D extended polygons and strongπ-πinteractions in the eclipsed interlayers,the synthesized energetic COFs showed higher thermal stability and lower mechanical sensitivity than their precursor *** importantly,incorporating triaminoguanidine salts into COFs effectively increase the corrosion resistance to metal under high humidity conditions,which is due to the imine moieties in COFs functioning asπacceptors and offering strong bonding with metallic *** work provides a new pathway for the development of high-performance energetic materials.

关键词： Covalent organic frameworks Energetic materials High thermal stability Low sensitivity Corrosion resistance

Brightening heavily doped upconversion nanoparticles by tuning characteristics of core-shell structures

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Journal of Rare Earths 2024年第5期42卷 947-954,I0005页

作者： Yangyang Niu Zhihao Bao Yuqin Gao Mengchao guo Jingyao Liu Jinjun Shao min Lu Ze Yuan Xiaoji Xie School of Flexible Electronics(Future Technologies)&Institute of Advanced Materials(IAM) Nanjing Tech UniversityNanjing211816China

Heavily doped upconversion nanoparticles(UCNPs)potentially have exceptional photon upconversion abilities that are promising for diverse applications,such as lasing and super-resolution ***,heavily doped UCNPs typically can only offer mediocre upconversion luminescence intensity,and there still lacks general guidelines for the design and synthesis of heavily doped ***,in order to boost the upconversion luminescence of heavily doped UCNPs,we studied the influence of characteristics of the core-shell structure on heavily doped UCNPs'upconversion *** find that some empirical guidelines derived from conventional UCNPs are not suitable for heavily doped *** NaYbF_(4):Tm@NaYF_(4) core-shell UCNPs with a high concentration of Yb_(3+)as a representative,our studies reveal that a rather thick inert NaYF4 shell is needed to protect the UCNPs from surface quenching,and the upconversion luminescence may undergo the cooperative sensitization process,which should be due to the highly concentrated Yb~(3+)*** addition,the upconversion luminescence of heavily doped NaYbF4:Tm UCNPs exhibits no obvious dependence on the type of inert ***,our results show that confining both Yb~(3+)and Tm~(3+)dopants in a thin layer(known as theδ-doping strategy)does not work well in the heavily doped ***,we propose a NaYbF_(4):Tm@NaYbF_(4)@NaYF_(4) core-shell-shell structure to enhance the luminescence of heavily doped UCNPs,by weakening the dissipation of excitation energy and strengthening the *** findings should be helpful to establish general design principles for developing the brightest possible UCNPs that can meet the requirements of various applications.

关键词： Luminescence Upconversion Nanomaterials Rare earths Lanthanide doping

Efficient adsorption separation of methane from C_(2)-C_(3) hydrocarbons in a Co(Ⅱ)-nodes metal-organic framework

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Chinese Journal of Chemical Engineering 2024年第5期69卷 192-198页

作者： Jie Zhang Xingzhe guo Bing Lin Guangzu Xiong Hanshuang Wang min Zhang Liwen Fan Bingwen Li Shuisheng Chen Department of Chemistry and Chemical Engineering Taiyuan Institute of TechnologyTaiyuan 030008China Engineering Research Center of Oligosaccharides Fuyang Normal UniversityFuyang 236041China Shandong Key Laboratory of Biophysics Institute of BiophysicsDezhou UniversityDezhou 253023China

Methane(CH_(4))as a substitute for other mineral fuels plays a crucial role in reducing energy consumption and preventing environmental *** present study employs a solvothermal method to fabricate a porous framework Co-metal-organic framework(Co-MOF)containing two distinct secondary building units(SBUs):an anionic[Co_(2)(μ_(2)-OH)(COO)_(4)(H_(2)O)]and a neutral[CoN_(2)(COO)_(2)].Notably,within the anionic SBUs,the coordinated water molecules induce the generation of divergent unsaturated Co(Ⅱ)centers in the unidirectional porous channels,thereby creating open metal *** adsorption performance of Co-MOF towards pure component gases was systematically *** results demonstrated that Co-MOF exhibits superior adsorption capacity for C_(2)-C_(3) hydrocarbons compared to CH_(4),which offers the potential for efficient adsorption and separation of CH_(4) from C_(2)-C_(3) *** gas selectivity separation ratios of Co-MOF for C_(2)H_(6)/CH_(4) and C_(3)H_8/CH_(4) were calculated using the ideal adsorbed solution theory method at 273/298 K and 0.1 *** results revealed that Co-MOF achieved remarkable equilibrium separation selectivity for CH_(4) and C_(2)-C_(3) hydrocarbon gases among non-modified MOFs,signifying the potential of the synthesized Co-MOF for efficient recovery and purification of CH_(4) from C_(2)-C_(3) *** experiments further demonstrate the ability of Co-MOF to purify methane from C_(2)-C_(3) hydrocarbons in practical gas separation ***,molecular simulation calculations further substantiate the propensity of anionic SBUs to interact with C_(2)-C_(3) hydrocarbon *** study provides a novel paradigm for the development of porous MOF materials in the application of gas mixture separation.

关键词： Co-MOF Separation hydrocarbons Dynamic breakthrough curves Molecular simulations adsorbent Monte Carlo simulation

Machine learning for predicting fatigue properties of additively manufactured materials

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Chinese Journal of Aeronautics 2024年第4期37卷 1-22页

作者： min YI ming XUE Peihong CONG Yang SONG Haiyang ZHANG lingfeng WANG Liucheng ZHOU Yinghong LI Wanlin guo State Key Laboratory of Mechanics and Control for Aerospace Structures Nanjing University of Aeronautics and AstronauticsNanjing 210016China Institute for Frontier Science Nanjing University of Aeronautics and AstronauticsNanjing 210016China College of Aerospace Engineering Nanjing University of Aeronautics and AstronauticsNanjing 210016China Shenyang Engine Research Institute Shenyang 110015China Liaoning Key Laboratory of Impact Dynamics on Aero Engine Shenyang 110015China Science and Technology on Plasma Dynamics Laboratory Air Force Engineering UniversityXi’an 710038China

Fatigue properties of materials by Additive Manufacturing(AM) depend on many factors such as AM processing parameter, microstructure, residual stress, surface roughness, porosities, post-treatments, etc. Their evaluation inevitably requires these factors combined as many as possible, thus resulting in low efficiency and high cost. In recent years, their assessment by leveraging the power of Machine Learning(ML) has gained increasing attentions. A comprehensive overview on the state-of-the-art progress of applying ML strategies to predict fatigue properties of AM materials, as well as their dependence on AM processing and post-processing parameters such as laser power, scanning speed, layer height, hatch distance, built direction, post-heat temperature,etc., were presented. A few attempts in employing Feedforward Neural Network(FNN), Convolutional Neural Network(CNN), Adaptive Network-Based Fuzzy Inference System(ANFIS), Support Vector Machine(SVM) and Random Forest(RF) to predict fatigue life and RF to predict fatigue crack growth rate are summarized. The ML models for predicting AM materials' fatigue properties are found intrinsically similar to the commonly used ones, but are modified to involve AM features. Finally, an outlook for challenges(i.e., small dataset, multifarious features,overfitting, low interpretability, and unable extension from AM material data to structure life) and potential solutions for the ML prediction of AM materials' fatigue properties is provided.

关键词： Additive manufacturing Machine learning Fatigue life Fatigue crack growth rate Prediction

Hydrogen Bonds in Perovskite for Efficient and Stable Photovoltaic

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Chinese Journal of Chemistry 2024年第11期42卷 1284-1306页

作者： Tian-yun Wang Yang-yang Hao ming-zhe Zhu guo-rui Cao Zhong-min Zhou College of Chemistry and Molecular Engineering Qingdao University of Science and TechnologyQingdaoShandong266042 China College of Chemical Engineering Qingdao University of Science and TechnologyQingdaoShandong266042 China

Owing to their distinctive optical and physical properties,organic-inorganic hybrid perovskite materials have gained significant attention in the field of electronic devices,especially solar *** achievement of high-performance solar cells hinges upon the utilization of top-notch perovskite thin ***,the fabrication process involving solutions and the polycrystalline nature of perovskite result in the emergence of numerous defects within the perovskite films,consequently exerting a deleterious influence on the overall performance and stability of the *** the performance and stability of perovskite solar cells by additive engineering to suppress/passivate defects is a viable approach,which involves hydrogen bond interactions in these device engineering *** review explores the intrinsic hydrogen bonds in methylammonium and formamidium lead triiodide,while also considering cation rotations,phase transitions,and ***,the review classifies additives into distinct categories,including organic small molecules,polymers,nanodots,classical salts,ionic liquids,and molten *** various forms and characterization techniques of hydrogen bonds are discussed,as well as their potential synergistic effects in conjunction with other chemical ***,this review offers insights into the potential utilization of hydrogen bonds to further enhance the performance and stability of devices.

关键词： Perovskite solar cells Hydrogen bond Additive Performance Stability Charge transfer Inhibition Cooperative effects

Lactobacillus plantarum CCFM1180 attenuates obesity induced by estrogen deficiency by activating estrogen receptor alpha in abdominal adipose tissue and regulating gut microbiota-derived metabolites

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Food Science and Human Wellness 2024年第2期13卷 765-777页

作者： Qian Chen Chunxia Mei min guo Botao Wang Haiqin Chen Jianxin Zhao Gang Wang Wei Chen State Key Laboratory of Food Science and Resources Jiangnan UniversityWuxi 214122China School of Food Science and Technology Jiangnan UniversityWuxi 214122China National Engineering Research Center for Functional Food Jiangnan UniversityWuxi 214122China (Yangzhou)Institute of Food Biotechnology Jiangnan UniversityYangzhou 225004China Bloomage Biotechnology Co. Ltd.Jinan 250000China

Lipid metabolism disorders commonly occur during *** deficiency has been shown to lead to excessive energy intake and abnormal lipid metabolism in ovariectomized rats,resulting in *** exhibit anti-obesity properties,and their underlying mechanism has been widely *** this study,we demonstrated the metabolic benefits of Lactobacillus plantarum CCFM1180 in suppressing appetite,controlling body weight,correcting obesity-induced abnormalities,enhancing liver lipid metabolism,and protecting liver function in estrogen-deficient *** mechanisms associated with the anti-obesity and anti-dyslipidemia effects of CCFM1180 on estrogen-deficient rats were *** results showed that CCFM1180 dramatically reduced food intake by activating the expression of estrogen receptor alpha(ERα)and increasing the level of leptin in abdominal adipose *** changes,combined with the increased butyrate concentration and recovered bile acid structure,helped enhance lipid ***,CCFM1180 treatment was found to be safer than exogenous estrogen ***,*** CCFM1180 could be considered a new therapeutic strategy for preventing and alleviating menopausal lipid abnormalities.

关键词： Bile acid Gut microbiota Menopause Ovariectomy Short chain fatty acid

Biomass valorization via electrocatalytic carbon–carbon bond cleavage

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Journal of Energy Chemistry 2024年第4期91卷 542-578页

作者： Keping Wang Zhenyan guo min Zhou Ying Yang Lanyun Li Hu Li Rafael Luque Shunmugavel Saravanamurugan National Key Laboratory of Green Pesticide Key Laboratory of Green Pesticide&Agricultural BioengineeringMinistry of EducationState-Local Joint Laboratory for Comprehensive Utilization of BiomassCenter for R&D of Fine ChemicalsGuizhou UniversityGuiyang 550025GuizhouChina Departamento de Quimica Organica Universidad de CordobaCampus de RabanalesEdificio Marie Curie(C-3)Ctra Nnal IVKm.396E-14014 CordobaSpain Laboratory of Bioproduct Chemistry Centre of Innovative and Applied Bioprocessing(CIAB)Mohali 140306PunjabIndia

Renewable electrocatalytic upgrading of biomass feedstocks into valuable chemicals is one of the promising strategies to relieve the pressure of traditional energy-based *** electrocatalytic carbon–carbon bond cleavage of high selectivity,various functionalized molecules,such as organic acids,amides,esters,and nitriles,have great potential to be accessed from ***,it has merely received finite concerns and interests in the *** review first showcases the research progress on the electrocatalytic conversion of lipid/sugar-and lignin-derived molecules(e.g.,glycerol,mesoerythritol,xylose,glucose,1-phenylethanol,and cyclohexanol)into organic acids via specific carbon–carbon bond scission processes,with focus on disclosing reaction mechanisms,recognizing actual active species,and collecting feasible modification *** the guidance of further extensive studies on biomass valorization,organic transformations via a variety of reactions,including decarboxylation,ring-opening,rearrangement,reductive hydrogenation,and carboxylation,are also disclosed for the construction of similar carbon skeletons/*** remaining challenges,prospective applications,and future objectives in terms of biomass conversion are also *** review is expected to provide references to develop renewed electrocatalytic carbon–carbon bond cleavage transformation paths/strategies for biomass upgrading.

关键词： Electrocatalysis Biomass conversion Carbon-carbon bond cleavage Organic acids

Rheum palmatum L. and Salvia miltiorrhiza Bge. Alleviates Acute Pancreatitis by Regulating Th17 Cell Differentiation: An Integrated Network Pharmacology Analysis, Molecular Dynamics Simulation and Experimental Validation

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Chinese Journal of Integrative Medicine 2024年第5期30卷 408-420页

作者： FENG min-chao LUO Fang HUANG Liang-jiang LI Kai CHEN Zu-min LI Hui YAO Chun QIN Bai-jun CHEN guo-zhong The First Clinical Medical College Guangxi University of Traditional Chinese MedicineNanning 530000China Guangxi Key Laboratory of Molecular Biology of Traditional Chinese Medicine and Preventive Medicine Nanning 530000China Graduate School Guangxi University of Traditional Chinese MedicineNanning 530000China Department of Gastroenterology the First Affiliated Hospital of Guangxi University of Traditional Chinese MedicineNanning 530023China

Objective: To identify the core targets of Rheum palmatum L. and Salvia miltiorrhiza Bge.,(Dahuang-Danshen, DH-DS) and the mechanism underlying its therapeutic efficacy in acute pancreatitis(AP)using a network pharmacology approach and validate the findings in animal experiments. Methods: Network pharmacology analysis was used to elucidate the mechanisms underlying the therapeutic effects of DH-DS in AP. The reliability of the results was verified by molecular docking simulation and molecular dynamics ***, the results of network pharmacology enrichment analysis were verified by immunohistochemistry,Western blot analysis and real-time quantitative PCR, respectively. Results: Sixty-seven common targets of DH-DS in AP were identified and mitogen-activated protein kinase 3(MAPK3), Janus kinase 2(JAK2), signal transducer and activator of transcription 3(STAT3), protein c-Fos(FOS) were identified as core targets in the protein interaction(PPI) network analysis. Gene ontology analysis showed that cellular response to organic substance was the main functions of DH-DS in AP, and Kyoto Encyclopedia of Genes and Genomes analysis showed that the main pathway included Th17 cell differentiation. Molecular docking simulation confirmed that DH-DS binds with strong affinity to MAPK3, STAT3 and FOS. Molecular dynamics simulation revealed that FOS-isotanshinone Ⅱ and STAT3-dan-shexinkum d had good binding capacity. Animal experiments indicated that compared with the AP model group, DH-DS treatment effectively alleviated AP by inhibiting the expression of interleukin-1β, interleukin-6 and tumor necrosis factor-α, and blocking the activation of Th17 cell differentiation(P<0.01). Conclusion: DH-DS could inhibit the expression of inflammatory factors and protect pancreatic tissues,which would be functioned by regulating Th17 cell differentiation-related m RNA and protein expressions.

关键词： Rheum palmatum L. Salvia miltiorrhiza Bge. molecular docking simulation network pharmacology acute pancreatitis Th17 cell differentiation

Labial inverse dilaceration of bilateral maxillary central incisors: A case report

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World Journal of Clinical Cases 2024年第1期12卷 180-187页

作者： Jun-min Wang Li-Feng guo Li-Qiong Ma Jing Zhang Stomatological Hospital and College Key Laboratory of Oral Diseases Research of Anhui ProvinceAnhui Medical UniversityHefei 230032Anhui ProvinceChina Stomatological Hospital and College Anhui Medical UniversityHefei 230032Anhui ProvinceChina

BACKGROUND Dilaceration is a rare dental developmental anomaly characterized by an abrupt deviation along the longitudinal axis of the root in which an angulation forms between the root and the ***,we report on dilacerated bilateral maxi-llary central incisors in mixed *** SUMMARY A 10-year-old girl presented with a chief complaint of unerupted central *** oral examination and radiography provided the basis for a diagnosis of dilaceration of the maxillary central *** surgical exposure of the impacted teeth,a button with an attached chain was applied to the palatal surface of teeth 11 and *** 8 mo,a button was bonded to the labial surface of the crown to fix an elastic chain and move the teeth toward the maxillary ***,a fixed appliance was applied to tooth alignment to Class 1 malocclusion using a 0.019×0.025-inch nickel-titanium *** 3 years of follow-up,the clinical findings and radiographic assessment showed that the roots had developed with vital dental pulp and healthy periodontium,were acceptable aesthetically,and showed no *** The rare occurrences of dilacerated bilateral maxillary central incisors can be successfully treated through surgical exposure and orthodontics.

关键词： Dilaceration Traumatic injury Central incisors Child Primary tooth Case report