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Highly efficient catalyzed by imidazolium-based dual-sulfonic acid functionalized ionic liquids for liquid phase Beckmann rearrangement:experiments and COSMO-RS calculations

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Green Chemical Engineering 2024年第1期5卷 108-118页

作者： Xin guo zhiyuan Wang Ye Yang Jiahui Zhang Yanduo Liu zhiyuan Mu Siqi Jiang Chunxiao Ren Dan lv Yufeng Hu zhichang Liu State Key Laboratory of Heavy Oil Processing and High Pressure Fluid Phase Behavior&Property Research Laboratory China University of PetroleumBeijing102249China School of Chemistry and Materials Science University of Science and Technology of ChinaHefei230026China School of Light Industry and Engineering South China University of TechnologyGuangzhou510641China

A production technique with the high yield and environmentally friendly process need be developed forε-Caprolactam(CPL)in the chemical *** technology is highly desired to design and synthesize high--performance catalysts for liquid phase Beckmann rearrangement of cyclohexanone oxime(CHO)to *** this work,3-methyl-1-(propyl-4-sulfonyl)imidazolium methanesulfonate([PHSO_(3)MIM][MSA])with highly efficient and excellent yield is synthesized *** the optimum molar ratio of ZnCl_(2)over[PHSO_(3)MIM][MSA]was 0.02,it exhibits the high selectivity(94%)of CPL at 90℃for 1 ***,Fourier-transform infrared(FT-IR)investigations show that the functional Br∅nsted-Lewis acidic types of ionic liquids(ILs)are formed by the uniformly distributed ZnCl_(2)and[PHSO_(3)MIM][MSA].In addition,the hydrogen bond(H-bond)is formed between CHO and *** ten reaction cycles,no significant structure changes are observed in the recovered[PHSO_(3)MIM][MSA]-ZnCl_(2).The solubilities of ILs are predicted by using COSMO-RS model,the results show that[PHSO_(3)MIM][MSA]is a promising candidate for the liquid phase Beckmann rearrangement of CHO into ***,a theoretical model of the H-bond interactions between ILs and CHO is further confirmed to support the advance of reaction mechanism.A feasible way is provided for the CPL production technique in the liquid phase Beckmann rearrangement reaction.

关键词： Liquid phase Beckmann rearrangement Imidazolium-based ionic liquids COSMO-RS calculations H-bond

Neural network mapping of gelastic behavior in children with hypothalamus hamartoma

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World Journal of Pediatrics 2024年第7期20卷 735-745页

作者： zhi‑Hao guo Jian‑guo Zhang Xiao‑Qiu Shao Wen‑Han Hu Lin Sang Zhong Zheng Chao Zhang Xiu Wang Chun‑De Li Jia‑Jie Mo Kai Zhang Department of Neurosurgery Beijing Tiantan HospitalCapital Medical UniversityNo.119 South 4th Ring West RoadFengtai DistrictBeijing 100070China Department of Neurosurgery Beijing Neurosurgical InstituteCapital Medical UniversityBeijingChina Department of Neurology Beijing Tiantan HospitalCapital Medical UniversityBeijingChina Department of Neurosurgery Beijing Fengtai HospitalBeijingChina

Background Hypothalamus hamartomas(HHs)are rare,congenital,tumor-like,and nonprogressive malformations resulting in drug-resistant epilepsy,mainly affecting *** seizures(GS)are an early hallmark of epilepsy with *** aim of this study was to explore the disease progression and the underlying physiopathological mechanisms of pathological laughter in *** We obtained clinical information and metabolic images of 56 HH patients and utilized ictal semiology evaluation to stratify the specimens into GS-only,GS-plus,and no-GS subgroups and then applied contrasted trajectories inference(cTI)to calculate the pseudotime value and evaluate GS *** logistic regression was performed to identify neuroimaging-clinical predictors of GS,and then voxelwise lesion network-symptom mapping(LNSM)was applied to explore GS-associated brain *** cTI inferred the specific metabolism trajectories of GS progression and revealed increased complexity from GS to other seizure *** was further validated via actual disease duration(Pearson R=0.532,P=0.028).Male sex[odds ratio(OR)=2.611,P=0.013],low age at seizure onset(OR=0.361,P=0.005),high normalized HH metabolism(OR=−1.971,P=0.037)and severe seizure burden(OR=−0.006,P=0.032)were significant neuroimaging clinical *** revealed that the dysfunctional cortico-subcortico-cerebellar network of GS and the somatosensory cortex(S1)represented a negative *** This study sheds light on the clinical characteristics and progression of GS in children with *** identified distinct subtypes of GS and demonstrated the involvement of specific brain regions at the cortical–subcortical–cerebellar *** valuable results contribute to our understanding of the neural correlates of GS.

关键词： Contrasted trajectories inference Gelastic seizure Hypothalamus hamartoma Lesion network-symptom mapping Neural basis

Heyingwuzi formulation alleviates diabetic retinopathy by promoting mitophagy via the HIF-1α/BNIP3/NIX axis

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World Journal of Diabetes 2024年第6期15卷 1317-1339页

作者： Jia-Jun Wu Shu-Yan Zhang Lin Mu zhi-guo Dong Yin-Jian Zhang Department of Ophthalmology Longhua Hospital Shanghai University of Traditional Chinese MedicineShanghai 200032China Department of Ophthalmology Eye and ENT HospitalFudan UniversityShanghai 200031China

BACKGROUND Diabetic retinopathy(DR)is the primary cause of visual problems in patients with *** Heyingwuzi formulation(HYWZF)is effective against *** To determine the HYWZF prevention mechanisms,especially those underlying *** Human retinal capillary endothelial cells(HRCECs)were treated with high glucose(hg),HYWZF serum,PX-478,or Mdivi-1 in ***,cell counting kit-8,transwell,and tube formation assays were used to evaluate HRCEC proliferation,invasion,and tube formation,*** electron microscopy was used to assess mitochondrial morphology,and Western blotting was used to determine the protein *** cytometry was used to assess cell apoptosis,reactive oxygen species(ROS)production,and mitochondrial membrane ***,C57BL/6 mice were established in vivo using streptozotocin and treated with HYWZF for four *** glucose levels and body weight were monitored *** in retinal characteristics were evaluated using hematoxylin and eosin,tar violet,and periodic acid-Schiff *** levels in retinal tissues were determined via Western blotting,immunohistochemistry,and *** HYWZF inhibited excessive ROS production,apoptosis,tube formation,and invasion in hg-induced HRCECs via mitochondrial autophagy in *** increased the mRNA expression levels of BCL2-interacting protein 3(BNIP3),FUN14 domain-containing 1,BNIP3-like(BNIP3L,also known as NIX),PARKIN,PTEN-induced kinase 1,and hypoxia-inducible factor(HIF)-1α.Moreover,it downregulated the protein levels of vascular endothelial cell growth factor and increased the light chain 3-II/I ***,PX-478 and Mdivi-1 reversed these ***,PX-478 and Mdivi-1 rescued the effects of HYWZF by decreasing oxidative stress and apoptosis and increasing *** intervention improved the symptoms of diabetes,tissue damage,number of acellular capillaries,and oxidative stress in ***,in vivo

关键词： Diabetic retinopathy HIF-1α/BNIP3/NIX axis Mitophagy Heyingwuzi formulation Traditional Chinese medicine

Side-Chain Engineering of Non-Fullerene Acceptors with Trialkylsilyloxy Groups for Enhanced Photovoltaic Performancet

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Chinese Journal of Chemistry 2024年第18期42卷 2153-2160页

作者： Qingyuan Wang Qi Chen Shixin Meng Li Tian Haiqiao Wang Yu Chen Zitong Liu Lingwei Xue zhi-guo Zhang State Key Laboratory of Chemical Resource Engineering Beijing Advanced Innovation Center for Soft Matter Science and EngineeringBeijingUniversityof Chemical TechnologyBeijing 100029China School of Materials Science and Engineering Henan University of TechnologyZhengzhouHenan 450001China Beijing Engineering Research Center for the Synthesis and Applications of Waterborne Polymers Beijing University of Chemical TechnologyBeijing100029China The Institute of High Energy Physics Chinese Academy of SciencesBejing 100049China state Key Laboratory of Applied Organic Chemistry(SKLAoc) College of Chemistry and Chemical EngineeringLanzhou UniversityLanzhouGansu730000China Yaoshan Laboratory Pingdingshan UniversityPingdingshanHenan 467000China

Side-chain engineering has emerged as a highly effective strategy for tailoring the aggregation behavior and charge transport properties of non-fullerene small molecule acceptors(SMAs).In this study,we designed and synthesized two SMAs,namely BTPSi-Bu and BTPSi-Pr,respectively incorporating tributylsilyloxy and trisopropylsilyloxy groups in their outer ***,BTPSi-Bu exhibited better planarity,crystallization,and favorable phase separation when paired with PM6 donor polymer compared to its counterpart,*** resulting organic solar cells,utilizing the PM6:BTPSi-Bu blend,demonstrated a remarkable power conversion efficiency of 17.41%and a high open-circuit voltage of 0.859 *** findings underscore the significance of integrating trialkylsilyloxy side chains into SMAs as a rational design approach for enhancing the performance of photovoltaic systems.

关键词： Organic solar cells Non-fullerene acceptors Oligomers Side-chain engineering Energy conversion Synthesis design Donor-acceptor systems

Polaron interfacial entropy as a route to high thermoelectric performance in DAE-doped PEDOT:PSS films

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National Science Review 2024年第3期11卷 259-270页

作者： Jiajia Zhang Caichao Ye Genwang Wei Liang guo Yuhang Cai zhi Li Xinzhi Wu Fangyi Sun Qikai Li Yupeng Wang Huan Li Yuchen Li Shuaihua Wang Wei Xu Xuefeng guo Wenqing Zhang Weishu Liu Department of Materials Science and Engineering Southern University of Science and Technology Academy for Advanced Interdisciplinary Studies and Guangdong Provincial Key Laboratory of Computational Science and Material Design Southern University of Science and Technology Department of Mechanical and Energy Engineering Southern University of Science and Technology Beijing National Laboratory for Molecular Sciences Key Laboratory of Organic Solids Institute of Chemistry Chinese Academy of Sciences College of Chemistry and Molecular Engineering National Biomedical Imaging Centre Peking University Guangdong Provincial Key Laboratory of Functional Oxide Materials and Devices Southern University of Science and Technology

Enhancing the thermoelectric transport properties of conductive polymer materials has been a long-term challenge, in spite of the success seen with molecular doping strategies. However, the strong coupling between the thermopower and the electrical conductivity limits thermoelectric performance. Here, we use polaron interfacial occupied entropy engineering to break through this intercoupling for a PEDOT:PSS(poly（3,4-ethylenedioxythiophene）-poly（4-styrenesulfonate）) thin film by using photochromic diarylethene（DAE） dopants coupled with UV-light modulation. With a 10-fold enhancement of the thermopower from 13.5 μV K-1to 135.4 μV K-1and almost unchanged electrical conductivity, the DAE-doped PEDOT:PSS thin film achieved an extremely high power factor of 521.28 μW m-1K-2from an original value of 6.78 μW m-1K-2. The thermopower was positively correlated with the UV-light intensity but decreased with increasing temperature, indicating resonant coupling between the planar closed DAE molecule and PEDOT. Both the experiments and theoretical calculations consistently confirmed the formation of an interface state due to this resonant coupling. Interfacial entropy engineering of polarons could play a critical role in enhancing the thermoelectric performance of the organic film.

关键词： thermoelectric PEDOT: PSS interfacial occupied entropy resonant coupling UV-light modulation

Intermediate phase-assisted growth of CsPbBr_(3) for high performance of carbon-based perovskite solar cells

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Rare Metals 2024年第5期43卷 2222-2229页

作者： Bo-Yan Liu He-Ming Yang Yu-Dong Zuo zhi-Hao Tao Jun-Chun Li Ya-Jing Chang guo-Qing Tong Yang Jiang School of Materials Science and Engineering Hefei University of TechnologyHefei 230009China State Key Laboratory of Pulsed Power Laser Technology National University of Defense TechnologyHefei 230037China

CsPbBr_(3)inorganic perovskites have been regarded as the promising materials in the field of photo-voltaics because of the high tolerance against *** high energy barrier of phase transition from lead bromide(PbBr_(2))to CsPbBr_(3)perovskite and low solubility of perovskite in organic solvent impede the further improvement of device performance in terms of CsPbBr_(3)solar ***,an intermediate phase-assisted growth of CsPbBr_(3)perovskite was proposed by introducing tetraphenylphosphonium bromide(TPPB)as *** TPPB is expected to react with PbBr_(2)in organic solvent to form an intermediate phase of[***]-PbBr_(2),which not only effectively improves the crystallinity of PbBr2 crystals,but also greatly reduces the phase transition energy barrier,leading to uniform and compact CsPbBr_(3)perovskite films with large grain size and high *** combination with carbon electrode,the CsPbBr_(3)solar cells yield a champion device performance of 9.57%in comparison of pristine CsPbBr_(3)solar cells showing a low efficiency of 8.17%.Furthermore,the intermediate phaseassisted growth of CsPbBr_(3)-based solar cells displays an outstanding storage over720 h.

关键词： CsPbBr_(3) Perovskite solar cells Carbon electrode Hole transport layer free Intermediate phase

Unveiling the Re,Cr,and I diffusion in saturated compacted bentonite using machine-learning methods

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Nuclear Science and Techniques 2024年第6期35卷 65-77页

作者： Zheng-Ye Feng Jun-Lei Tian Tao Wu guo-Jun Wei zhi-Long Li Xiao-Qiong Shi Yong-Jia Wang Qing-Feng Li Department of Engineering Huzhou UniversityHuzhou 313000China Institute of Theoretical Physics Shanxi UniversityTaiyuan 030006China College of Physics Science and Technology Shenyang Normal UniversityShenyang 110034China

The safety assessment of high-level radioactive waste repositories requires a high predictive accuracy for radionuclide diffusion and a comprehensive understanding of the diffusion *** this study,a through-diffusion method and six machine-learning methods were employed to investigate the diffusion of ReO_(4)^(−),HCrO_(4)^(−),and I−in saturated compacted bentonite under different salinities and compacted dry *** machine-learning models were trained using two *** dataset contained six input features and 293 instances obtained from the diffusion database system of the Japan Atomic Energy Agency(JAEA-DDB)and 15 *** other dataset,comprising 15,000 pseudo-instances,was produced using a multi-porosity model and contained eight input *** results indicate that the former dataset yielded a higher predictive accuracy than the *** gradient-boosting exhibited a higher prediction accuracy(R2=0.92)and lower error(MSE=0.01)than the other machine-learning *** addition,Shapley Additive Explanations,Feature Importance,and Partial Dependence Plot analysis results indicate that the rock capacity factor and compacted dry density had the two most significant effects on predicting the effective diffusion coefficient,thereby offering valuable insights.

关键词： Machine learning Effective diffusion coefficient Through-diffusion experiment Multi-porosity model Global analysis

In-situ deposited anti-aging TiN capping layer for Nb superconducting quantum circuits

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Chinese Physics B 2024年第9期33卷 133-137页

作者： Hao-Ran Tao Lei Du Liang-Liang guo Yong Chen Hai-Feng Zhang Xiao-Yan Yang guo-Liang Xu Chi Zhang zhi-Long Jia Peng Duan guo-Ping guo CAS Key Laboratory of Quantum Information University of Science and Technology of ChinaHefei 230026China CAS Center for Excellence and Synergetic Innovation Center in Quantum Information and Quantum Physics University of Science and Technology of ChinaHefei 230026China Origin Quantum Computing Company Limited Hefei 230088China

The performance of Nb superconducting quantum devices is predominantly limited by dielectric loss at the metal–air interface,where Nb2O5 is considered the main loss ***,we suppress the formation of native oxides by in-situ deposition of a TiN capping layer on the Nb *** TiN capping layers,no Nb2O5 forms on the surface of the Nb *** quality factor Qi of the Nb resonator increases from 5.6×10^(5) to 7.9×10^(5) at low input power and from 6.8×10^(6) to 1.1×10^(7)at high input ***,the TiN capping layer also shows good aging resistance in Nb resonator devices,with no significant performance fluctuations after one month of *** findings highlight the effectiveness of TiN capping layers in enhancing the performance and longevity of Nb superconducting quantum devices.

关键词： anti-aging oxidation dielectric loss Nb superconducting quantum circuits

Investigation on the mechanism of Qiangxinhuoli prescription in the treatment of chronic heart failure based on p38-MAPK signaling pathway

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Traditional Medicine Research 2024年第7期9卷 13-24页

作者： Di guo Qiu-Han Zheng Di Wang zhi Pan Xiao-Ling Shang College of Basic Medicine Changchun University of Chinese MedicineChangchun 130117China. Jilin Ginseng Academy Changchun University of Chinese MedicineChangchun 130117China.

Background:The aim of this study is to investigate the mechanism of action underlying the therapeutic effects of the national patent Chinese medicine compound“Qiangxinhuoli prescription(QXHLF)”on chronic heart failure(CHF).Methods:In vitro,the H_(9)C_(2) cell model was induced by ANGII,and cell proliferation and related protein expression were detected by Cell Counting Kit-8 and Western *** vivo,A rat model of CHF was prepared by ligation of the left anterior descending coronary *** effects of QXHLF on cardiac function in CHF rats were evaluated by cardiac index,hemodynamic changes,enzyme-linked immunosorbent assay,hematoxylin-eosin staining,immunohistochemistry,Western blot and *** expression of pro-apoptotic factors and anti-apoptotic factors,as well as TGFβ1,p-p38,TAK 1 mRNA,and protein,were ***:In vitro,QXHLF has a significant inhibitory effect on the proliferation of H_(9)C_(2) *** can reduce the expression levels of TAK 1,TGFβ1,p-p38,Caspase3 and BAX proteins in H_(9)C_(2) cells,and increase the expression level of BCL_(2) *** vivo,QXHLF has the potential to increase left ventricular systolic pressure,m aximum rate of change in left ventricular pressure while decreasing left ventricular end diastolic pressure,and inhibiting the serum levels of brain natriuretic ***,QXHLF exhibits significant improvements in the pathological alterations of myocardial cells and fibers in CHF rats,leading to enhanced myocardial tissue morphology and notable advantages in combating myocardial *** can reduce the levels of BAX and Caspase3 and up-regulate the expression of BCL_(2),thereby inhibiting cardiomyocyte ***,QXHLF demonstrates inhibitory effects on the mRNA and protein expression levels of TGFβ_(1),TAK_(1),and p-p38 in the heart tissue of the CHF rat ***:These findings indicate that QXHLF has a therapeutic effect on CHF by inhibiting the p38-MAPK signaling pathway,reducing m

关键词： chronic heart failure Qiangxinhuoli prescription p38MAPK pathway H_(9)C_(2) Action mechanism