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Sequence structure controllable polymerization-induced self-assembly

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Science China Chemistry 2024年第1期67卷 390-397页

作者： Zi-Xuan chang Ren-Man Zhu chun-Yan Hong Wen-Jian Zhang Department of Polymer Science and Engineering University of Science and Technology of ChinaHefei 230026China Institute of Physical Science and Information Technology Anhui UniversityHefei 230601China Key Laboratory of Environment-Friendly Polymeric Materials of Anhui Province Anhui UniversityHefei 230601China

Polymerization-induced self-assembly(PISA)combines synthesis and self-assembly of artificial polymers in one-pot,which brings us one step closer to emulating biosynthesis.However,the reported PISA formulations primarily focus on developing nano-objects with new chemical compositions and rarely on structural regulation of polymers with specific components.Herein,sequence structure controllable polymerization-induced self-assembly(SCPISA)is reported by using 7-(2-methacryloyloxyethoxy)-4-methylcoumarin(CMA)as a monomer.During the copolymerization of 2-hydroxyethyl methacrylate(HEMA)and CMA,controlled incorporation of CMA units into the polymer chains can be realized by programmable light/heat changes.SCPISA-based P(HEMA-co-CMA)copolymers with the same composition but different sequence structures generate a range of assemblies.Moreover,the morphologies of the resultant nano-objects can also be controlled by regulating the feed molar ratio of CMA and HEMA,which is similar to the conventional PISA,but the synthesis procedure is obviously simplified in SCPISA.The versatility of the methodology is further demonstrated by the fabrication of different functional nano-objects with sequence structure-dependent morphologies in SCPISA systems with different functional monomers.

关键词： polymerization-induced self-assembly sequence-controlled polymers PET-RAFT polymerization

Stereodivergent synthesis ofα-fluoroα-azaarylγ-butyrolactones via cooperative copper and iridium catalysis

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Fundamental Research 2024年第1期4卷 77-85页

作者： Kui Tian Xin chang Lu Xiao Xiu-Qin Dong chun-Jiang Wang College of Chemistry and Molecular Sciences Engineering Research Center of Organosilicon Compounds&MaterialsMinistry of EducationWuhan UniversityWuhan 430072China State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryShanghai 230021China Suzhou Institute of Wuhan University Suzhou 215123China

The development of stereodivergent synthetic methods to access all four stereoisomers of biologically importantα-fluoroγ-butyrolactones containing vicinal stereocenters is of great importance and poses a formidable challenge owing to ring strain and steric hindrance.Herein,a novel asymmetric[3+2]annulation ofα-fluoroα-azaaryl acetates with vinylethylene carbonate was successfully developed through Cu/Ir-catalyzed cascade allylic alkylation/lactonization,affording a variety of enantioenrichedα-fluoroγ-butyrolactones bearing vicinal stereogenic centers with high reaction efficiency and excellent levels of both stereoselectivity and regioselectivity(up to 98%yield,generally>20:1 dr and>99%ee).Notably,all four stereoisomers of these pharmaceutically valuable molecules could be accessed individually via simple permutations of two enantiomeric catalysts.In addition,other azaaryl acetates bearingα-methyl,α-chlorine orα-phenyl group were tolerated well in this transformation.Reaction mechanistic investigations were conducted to explore the process of this bimetallic catalysis based on the results of reaction intermediates,isotopic labelling experiments,and kinetic studies.

关键词： Asymmetric catalysis α-Fluoroγ-butyrolactones Synergistic catalysis Cascade reaction Stereodivergent synthesis

A homopolymolybdate-supported plate-like 2D cobalt network constructed from a new pyrazole-amide-pyridyl ligand: highly electrochemical activity in both capacitive performance and the detection of Cr(Ⅵ)

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Tungsten 2024年第2期6卷 422-427页

作者： Xiu-Li Wang Yong-Zhen Chen Zhi-Han chang Yu-chun Lin Jing-Yi Ma College of Chemistry and Materials Engineering Bohai UniversityJinzhou 121013China Professional Technology Innovation Center of Liaoning Province for Conversion Materials of Solar Cell Jinzhou 121013China

By employing a new semi-rigid pyrazole-amide-derived bis(pyridyl)ligand[N,N'-bis(4-picolylamine)-1-hydropyrazole(4-dpap)],a new homopolymolybdate-based two-dimensional(2D)plate-like complex[Co(4-dpap)(H_(2)O)(β-Mo_(8)O_(2)6)1/2](1)has been prepared under solvothermal condition and structurally characterized.Theβ-Mo_(8)anions are fi xed between the 2D metal–organic networks[Co(4-dpap)(H_(2)O)]n 2n+via hydrogen-bonding interaction.Complex 1 possesses satisfactory specifi c capacitance of 1512.4 F·g^(−1)(current density:1 A·g^(−1))and good cycling stability(90.8%after 1000 cycles).Moreover,1 represents a promising amperometric sensor for measurement of Cr(Ⅵ)with low detection limit(0.042μmol·L^(−1))and high durability.The insertion ofβ-Mo_(8)anions between the unique 2D metal−organic networks improves the active area of polyoxometalates,which further promotes electrochemical performance.

关键词： Homopolymolybdate Metal–organic network Pyrazole-amide-derived bis(pyridyl)ligand Supercapacitor Electrochemical sensor

Adenocarcinoma of sigmoid colon with metastasis to an ovarian mature teratoma: A case report

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World Journal of Clinical Cases 2024年第4期12卷 853-858页

作者： Wei Wang chun-Chi Lin Wen-Yi Liang Shih-Ching chang Jeng-Kai Jiang Division of Colorectal Surgery Department of SurgeryTaipei Veterans General HospitalTaipei 11217Taiwan Faculty of Medicine School of MedicineNational Yang Ming Chiao Tung UniversityTaipei 112304Taiwan Department of Pathology Taipei Veteran General HospitalTaipei 11217Taiwan

BACKGROUND Colorectal cancer ranks third in global cancer-related mortality,often due to metastases to liver and lungs.Ovarian metastases are less common,accounting for 3.6%to 7.4%of cases.In contrast,mature ovarian teratomas are frequently benign.Tumor-to-tumor metastasis is a rare phenomenon,with a limited number of documented cases.Three cases of mature ovarian teratomas metastasizing from different cancers have been reported.This report focuses on a case of tumor-totumor metastasis from sigmoid colon adenocarcinoma to a mature ovarian teratoma.CASE SUMMARY A 41-year-old Taiwan residents woman with no known systemic diseases presented with lower back pain,which led to imaging revealing malignant lesions in the spine,pelvis,liver,and multiple lung metastases.She was diagnosed with sigmoid colon adenocarcinoma with metastases to the liver,lung,bone,and a left ovarian teratoma.Treatment involved radiotherapy and chemotherapy,resulting in regression of the primary tumor and stable lung and liver lesions.Due to abdominal symptoms,she underwent exploratory surgery,unveiling a mature teratoma in the left ovary with signs of metastatic adenocarcinoma.CONCLUSION Consider resecting mature ovarian teratomas with concurrent colorectal adenocarcinoma to prevent tumor-to-tumor metastasis.

关键词： Tumor-to-tumor metastasis Colorectal cancer Ovarian teratoma Adeno carcinoma Case report

One-step conversion of methane and formaldehyde to ethanol over SA-FLP dual-active-site catalysts: A DFT study

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Chinese Chemical Letters 2024年第4期35卷 544-548页

作者： Tao Ban Xi-Yang Yu Hai-Kuo Tian Zheng-Qing Huang chun-Ran chang Shaanxi Key Laboratory of Energy Chemical Process Intensification School of Chemical Engineering and TechnologyXi'an Jiaotong UniversityXi'an 710049China Shaanxi Key Laboratory of Low Metamorphic Coal Clean Utilization School of Chemistry and Chemical EngineeringYulin UniversityYulin 719000China

One-step conversion of methane and formaldehyde into ethanol is a 100% atom-efficient process for carbon resources utilization and environment protection but still faces eminent challenges due to the lacking of efficient catalysts. Therefore, developing active and stable catalysts is crucial for the co-conversion of methane and formaldehyde. Herein, twelve kinds of “Single-Atom”-“Frustrated Lewis Pair”(SA-FLP)dual-active-site catalysts are designed for the direct conversion of methane and formaldehyde to ethanol based on density functional theory(DFT) calculations and microkinetic simulations. The results show that the SA-FLP dual active sites can simultaneously activate methane at the SA site and activate formaldehyde at the FLP site. Among the twelve designed SA-FLP catalysts, Fe1-FLP shows the best performance in the co-conversion of methane and formaldehyde to ethanol with the rate-determining barrier of 1.15 e V.Ethanol is proved as the main product with the turnover frequency of 1.32 × 10^(-4)s^(-1)at 573 K and 3 bar.This work provides a universal strategy to design dual active sites on metal oxide materials and offers new insights into the effective conversion of methane and formaldehyde to desired C_(2) chemicals.

关键词： Single-atom Frustrated Lewis pairs Methane conversion Dual active sites Ethanol synthesis

Effect of solute Ce,Mn,and Si on mechanical properties of silicon steel:insights from DFT calculations

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Journal of Iron and Steel Research(International) 2024年第3期31卷 700-709页

作者： Xiang-jun Liu Ji-chun Yang Hui-ping Ren Xiao-bin Jia Ming-yi Zhang chang-qiao Yang School of Materials and Metallurgy Inner Mongolia University of Science and TechnologyBaotou 014010Inner MongoliaChina Key Laboratory of Integrated Exploitation of Bayan Obo Multi-Metal Resource Inner Mongolia University of Science and TechnologyBaotou 014010Inner MongoliaChina Inner Mongolia North Heavy Industries Group Co. Ltd.Baotou 014010Inner MongoliaChina Inner Mongolia Metal Material Research Institute Baotou 014010Inner MongoliaChina

The influence of solute Ce,Mn,and Si on the mechanical properties of silicon steel was investigated by first-principles calculation.Ce,Mn,and Si can all be solubilized in Fe matrix.Ce significantly reduces the incompressibility and rigidity of the system but also significantly improves the toughness and machinability.The effect of Mn on mechanical properties of the system is not obvious.Si has a significant effect on the improvement in incompressibility and rigidity but a limited effect on the improvement in toughness and machinability.The metallic bond strength of Fe-Ce,Fe-Mn,and Fe-Si doped systems is weaker than that of the pure Fe system,which can be used to explain the reduction in the incompressibility and rigidity of these doped systems.The relatively high electron cloud density in the doped system may be responsible for the increase in toughness.

关键词： Silicon steel Rare earth First-principles calculation Elastic modulus Electronic structure

A deep learning interatomic potential suitable for simulating radiation damage in bulk tungsten

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Tungsten 2024年第2期6卷 304-322页

作者： chang-Jie Ding Ya-Wei Lei Xiao-Yang Wang Xiao-Lin Li Xiang-Yan Li Yan-Ge Zhang Yi-chun Xu chang-Song Liu Xue-Bang Wu Key Laboratory of Materials Physics Institute of Solid State PhysicsHFIPSChinese Academy of SciencesHefei 230031China Science Island University of Science and Technology of ChinaHefei 230026China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China

So far, it has been a challenge for existing interatomic potentials to accurately describe a wide range of physical properties and maintain reasonable efficiency. In this work, we develop an interatomic potential for simulating radiation damage in body-centered cubic tungsten by employing deep potential, a neural network-based deep learning model for representing the potential energy surface. The resulting potential predicts a variety of physical properties consistent with first-principles calculations, including phonon spectrum, thermal expansion, generalized stacking fault energies, energetics of free surfaces, point defects, vacancy clusters, and prismatic dislocation loops. Specifically, we investigated the elasticity-related properties of prismatic dislocation loops, i.e., their dipole tensors, relaxation volumes, and elastic interaction energies. This potential is found to predict the maximal elastic interaction energy between two 1/2 loops better than previous potentials, with a relative error of only 7.6%. The predicted threshold displacement energies are in reasonable agreement with experimental results, with an average of 128 eV. The efficiency of the present potential is also comparable to the tabulated gaussian approximation potentials and modified embedded atom method potentials, meanwhile, can be further accelerated by graphical processing units. Extensive benchmark tests indicate that this potential has a relatively good balance between accuracy, transferability, and efficiency.

关键词： Machine learning Deep learning Interatomic potential Radiation damage Tungsten

Breaking the efficiency limitations of dissipative Kerr solitons using nonlinear couplers

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Science China(Physics,Mechanics & Astronomy) 2024年第3期67卷 88-94页

作者： Ming Li Xiao-Xiao Xue Yan-Lei Zhang Xin-Biao Xu chun-Hua Dong Guang-Can Guo chang-Ling Zou CAS Key Laboratory of Quantum Information University of Science and Technology of ChinaHefei 230026China CAS Centerfor Excellence in Quantum Information and Quantum Physics University of Science and Technology of ChinaHefei 230026China Department of Electronic Engineering Beijing National Research Center for Information Science and TechnologyTsinghua University Beijing 100084China

Dissipative Kerr solitons(DKS) have long been suffering from poor power conversion efficiency when driven by continuous-wave lasers. By deriving the critical coupling condition of a multimode nonlinear optics system in a generalized theoretical framework,two efficiency limitations of the conventional pump method of DKS are revealed: the effective coupling rate is too small and is also power-dependent. A general approach is provided to resolve this challenge by introducing two types of nonlinear couplers to couple the soliton cavity and CW input through nonlinear processes. The collective coupler opens multiple coupling channels and the self-adaptive coupler builds a power-independent effective external coupling rate to the DKS for approaching the generalized critical coupling condition, which promises near-unity power conversion efficiencies. For instance, a conversion efficiency exceeding 90% is predicted for aluminum nitride microrings with a nonlinear coupler utilizing second-harmonic generation. The mechanism applies to various nonlinear processes, including Raman and Brillouin scattering, and thus paves the way for micro-solitons toward practical applications.

关键词： Kerr frequency comb conversion efficiency nonlinear coupler

Enhanced Crystallization of Poly(butylene adipate-co-terephthalate)by a Self-assembly Nucleating Agent

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Chinese Journal of Polymer Science 2024年第5期42卷 663-674,I0010页

作者： Cheng Zhou Kun Chen Zi-Heng Zhang Meng-Fan Jing chun-Tai Liu chang-Yu Shen Ya-Ming Wang State Key Laboratory of Structural Analysis Optimization and CAE Software for Industrial EquipmentNational Engineering Research Center for Advanced Polymer Processing TechnologyZhengzhou UniversityZhengzhou450002China

Poly(butylene adipate-co-terephthalate)(PBAT)is a promising biodegradable flexible polymer but suffers from slow crystallization rate,making it less attractive for some applications like the injection-molded products in comparison with low-density polyethylene(LDPE).This work aimed to accelerate the crystallization of PBAT by adding a self-assembly nucleating agent octamethylenedicarboxylic dibenzoylhydrazide(OMBH).PBAT/OMBH composites with various OMBH contents(0 wt%,0.5 wt%,0.7 wt%,1 wt%,2 wt%,3 wt%and 5 wt%)were prepared through melt-mixing.The effect of OMBH on the crystallization behavior,morphologies and mechanical properties of PBAT was investigated.The highest nucleation efficiency value of 59.6%was achieved for PBAT with 0.7 wt%OMBH,much higher than that of 22.7%for PBAT with 0.7 wt%talc.Atomic force microscopy results showed that OMBH formed fine fibers and induced the formation of transcrystalline layers of PBAT.Fourier transform infrared spectroscopy(FTIR)combined with two-dimensional correlation spectra suggested that the intermolecular dipole-dipole N—H…O=C interactions but not hydrogen bond between OMBH and PBAT promoted the crystallization of PBAT in the initial period of crystallization.The presence of OMBH did not change the crystal form of PBAT but had positive contribution in enhancing its crystallinity and mechanical properties.This work is essential for preparing PBAT with high crystallization rate,enhancing its potential applications in injection-molded products.

关键词： Poly(butylene adipate-co-terephthalate) Biodegradable Self-assembly nucleating agent Crystallization