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Theoretical chemistry study of inter-molecular interaction between acylamine compounds and chloromethane

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Theoretical chemistry study of inter-molecular interaction b...

中国化学会第九届全国量子化学学术会议

作者： ge qing-yu wang hai-jun chen jian-hua School of Chemical and Material Engineering, Southern Yangtze University , Wuxi, 214036

＜正＞1. Introduction Recently, Peng Wen Lie et al. have reported N, N-dimethylformamide （DMF） could form stable charge transfer complex （CTC） with HCC13 under low temperature. Zheng Kang-cheng et al. studied DMF-HnCCl4-n（n=1-3） CTC with HF/6-31G method. However, the characters of N, N-dimethylacetamide（DMA）-HnCCl4-n（n=1-3） and N, N-diethylformamide（DEF）-HmCCl4-n（n=1-3） interaction systems have not been studied with either experimental or theoretical method. As a part of our research on charge-transfer complexes, DMA-HmCCl4-n（n=1-3） and DEF-HnCCl4-n（n=1-3）

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霉变烟叶的GC-MS和FTIR分析及鉴别

光谱学与光谱分析 2025年第1期45卷 88-94页

作者：叶艳青张海瑜沈迪乐志伟吴玉萍孔光辉张建荣田孟玉陈建华张承明王晋云南民族大学化学与环境学院云南昆明650504 云南中烟工业责任公司技术中心云南昆明650106 红云红河烟草(集团)有限责任公司昆明卷烟厂云南昆明650231 云南省烟草农业科学研究院云南昆明650031

采用GC-MS和FTIR分析,结合PCA、PLS等多元分析方法,对霉变烟叶进行评价鉴别。GC-MS分析筛选得到2-乙基己醇等9个烟叶霉变标记物。通过4-羟基丁酸内酯等9个关键化合物构建的线性判别方程,可以实现烟叶霉变准确识别,初始验证准确率100%和... 详细信息

采用GC-MS和FTIR分析,结合PCA、PLS等多元分析方法,对霉变烟叶进行评价鉴别。GC-MS分析筛选得到2-乙基己醇等9个烟叶霉变标记物。通过4-羟基丁酸内酯等9个关键化合物构建的线性判别方程,可以实现烟叶霉变准确识别,初始验证准确率100%和留一交叉验证准确率为98.7%。FTIR研究表明,烟叶霉变过程中消耗了烟叶大量的碳水化合物、蛋白质和脂质等。GC-MS和FTIR,分别结合PCA和PLS-DA能实现霉变烟叶的有效判别。

关键词：霉变烟叶气相色谱-质谱联机傅里叶变换红外光谱多元统计分析

Thermal hazard assessment of TKX-50-based melt-cast explosive

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Defence Technology（防务技术） 2022年第9期18卷 1546-1551页

作者： jun-feng wang Shu-sen chen Shao-hua Jin qing-hai Shu Feng-lei huang jian Ruan Xiao Ma Kun chen School of Materials Science and Engineering Beijing Institute of TechnologyBeijingChina State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijingChina Gansu Yinguang Chemical Industry Group Co.Ltd BaiyinChina

In the present study, thermal hazards of TNT and DNAN used as the molten binder in TKX-50-based meltcast explosives were comparatively studied through accelerating rate calorimeter(ARC) and Cook-off experiments. Two kinds of ARC operation modes were performed to investigate the thermal safety performance under adiabatic conditions(HWS mode) and constant heating(CHR mode). The obtained results demonstrated that at both heating modes, DNAN/TKX-50 outperformed TNT/TKX-50 from the thermal safety point of view. However, the sensitivity to heat of the samples was reverse because of the different heating modes. In addition, the results of thermal hazard assessment obtained from the cookoff experiment complied with ARC analysis which indicated the molten binder TNT replaced by DNAN would reduce the hazard of the TKX-50 melt cast explosive. Furthermore, the results of cook-off experiments also showed that DNAN/TKX-50 outperformed TNT/TKX-50 from the aspect of thermal stability, which was consistent with the result of CHR mode because of the similar heating process.

关键词： Dihydroxylammonium 5,5’-bistetrazole-1,1’-diolate(TKX-50) 2,4-Dinitroanisole(DNAN) Thermal safety performance Accelerating rate calorimeter(ARC) Cook-off

Notably Accelerated Nano-Bainite Transformation via Increasing Undissolved Carbides Content on GCr15Si1Mo Bearing Steel

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Acta Metallurgica Sinica(English Letters) 2024年第4期37卷 703-712页

作者： Yan-Hui wang hua-Qiang Sun Wen-Jing Feng Lei-Jie Zhao Xiang chen qing-An chen hai-Tao Sun jian-jun wang Zhi-Nan Yang Key Laboratory of Intelligent Industrial Equipment Technology of Hebei Province School of Mechanical and Equipment EngineeringHebei University of EngineeringHandan056038China Collaborative Innovation Center for Modern Equipment Manufacturing of Jinan New Area Hebei University of EngineeringHandan056038China School of Materials Science and Engineering Tsinghua UniversityBeijing100084China Avic Shang da Superalloys Company Limited Xingtai054800China National Engineering Research Center for Equipment and Technology of Cold Strip Rolling Yanshan UniversityQinhuangdao066004China

In this study, a high-carbon nano-bainitic GCr15Si1Mo bearing steel was investigated. Specifically, the effects of content and size of undissolved carbides on the microstructure and transformation kinetics of nano-bainite were analyzed. The results demonstrated that after prolonged austempering at low temperatures, the mixed microstructure composed of nano-bainite (NB), undissolved carbides (UC), and retained austenite (RA) was obtained in GCr15SiMo steel. When the experimental steel was austenitized at 900 ℃, the undissolved carbides gradually dissolved until reaching a stable state with increasing holding time. Furthermore, at the same austempering temperature, despite different volume fractions of undissolved carbides in the substrate, the volume fractions of nano-bainite in the final microstructures remained essentially the same. Moreover, the higher the content of undissolved carbides in steel, the faster the transformation rate of nano-bainite and the shorter the total transformation time.

关键词： Nano-bainite Undissolved carbides Bainitic transformation kinetics Carbon concentration

Herbicidal activity of Aureobasidium pullulans PA-2 on weeds and optimization of its solid-state fermentation conditions

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Journal of Integrative Agriculture 2020年第1期19卷 173-182页

作者： GUO qing-yun chenG Liang ZHU hai-xia LI Wei WEI You-hai chen Hong-yu GUO Liang-zhi WENG hua wang jian Academy of Agriculture and Forestry Sciences Qinghai UniversityXining 810016P.R.China Key Laboratory of Agricultural Integrated Pest Management in qinghai Province Xining 810016P.R.China Scientific Observing and Experimental Station of Crop Pests in Xining Ministry of Agriculture and Rural AffairsXining 810016P.R.China State Key Laboratory of Plateau Ecology and Agriculture Qinghai UniversityXining 810016P.R.China

Fungal strain PA-2 was isolated from infected poplar leaves from the Ping’an District, haidong City of qinghai Province, China. Based on the culture characteristics and the internal transcribed spacer(ITS) sequence of its 16S r DNA, the strain was identified as Aureobasidium pullulans. The culture and metabolites of strain PA-2 showed high herbicidal potential to five tested weeds Galium aparine var. tenerum, chenopodium album, Malva crispa, Polygonum lapathifolium and Avena fatua. For the in vitro test, 5 days after the detached leaves were inoculated with PA-2 culture, all leaves infected by the hyphae and became black and rotten. For the in vivo test, a metabolite filtrate of PA-2 culture was sprayed over the living weed plants, and five days after inoculation, the weed plants became withered and necrotic. Seven days after inoculation, the fresh weight reductions of G. aparine var. tenerum, C. album, M. crispa, P. lapathifolium and A. fatua were 87.25, 78.46, 82.25, 62.11, and 80.27%, respectively. Galium aparine var. tenerum and M. crispa exhibited significant reductions in fresh weight. The bio-safety test on the five crops showed no significant plant height reductions, which was also observed for wheat(Triticum aestivum), faba bean(Vicia faba), and barley(Hordeum vulgare). By contrast, oilseed rape(Brassica napus) and pea(Pisum sativum) exhibited light spots but no significant reductions in plant height. These results indicated that A. pullulans could be a potential microbial herbicide for the control of the target weeds in crops. Optimization of the carbon and nitrogen sources for cultural media and substances for solid-state fermentation indicated that PA-2 had better colony growth and spore production with the optimal carbon source of glucose(C4), nitrogen source of soybean flour(N2), and the optimal substance was wheat bran. The results in this study provide useful information for the development ofA. pulluans PA-2 as an herbicide for bio-control of the we

关键词： A.pullulans weeds biological control crop safety optimum media condition

New First-line Immunotherapy-based Therapies for Unresectable Hepatocellular Carcinoma: A Living Network Meta-analysis

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Journal of Clinical and Translational Hepatology 2024年第1期12卷 15-24页

作者： jian-jian chen Zhi-cheng Jin Biao Luo yu-qing wang Rui Li hai-Dong Zhu Gao-jun Teng Center of Interventional Radiology&Vascular Surgery Department of RadiologyZhongda HospitalMedical SchoolSoutheast UniversityNanjingJiangsuChina

Background and Aims:Several first-line immune checkpoint inhibitor(ICI)-based combination therapies have been identified for unresectable hepatocellular carcinoma(uHCC).This network meta-analysis(NMA)aimed to provide the most updated evidence about the preferred first-line ICI-based regimens for ***:A comprehensive literature search was performed in various databases from database inception to May *** phase 3 trials evaluating first-line single-agent ICIs,molecular-target agents(MTAs),or their combinations in uHCC were *** main endpoints were overall survival(OS)and progression-free survival(PFS).Pooled effect estimates were calculated using a random effects model within the frequentist *** analyses based on etiology were also ***:Twelve trials at low risk of bias with 8,275 patients comparing 13 treatments were *** with atezolizumab plus bevacizumab was comparable to sintilimab plus IBI305[hazard ratio(HR):1.16;95%confidence interval(CI):0.80–1.68]and camrelizumab plus apatinib(HR:1.06;95%CI:0.75–1.51).The combination therapies,apart from atezolizumab plus cabozantinib in OS and durvalumab plus tremelimumab in PFS,had higher P-score than single-agent MTAs or *** survival benefits were associated with a high risk of adverse events leading to treatment *** proportion of patients with hepatitis B virus-related HCC receiving ICIs combinations might positively correlate with survival advantages(R2=0.8039,p=0.0155).Conclusion:This NMA demonstrated that atezolizumab plus bevacizumab remains the stand of care and confers comparable survival benefits to sintilimab plus IBI305 and camrelizumab plus apatinib in first-line therapy for *** optimal treatment algorithms should consider efficacy,safety,and etiology.

关键词： Hepatocellular carcinoma Systemic therapy Immunotherapy Molecular targeted therapy Tyrosine protein kinase inhibitors Overall survival

Effect and Mechanism of Ganoderma lucidum Polysaccharides on Human Fibroblasts and Skin Wound Healing in Mice

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Chinese Journal of Integrative Medicine 2019年第3期25卷 203-209页

作者： HU Feng YAN yu wang Chu-wang LIU yu wang Jing-jing ZHOU Fang ZENG qing-hai ZHOU Xiao chen Jia wang Ai-jun ZHOU jian-da Department of Plastic Surgery the Third Xiangya Hospital of Central South University Xiangya School of Medicine Central South University Department of Head and Neck Surgery Hunan Province Cancer Hospital Department of Surgery Davis Health System University of California

Objective: To investigate the effects of Ganoderma lucidum polysaccharides(GL-PS) on human fibroblasts and skin wound healing in Kunming male mice and to explore the putative molecular mechanism. Methods: Primary human skin fibroblasts were cultured. The viability of fibroblasts treated with 0, 10, 20, 40, 80, and 160 μg/mL of GL-PS, respectively were detected by 3-4,5-dimethyl-2-thiazolyl-2,5-diphenyl-2-Htetrazolium bromide(MTT). The migration ability of fibroblasts treated with 0, 10, 20, and 40 μg/mL of GL-PS were measured by transwell assay. The secretion of the C-terminal peptide of procollagen type Ⅰ(CICP) and transforming growth factor-β1(TGF-β1) in the cell supernatant was tested by enzyme-linked immunosorbent assay. The expression of β-catenin was detected by Western blot. Furthermore, the Kunming mouse model with full-layer skin resection trauma was established, and was treated with 10, 20, and 40 mg/mL of GL-PS, respectively as external use. The size of the wound was measured daily, complete healing time in each group was recorded and the percentage of wound contraction was calculated. Results: Compared with the control group, 10, 20, and 40 μg/mL of GL-PS significantly increased the viability of fibroblasts, promoted the migration ability of fibroblasts, and up-regulated the expressions of CICP and TGF-β1 in fibroblasts(P<0.05 or P<0.01). The expression of β-catenin in fibroblasts treated with 20 and 40 μg/mL of GL-PS was significantly higher than that of the control group(P<0.01). Furthermore, after external use of 10, 20, and 40 mg/mL of GL-PS, the rates of wound healing in mice were significantly higher and the wound healing time was significantly less than the control group(P<0.05 or P<0.01). Conclusion: A certain concentration of GL-PS may promote wound healing via activation of the Wnt/β-catenin signaling pathway and up-regulation of TGF-β1, which might serve as a promising source of skin wound healing.

关键词： Ganoderma lucidum polysaccharides human fibroblast wound healing transforming growth factor-β 1 Wnt/β -catenin signaling pathway

Outgassing analysis of molecular glass photoresists under EUV irradiation

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Science China Chemistry 2014年第12期57卷 1746-1750页

作者： chen Li XU jian yuAN hua YANG Shu Min wang Lian Sheng WU Yan qing ZHAO jun chen Ming LIU hai Gang LI Sha yu TAI Ren Zhong wang Shuang qing YANG Guo Qiang Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Photochemistry Institute of Chemistry Chinese Academy of Sciences Shanghai Synchrotron Radiation Facility Shanghai Institute of Applied Physics Chinese Academy of Sciences

A device was designed and assembled to analyze the outgassing of molecular glass(MG)photoresists under extreme ultraviolet(EUV)*** outgassing of the photoresists with different components and different concentrations of tert-butoxycarbonyl(t-Boc),photo-generated acid(PAG),and acid quencher was systematically *** on experiments,some solutions for reducing the outgassing of MG photoresists were proposed.

关键词： photoresist EUV lithography molecular glass outgassing

Manganese carbonate stromatolites of the Ediacaran Doushantuo Formation in chengkou,northern Yangtze Craton,China

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Journal of Palaeogeography 2021年第3期10卷 356-381页

作者： Yi Zhang jian Li Long chen Yi Wei Qiang Shi Dong-ge wang qing-Ming Wu Liao-yuan Song Meng Tian Hong-Wei Kuang Yong-qing Liu Kaarel Mänd hua-qing Bai Zi-Liang Liu yu-Chong wang Da-Wei Qiao Wen-jun Zhu No.205 geological Team Chongqing Bureau of Geology and Minerals ExplorationChongqing 402160China Institute of geology Chinese Academy of Geological SciencesBeijing 100037China Department of Earth and Atmospheric Sciences University of AlbertaEdmontonAlberta T6G 2E8Canada Department of geology University of TartuTartu 50411Estonia State Key Laboratory of Oil and Gas Reservoir geology and Exploitation Chengdu University of TechnologyChengdu 610059Sichuan ProvinceChina PetroChina Xinjiang Oilfield Company Karamay 834099Xinjiang Uygur Autonomous RegionChina

The origin process of manganese ores remains unsolved *** the origins of stromatolites that contain manganese may be a key to deciphering the sedimentary environments and metallogenic processes of these ***,only a few manganese stromatolites have been discovered and described until *** are well developed in the manganese deposits,located near the top of the Ediacaran Doushantuo Formation in chengkou area of Chongqing,northern Yangtze Craton,but has not been explicitly studied;and whether they are true stromatolites or Epiphyton microbialites remains *** on field and core observations and thin section microscopy,the characteristics of five types of manganese stromatolites and their growth modes are described in detail in this *** results show that these stromatolites grew in a biostrome in shoal and lagoon environments and were syngenetic with oncolites and oolites on a carbonate ramp behind the *** stromatolites can be categorized into three forms:(1)stratiform;(2)columnar,which includes branched and columnar types;and(3)stratiform-columnar,which is a transitional *** on a criterion that the diameter is less than or greater than 1 mm,columnar stromatolites are further divided into micro-columnar(1 mm)columns,which display synchronous growth and are similar to *** shapes are mainly controlled by water depths and hydrodynamic *** greater the water depth,the more columnar the columns tend to *** strong hydrodynamic conditions decrease the growth rate of stromatolites,and they even stopped growth due to wave ***,pillared laminar textures(not Epiphyton),which consist of dendritic,micro-branched and microcolumnar stromatolites,are a common feature of the larger stratiform,stratiform-columnar and columnar *** alternations of laminae with different internal textures record subtle fluctuations in wat

关键词： Microbialites Manganese stromatolites Ediacaran Doushantuo Formation Yangtze Craton Growth mode