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Theoretical Study on the Triplet-sensitized Photolysis of 2,5-Dimethylfuran

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Chinese Journal of Structural Chemistry 2005年第10期24卷 1145-1151页

作者： wang yan-xia ye song Department of Chemistry Yunnan University Kunming 650091 China

In the present work, the triplet-sensitized photolysis of 2,5-dimethylfuran has been investigated with the complete active space SCF （CASSCF） molecular orbital method. Two different reaction routes through diradical and carbene intermediates respectively have been systematically studied, and the reaction via carbene intermediate is the major part well compatible with experiment. Geometries of minima and transition states on S0T1 surface were fully optimized at the CAS level with a 6-31G^＊ basis set. A multireference MP2 algorithm that has been implemented in Gaussian was used to correct the energetics for dynamic correlation. Four intersystem crossing points have been located and discussed, and two of them are efficient. Our computation indicates that the reaction must occur on the triplet-excited state.

关键词： CASSCF photolysis intersystem crossing point reaction path

Theoretical Study of the Photochemical Reaction Mechanism of Bicyclo[4.1.0]heptane

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Chemical Research in Chinese Universities 2006年第4期22卷 520-523页

作者： wang yan-xia ye song Department of Chemistry Yunnan University Kunming 650091 P. R. China

The photochemical reaction of bicyclo[4.1.0]heptane was studied at the complete active space SCF（CASSCF） level with a 6-31G^＊ basis set. A muhireference MP2 algorithm that has been implemented in the Gaussian program was used to correct the energetics for the dynamic correlation. Starting from the Franck-Condon excitation of bicyclo [ 4.1.0 ] heptane, the reaction is via two bonds＇ breakage to give rise to 1,6-heptdiene. One internal conversion （IC） and two intersystem crossing points（ISC） were located and are discussed separately. The reaction proceeds to its own characteristic product on the ground state.

关键词： CASSCF Intersystem crossing Photochemical reaction mechanism Internal conversion Bicyclo-[ 4.1.0 ] heptane 1-6 Heptadiene

Dissecting the cell microenvironment of ovarian endometrioma through single-cell RNA sequencing

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Science China Life Sciences 2025年第1期68卷 116-129页

作者： Jiangpeng Wu Siyu xia Wenting ye yan Sun Jing Cai Fubing Yu Haiping Wen Xiuwei Yi Taikang Li Mingwei Chen Jiayun Chen Ge song Chuanbin yang Yali song Jigang wang Department of Reproductive Medicine Dongguan Maternal and Child Health Care Hospital Department of Urology and Shenzhen Clinical Research Centre for GeriatricsShenzhen People's HospitalSouthern University of Science and Technology State Key Laboratory for Quality Ensurance and Sustainable Use of Dao-di Herbs Artemisinin Research Centerand Institute of Chinese Materia MedicaChina Academy of Chinese Medical Sciences Reproductive Medicine Center Foshan Women and Children Hospital State Key Laboratory of Antiviral Drugs School of PharmacyHenan University

Ovarian endometrioma（OE）, also known as “chocolate cysts,” is a cystic mass that develops in the ovaries due to endometriosis and is a common gynecological condition characterized by the growth of endometrial tissue outside the uterus, leading to symptoms such as dysmenorrhea, pelvic pain, and infertility. However, the precise molecular and cellular mechanisms driving this pathophysiology remain largely unknown, posing challenges for diagnosis and treatment. Here, we employed integrated single-cell transcriptomic profiling of over 52,000 individual cells from endometrial tissues of OE patients and healthy donors and identified twelve major cell populations. We identified notable alterations in cell type-specific proportions and molecular signatures associated with OE. Notably, the activation of IGFBP5+macrophages with pro-inflammatory properties, NK cell exhaustion, and aberrant proliferation of IQCG+and KLF2+epithelium are key features and may be the potential mechanisms underlying the pathogenesis of OE. Collectively, our data contribute to a better understanding of OE at the single cell level and may pave the way for the development of novel therapeutic strategies.

关键词： ovary high-throughput sequencing transcriptomics gene expression analysis ligand-receptor analysis

Can patients with mild non-neoplastic lesions diagnosed at baseline screening be safely exempt from surveillance: evidence from multicenter community-based cohorts

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Science China Life Sciences 2025年第1期68卷 263-271页

作者： Siyi He Zhiyi Zhang Guohui song Zhenhai wang Chunyun Dai Shipeng yan Kun Jiang Bingbing song He Li Maomao Cao Dianqin Sun Fan yang Xinxin yan Shaoli Zhang Yi Teng Qianru Li Changfa xia Wanqing Chen Office of Cancer Screening National Cancer Center/National Clinical Research Center for Cancer/Cancer HospitalChinese Academy of Medical Sciences and Peking Union Medical College Department of Gastroenterology Gansu Wuwei Tumor Hospital Cixian Cancer Institute Linzhou Cancer Hospital Center for Disease Control and Prevention of Sheyang County Department of Cancer Prevention and Control Hunan Cancer Hospital and The Affiliated Cancer Hospital of Xiangya School of MedicineCentral South University Luoshan Center for Disease Control and Prevention Office for Cancer Control and Research Affiliated Cancer Hospital of Harbin Medical University

Surveillance recommendations for gastric cancer（GC） in current guidelines focused on advanced precancerous lesions and were based on precise diagnosis of severity/extent of baseline lesions. We aimed to develop a less endoscopy-related equipment-dependent risk-stratification tool, and assessed whether mild-precursor-lesion patients can be safely exempt from surveillance. In the multicenter communitybased cohort, 75,051 participants receiving baseline endoscopy were enrolled during 2015–2017 and followed-up until 2021. Cumulative incidence rates（CIRs） of GC for precancerous-conditions were calculated by Kaplan-Meier method and compared by Log-rank tests. Mixedeffects Cox regression models were used to detect potential factors for progression towards GC. A risk score was calculated as counts of selected factors. An independent cohort, including 26,586 participants was used for external validation. During a median follow-up of 6.25 years, CIRs of GC were 0.302%, 0.436%, and 4.756% for normal group, non-neoplastic（atrophic gastritis/intestinal metaplasia） and neoplastic lesions（low-grade/high-grade dysplasia）, respectively(Ptrendyears, smoking, and limited vegetable consumption, were selected for risk-stratification. High-risk patients（≥3 risk factors） with non-neoplastic lesions showed higher GC risks（adjusted HR=7.73, 95%CI: 4.29–13.92）, and their four-year CIR reached the one-year CIR of neoplastic lesions. Further categorizing non-neoplastic lesions by histological grade, both patients with moderate-to-severe lesions（aHR=3.07, 95%CI: 1.67–5.64） and high-risk patients with mild lesions（aHR=7.29, 95%CI: 3.58–14.86） showed higher risks. Consistent trends were observed in validation cohort. High-risk mild-precursor-lesion patients should receive surveillance within 3–5 years after baseline screening. Our study provides evidence on supplementing current guideline recommendations.

关键词： stomach neoplasms precancerous conditions cancer screening cumulative incidence risk stratification

Epigenetics in the modern era of crop improvements

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Science China Life Sciences 2025年

作者： yan Xue xiaofeng Cao xiangsong Chen xian Deng Xingwang Deng Yong Ding Aiwu Dong Chengguo Duan xiaofeng Fang Lei Gong Zhizhong Gong xiaofeng Gu Chongsheng He Hang He Shengbo He Xinjian He yan He Yuehui He Guifang Jia Danhua Jiang Jianjun Jiang Jinsheng Lai Zhaobo Lang Chenlong Li Qing Li Xingwang Li Bao Liu Bing Liu xiao Luo Yijun Qi Weiqiang Qian Guodong Ren Qingxin song xianwei song Zhixi Tian Jiawei wang Yuan wang Liang Wu Zhe Wu Rui xia Jun xiao Lin Xu Zhengyi Xu Wenhao yan Hongchun yang Jixian Zhai Yijing Zhang Yusheng Zhao Xuehua Zhong Daoxiu Zhou Ming Zhou Yue Zhou Bo Zhu Jiankang Zhu Qikun Liu College of Life Sciences Institute of Life Science and Green Development Hebei University Biotechnology Research Institute Chinese Academy of Agricultural Sciences College of Biology Hunan Key Laboratory of Plant Functional Genomics and Developmental Regulation Hunan Engineering and Technology Research Center of Hybrid Rapeseed Hunan University Institute of Advanced Agricultural Sciences School of Advanced Agricultural Sciences Peking University State Key Laboratory for Conservation and Utilization of Subtropical Agro-Bioresources Guangdong Laboratory for Lingnan Modern Agriculture South China Agricultural University National Institute of Biological Sciences Key Laboratory of Seed Innovation Institute of Genetics and Developmental Biology Chinese Academy of Sciences School of Advanced Agricultural Sciences Peking-Tsinghua Center for Life Sciences Peking University Synthetic and Functional Biomolecules Center Beijing National Laboratory for Molecular Sciences Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of Education College of Chemistry and Molecular Engineering Peking University Key Laboratory of Seed Innovation State Key Laboratory of Plant Genomics and National Center for Plant Gene Research Institute of Genetics and Developmental Biology Chinese Academy of Sciences State Key Laboratory of Wheat Improvement Peking University Institute of Advanced Agricultural Sciences Shandong Laboratory of Advanced Agricultural Sciences in Weifang State Key Laboratory of Crop Stress Adaptation and Improvement School of Life Sciences Henan University State Key Laboratory of Maize Bio-breeding National Maize Improvement Center Department of Plant Genetics and Breeding China Agricultural University Frontiers Science Center for Molecular Design Breeding China Agricultural University Center for Crop Functional Genomics and Molecular Breeding China Agricultural University Sanya Institute of China Agricultural University Hainan Yazhou Bay Seed Laboratory Institute of Advan

Epigenetic mechanisms are integral to plant growth, development, and adaptation to environmental stimuli. Over the past two decades,our comprehension of these complex regulatory processes has expanded remarkably, producing a substantial body of knowledge on both locus-specific mechanisms and genome-wide regulatory patterns. Studies initially grounded in the model plant Arabidopsis have been broadened to encompass a diverse array of crop species, revealing the multifaceted roles of epigenetics in physiological and agronomic traits. With recent technological advancements, epigenetic regulations at the single-cell level and at the large-scale population level are emerging as new focuses. This review offers an in-depth synthesis of the diverse epigenetic regulations, detailing the catalytic machinery and regulatory functions. It delves into the intricate interplay among various epigenetic elements and their collective influence on the modulation of crop traits. Furthermore, it examines recent breakthroughs in technologies for epigenetic modifications and their integration into strategies for crop improvement. The review underscores the transformative potential of epigenetic strategies in bolstering crop performance, advocating for the development of efficient tools to fully exploit the agricultural benefits of epigenetic insights.

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An improved model combining machine learning and Kalman filtering architecture for state of charge estimation of lithium-ion batteries

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Green Energy and Intelligent Transportation 2024年第4期3卷 1-11页

作者： yan Li Min ye Qiao wang Gaoqi Lian Baozhou xia National Engineering Research Center for Highway Maintenance Equipment Chang'an UniversityXi'an710064China Chair for Electrochemical Energy Conversion and Storage Systems Institute for Power Electronics and Electrical Drives(ISEA)RWTH Aachen UniversityAachen52062Germany

Accurate state of charge(SOC)estimation of lithium-ion batteries is a fundamental prerequisite for ensuring the normal and safe operation of electric vehicles,and it is also a key technology component in battery management *** recent years,lithium-ion battery SOC estimation methods based on data-driven approaches have gained significant ***,these methods commonly face the issue of poor model generalization and limited *** address such issues,this study proposes a closed-loop SOC estimation method based on simulated annealing-optimized support vector regression(SA-SVR)combined with minimum error entropy based extended Kalman filter(MEE-EKF)***,a probability-based SA algorithm is employed to optimize the internal parameters of the SVR,thereby enhancing the precision of original SOC ***,utilizing the framework of the Kalman filter,the optimized SVR results are incorporated as the measurement equation and further processed through the MEE-EKF,while the ampere-hour integral physical model serves as the state equation,effectively attenuating the measurement noise,enhancing the estimation accuracy,and improving generalization *** proposed method is validated through battery testing experiments conducted under three typical operating conditions and one complex and random operating condition with wide temperature variations under only one condition *** results demonstrate that the proposed method achieves a mean absolute error below 0.60%and a root mean square error below 0.73%across all operating conditions,showcasing a significant improvement in estimation accuracy compared to the benchmark *** high precision and generalization capability of the proposed method are evident,ensuring accurate SOC estimation for electric vehicles.

关键词： Lithium-ion battery State of charge estimation Support vector regression Simulated annealing optimization Kalman filter

Severe bacteremia community-acquired methicillinresistant Staphylococcus aureus pneumonia in a young adult

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World Journal of Emergency Medicine 2020年第4期11卷 263-266页

作者： Dan-li Cai xia-qing Zhou ye-song wang Ling-cong wang Department of ICU the First Affi liated Hospital of Zhejiang Chinese Medical UniversityHangzhouChina Department of Critical Care Medicine the Second Affi liated Hospital of Zhejiang University School of MedicineHangzhouChina

Dear editor,Adults with community-acquired methicillin-resistant Staphylococcus aureus(CA-MRSA)are prone to necrotizing pneumonia,bacteremia,and high *** studies have reported the disease worldwide,but only a few cases of CA-MRSA pneumonia in children and adolescents have been reported in China.[1]No CA-MRSA was detected in the pathogens of community-acquired respiratory tract infections in Chinese adults from 2009 to *** the influenza epidemic,such as COVID-19,viral infections are followed by repeated bacterial infections,and methicillin-sensitive Staphylococcus aureus(MSSA)and MRSA pneumonia are known complications.[2]Thus,identifying and treating these infections is a tricky clinical issue.A case of CA-MRSA pneumonia with bloodstream infection and pneumothorax was successfully treated in our hospital in January ***,we presented a case report based on previous studies.

关键词： pneumonia methicillin mortality

Interaction of fluid dynamic factors in the migration and accumulation of natural gas

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Chinese Science Bulletin 2002年第14期47卷 1207-1211页

作者： song yan xia Xinyu wang Zhenliang wang Yi HU Shengbiao Research Institute of Petroleum Exploration and Development Beijing 100083China Institute of Geochemistry Chinese Academy of SciencesGuiyang 550002China Northwest University Xi’an 710069China Chinese University of Petroleum Dongying 257062China Institute of Geology Chinese Academy of SciencesBeijing 100029China

The migration of fluid petroleum gas, described as fluid potential, depends only on gravity, fluid pressure controlled by depression and capillary force during tectoni-cally stable period; but on tectonic stress during the tectoni-cally active period with severe compression. This method is applied in the Junggar Basin, showing that the migration of Jurassic gas during Cretaceous and Eocene and the migration of Permian gas from Jurassic till the present are determined by capillary force and fluid pressure (including overpressure) which is controlled by depression; the migration of Jurassic gas from Eocene till the present and the migration of Permian gas during Triassic are controlled by tectonic stress.

关键词： petroleum migration fluid potential tectonic stress fluid pressure Junggar Basin.

Unidirectional acoustic metamaterials based on nonadiabatic holonomic quantum transformations

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Science China(Physics,Mechanics & Astronomy) 2022年第2期65卷 30-38页

作者： JinLei Wu Shuai Tang yan wang xiaoSai wang JinXuan Han Cheng Lü Jie song ShiLei Su yan xia YongYuan Jiang School of Physics Harbin Institute of TechnologyHarbin 150001China School of Physics and Microelectronics Zhengzhou UniversityZhengzhou 450001China Department of Physics Fuzhou UniversityFuzhou 350002China

Nonadiabatic holonomic quantum transformations(NHQTs)have attracted wide attention and have been applied in many aspects of quantum computation,whereas related research is usually limited to the field of quantum *** we bring NHQTs into constructing a unidirectional acoustic metamaterial(UDAM)for shaping classical *** UDAM is made up of an array of three-waveguide couplers,where the propagation of acoustic waves mimics the evolution of *** excellent agreement among analytical predictions,numerical simulations,and experimental measurements confirms the great applicability of NHQTs in acoustic metamaterial *** present work extends research on NHQTs from quantum physics to the field of classical waves for designing metamaterials with simple structures and may pave a new way to design UDAMs that would be of potential applications in acoustic isolation,communication,and stealth.

关键词： acoustic metamaterial waveguide coupler holonomic quantum transformation