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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

Chinese Medicine Combined with Adjuvant Chemotherapy for Improving Myelosuppression in Colorectal Cancer Patients:A Systematic Review and Network Meta-Analysis

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Chinese Journal of Integrative Medicine 2024年第7期30卷 643-652页

作者： LI Rui ZHANG Tong yan Shao-hua yan Yun-zi DING Ya-cong wang yan-song yanG Yu-fei Department of Oncology China Academy of Chinese Medical SciencesXiyuan HospitalBeijing100091China Department of Oncology Dongfang Hospital Beijing University of Chinese MedicineBeijing100078China Graduate School Beijing University of Chinese MedicineBeijing100029China

Objective To assess the effectiveness of Chinese herbal medicine(CHM)combined with adjuvant chemotherapy on myelosuppression for colorectal cancer(CRC)patients using network meta-analysis(NMA).Methods Literature searches in both international(PubMed,Embase,Web of Science,and Cochrane Library)and Chinese(China Science and Technology Journal Database,Wanfang Data,China National Knowledge Infrastructure)databases for relevant randomized controlled trials(RCTs)were conducted from inception until October 10,*** included RCTs of patients who received CHM combined with chemotherapy,including FOLFOX,XELOX,FOLFIRI,and other relevant regimens in the CHM treatment *** outcomes included the incidence of myelosuppression,leukopenia,hemoglobin reduction,and *** reviewers independently screened the databases,extracted the data,and assessed the risk of bias and credibility of *** 5.4.1 software and STATA 14.0 were used to perform the *** A total of 31 RCTs were included,published from 2008 to 2021 in *** these,2,314 participants comparing the following 9 CHMs were identified:Shengbai Recipe(SBR),Bazhen Decoction(BZD),Jianpi Jiedu Recipe(JJR),Jianpi Recipe(JR),Compound Cantharis Capsule(CCC),Zaofan Pill(ZFP),Guilu Erxian Gel(GL),Buzhong Tiaogan Decoction(BZ),and Qiamagu Capsule(QM).The results of NMA found an indirect *** on the surface under the cumulative ranking curve(SUCRA),the ZFP+chemotherapy group had the lowest incidence of myelosuppression,with an odds ratio(OR)of 0.08[95%confidence interval(CI):0.01,0.76],whereas the GL+chemotherapy group had the lowest incidence of leukopenia,hemoglobin reduction,and thrombocytopenia,with an OR of 5.25(95%CI:2.41,11.43),4.66(95%CI:2.23,9.72),and 0.27(95%CI:0.13,0.54),***,BZD+chemotherapy could alleviate leukopenia,hemoglobin reduction,and thrombocytopenia(P<0.01).Pairwise comparison showed that there was no difference in the efficacy among the 8 CHMs+c

关键词： Chinese herbal medicine colorectal cancer network meta-analysis systematic review myelosuppression chemotherapy

Role of GA_3,GA_4 and Uniconazole-P in Controlling Gravitropism and Tension Wood Formation in Fraxinus mandshurica Rupr. var. japonica Maxim. Seedlings

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Journal of Integrative Plant Biology 2008年第1期50卷 19-28页

作者： Sha Jiang Ke Xu Yong-Zhou wang yan-Ping Ren song Gu College of Life Sciences Nankai University Tianjin 300071 China

GA3 and GA4 （gibberellins） play an important role in controlling gravitropism and tension wood formation in woody angiosperms. In order to improve our understanding of the role of GA3 and GA4 on xylem cell formation and the G-layer, we studied the effect of GA3 and GA4 and uniconazole-P, which is an inhibitor of GA biosynthesis, on tension wood formation by gravity in Fraxinus mandshurica Rupr. var. japonica Maxim. seedlings. Forty seedlings were divided into two groups; one group was placed upright and the other tilted. Each group was further divided into four sub-groups subjected to the following treatments： 3.43 x 10-9 lunol acetone as control, 5.78 x 10-8 lunol gibberellic acid （GA3）, 6.21 x 10-8 lunol GA4, and 6.86 x 10-8 lunol uniconazole-P. During the experimental period, GAs-treated seedlings exhibited negative gravitropism, whereas application of uniconazole-P inhibited negative gravitropic stem bending. GA3 and GA4 promoted wood fibers that possessed a gelatinous layer on the upper side, whereas uniconazole-P inhibited wood formation but did not inhibit the differentiation of the gelatinous layer in wood fibers on the upper side. These results suggest that：（i） both the formation of gelatinous fibers and the quantity of xylem production are important for the negative gravitropism in horizontally-positioned seedlings; （ii） GA3 and GA4 affect wood production more than differentiation of the gelatinous layer in wood fibers; G-layer development may be regulated by other hormones via the indirect-role of GA3 and GA4 in horizontally-positioned F. mandshurica seedlings rather than the direct effect of GAs; and （iii） the mechanism for upward wood stem bending is different to the newly developed shoot bending in reaction to gravity in this species.

关键词： GA3, GA4 gelatinous layer gravitropism Fraxinus mandshurica var. japonica Maxim. seedlings tension wood formation uniconazole-P.

Three-dimensional regulation of transcription

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Protein & Cell 2015年第4期6卷 241-253页

作者： Jun Cao Zhengyu Luo Qingyu Cheng Qianlan Xu yan Zhang Fei wang yan Wu Xiaoyuan song CAS Key Laboratory of Brain Function and Disease and School of Life Sciences University of Science and Technology ofChina Hefei 230027 China

Cells can adapt to environment and development by reconstructing their transcriptional networks to regulate diverse cellular processes without altering the underly- ing DNA sequences. These alterations, namely epige- netic changes, occur during cell division, differentiation and cell death. Numerous evidences demonstrate that epigenetic changes are governed by various types of determinants, including DNA methylation patterns, his- tone posttranslational modification signatures, histone variants, chromatin remodeling, and recently discovered chromosome conformation characteristics and non- coding RNAs （ncRNAs）. Here, we highlight recent efforts on how the two latter epigenetic factors participate in the sophisticated transcriptional process and describe emerging techniques which permit us to uncover and gain insights into the fascinating genomic regulation.

关键词： transcriptional regulation long non-coding RNAs three-dimensional chromosome interactions,epigenetic changes

Small modifications of endo-functionalized cavities lead to large changes in molecular interaction in water

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Science China Chemistry 2025年第1期68卷 369-376页

作者： song-Meng wang Hao Nian yan-Fang wang Li-Shuo Zheng Yu-Tao Zheng Yi-Wei Dong Liping Huang Xiaoping wang Wei Jiang Liu-Pan yang Department of Chemistry Southern University of Science and Technology School of Chemistry and Pharmaceutical Sciences State Key Laboratory for Chemistry and Molecular Engineering of Medicinal ResourcesGuangxi Normal University School of Pharmaceutical Science Hengyang Medical School University of South China

Studying molecular recognition in aqueous environments is crucial for understanding biological processes. Herein, we present a series of N-doped endo-functionalized anthracene-based cavities by introducing inward-directed pyridine units. The subtle modifications can significantly affect the binding properties of these receptors, which is similar to the mutations in biological systems. Combining theoretical calculations and molecular recognition experiments demonstrated that these “mutations” have an impact on the hydrophobicity and charge distribution of the hosts, consequently significantly influencing molecular *** is crucial for understanding the intricate mechanisms of molecular-level interactions in biological receptors.

关键词： host-guest interaction hydrophobic effect endo-functionalized cavity mutation pyridine

MoS_(2)Lubricate‑Toughened MXene/ANF Composites for Multifunctional Electromagnetic Interference Shielding

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Nano-Micro Letters 2025年第2期17卷 358-371页

作者： Jiaen wang Wei Ming Longfu Chen Tianliang song Moxi Yele Hao Zhang Long yang Gegen Sarula Benliang Liang Luting yan Guangsheng wang School of Physical Science and Engineering Beijing Jiaotong UniversityBeijing 100044People’s Republic of China Key Laboratory of Bio‑Inspired Smart Interfacial Science and Technology of Ministry of Education School of ChemistryBeihang UniversityBeijing 100191People’s Republic of China

The design and fabrication of high toughness electromagnetic interference(EMI)shielding composite films with diminished reflection are an imperative task to solve electromagnetic pollution *** MXene/ANF(aramid nanofibers)–MoS_(2)composite films with nacre-like layered structure here are fabricated after the introduction of MoS_(2)into binary MXene/ANF composite *** introduction of MoS_(2)fulfills an impressive“kill three birds with one stone”improvement effect:lubrication toughening mechanical performance,reduction in secondary reflection pollution of electromagnetic wave,and improvement in the performance of photothermal *** the introduction of MoS_(2)into binary MXene/ANF(mass ratio of 50:50),the strain to failure and tensile strength increase from 22.1±1.7%and 105.7±6.4 MPa and to 25.8±0.7%and 167.3±9.1 MPa,*** toughness elevates from 13.0±4.1 to 26.3±0.8 MJ m^(−3)(~102.3%)*** the reflection shielding effectiveness(SE_(R))of MXene/ANF(mass ratio of 50:50)decreases~10.8%.EMI shielding effectiveness(EMI SE)elevates to 41.0 dB(8.2–12.4 GHz);After the introduction of MoS_(2)into binary MXene/ANF(mass ratio of 60:40),the strain to failure increases from 18.3±1.9%to 28.1±0.7%(~53.5%),the SE_(R)decreases~22.2%,and the corresponding EMI SE is 43.9 *** MoS_(2)also leads to a more efficient photothermal conversion performance(~45 to~55℃).Additionally,MXene/ANF–MoS_(2)composite films exhibit excellent electric heating performance,quick temperature elevation(15 s),excellent cycle stability(2,2.5,and 3 V),and long-term stability(2520 s).Combining with excellent mechanical performance with high MXene content,electric heating performance,and photothermal conversion performance,EMI shielding ternary MXene/ANF–MoS_(2)composite films could be applied in many industrial *** work broadens how to achieve a balance between mechanical properties and versatility of composites in the case of high-function fillers.

关键词： MXene-MoS_(2) Lubrication toughening EMI shielding Photothermal conversion Electric heating performance

Effect of Yttrium Pre-Implantation on Implantation Behavior of Ti-6Al-4V Alloy in Nitrogen Plasma Immersion Ion Implantation

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Journal of Rare Earths 2001年第1期19卷 40-43页

作者：王浪平唐保茵王小锋王松岩 Harbin Inst. of Technol. Harbin 150001 China

In order to increase the peak depth of nitrogen atoms during the nitrogen plasma immersion ion implantation of Ti-6Al-4V alloy, the rare earth metal yttrium was applied. In the experiment, yttrium and nitrogen ions were implanted under the voltage of 20 and 30 kV, respectively. In the samples with yttrium pre-implantation for 30 min, the Anger electron spectroscopy (AES) analysis shows that the peak depth of the nitrogen atoms increases from 50 up to 100 nm. It can also be seen from the tribological tests that the wear resistance of these samples is increased remarkably.

关键词： rare earths yttrium plasma immersion ion implantation peak depth

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配电网单相接地故障的仿真分析

高电压技术 2008年第1期34卷 123-127,153页

作者：王艳松解飞中国石油大学信息与控制工程学院东营257062

为了提取配电网单相接地故障选线和故障测距的暂态故障特征量,基于Matlab的Simulink仿真环境,搭建了小电流接地系统的配电网络仿真模型并综合考虑不同短路时刻、不同接地电弧电阻、不同故障距离和线路长度等多个因素,对配电网小电流接... 详细信息

为了提取配电网单相接地故障选线和故障测距的暂态故障特征量,基于Matlab的Simulink仿真环境,搭建了小电流接地系统的配电网络仿真模型并综合考虑不同短路时刻、不同接地电弧电阻、不同故障距离和线路长度等多个因素,对配电网小电流接地系统的单相接地故障进行了大量仿真。在配电网单相接地短路故障后的第1个工频周波(0～0.02s)内故障线路的零序电流包络线的变化速度比非故障线路变化缓慢,包络面积大,但与非故障线路首半波极性相反。仿真分析表明此暂态特性不受短路时刻、电弧电阻、故障距离和消弧线圈被偿度的影响,为单相接地故障选线和故障测距的研究提供了理论依据。

关键词：配电网仿真模型零序电流单相接地故障补偿度故障相电压