Studies on structures and properties of glycerol and 3-hydroxypropionaldehyde by density function theory method

采用密度泛函理论(dfT)广义梯度近似(ggA)-VWnbP水平和dnd基组研究了甘油和3-羟基丙醛的全优化几何构型、电子结构、福井前线轨道和热力学性质,为研究该类化合物的结构与性质关系提供理论依据,为甘油脱水酶结构改造和分子设计提供配体数据.In this paper,the glycerol and 3-hydroxypropionaldehyde structures is modeled by using density function theory(DFT) method at the level of(GGA)-VWNBP and the DND basis set.Then their geometrical structures,electronic structures,Fukui frontier orbital and thermodynamics properties have been computed providing theoretical basis for the study of the structure and activity relationship of these compounds.国家自然科学基金资助项目(21076172);福建省高校产学合作科技重大项目(2010H6023);福建省大学生创新基金资助项目(2008cxsy01);泉州市技术研究与开发基金资助项目(2010G6

石莼多糖裂解酶的研究进展

石莼多糖(Ulvan)由3-硫酸化鼠李糖,葡糖醛酸,艾杜糖醛酸及一些随机分布的木糖组成。石莼多糖及其降解得到的寡糖在医疗、食品等领域具有广泛的应用前景。为促进对石莼多糖裂解酶这一石莼多糖利用工具的开发,对石莼多糖裂解酶的底物组成,来源分类,序列及进化关系,酶学性质及作用模式,蛋白结构以及作用机制进行了综述,以求对后续石莼多糖裂解酶研究者提供帮助

石莼多糖裂解酶的研究进展

石莼多糖(Ulvan)由3-硫酸化鼠李糖,葡糖醛酸,艾杜糖醛酸及一些随机分布的木糖组成。石莼多糖及其降解得到的寡糖在医疗、食品等领域具有广泛的应用前景。为促进对石莼多糖裂解酶这一石莼多糖利用工具的开发,对石莼多糖裂解酶的底物组成,来源分类,序列及进化关系,酶学性质及作用模式,蛋白结构以及作用机制进行了综述,以求对后续石莼多糖裂解酶研究者提供帮助

石莼多糖裂解酶的研究进展

石莼多糖(Ulvan)由3-硫酸化鼠李糖,葡糖醛酸,艾杜糖醛酸及一些随机分布的木糖组成。石莼多糖及其降解得到的寡糖在医疗、食品等领域具有广泛的应用前景。为促进对石莼多糖裂解酶这一石莼多糖利用工具的开发,对石莼多糖裂解酶的底物组成,来源分类,序列及进化关系,酶学性质及作用模式,蛋白结构以及作用机制进行了综述,以求对后续石莼多糖裂解酶研究者提供帮助

2004–2016年中国生态系统研究网络水体酸碱度和总溶解性固体数据集

水体的酸碱度(pH)和总溶解性固体(TDS)是中国生态系统研究网络(CERN)的重要监测指标,可为生态系统水体质量长期变化研究提供重要数据。降水pH可以表征其是否为酸沉降,地表水和地下水的pH则关系到水质是否对植物生长和动物饮用存在危害等。TDS是表征水体溶解性固体总含量的指标,同样影响到植物根系的水分吸收和动物的生存分布。本数据集收集整理了CERN农田、森林、荒漠、草原、沼泽5种典型生态系统34个生态站2004–2016年降水、地表水、地下水pH和TDS数据。本数据集可为分析降水、地表水、地下水的酸碱度和TDS的时间变化和空间格局提供数据,可为研究中国典型生态系统水质酸碱度和盐碱化的长期变化提供数据支撑

2004-2016年中国生态系统研究网络（CERN）台站水中八大离子数据集

水是自然界重要的组成物质,是生态系统的主要环境因子,中国生态系统研究网络(CERN)对中国典型生态系统水环境开展了长期定位监测。本数据集收集整理了CERN 34个生态站2004–2016年地下水、静止地表水、流动地表水的八大离子(Ca~(2+)、Mg~(2+)、Na~+、K~+、HCO_3~-、CO_3~(2-)、SO_4~(2-)、Cl~-)数据,包含了农田、草地、森林、荒漠、沼泽5类中国典型生态系统。我们对数据进行了准确性检验,剔除异常值,整理后的数据格式更规范,提高了数据的可靠性。本数据集有助于认识各生态系统的水化学变化特征

JUNO Sensitivity on Proton Decay p→νˉK+p\to \bar\nu K^+ Searches

The Jiangmen Underground Neutrino Observatory (JUNO) is a large liquid scintillator detector designed to explore many topics in fundamental physics. In this paper, the potential on searching for proton decay in $p\to \bar\nu K^+$ mode with JUNO is investigated.The kaon and its decay particles feature a clear three-fold coincidence signature that results in a high efficiency for identification. Moreover, the excellent energy resolution of JUNO permits to suppress the sizable background caused by other delayed signals. Based on these advantages, the detection efficiency for the proton decay via $p\to \bar\nu K^+$ is 36.9% with a background level of 0.2 events after 10 years of data taking. The estimated sensitivity based on 200 kton-years exposure is $9.6 \times 10^{33}$ years, competitive with the current best limits on the proton lifetime in this channel

JUNO sensitivity on proton decay p → ν K + searches*

The Jiangmen Underground Neutrino Observatory (JUNO) is a large liquid scintillator detector designed to explore many topics in fundamental physics. In this study, the potential of searching for proton decay in the $p\to \bar{\nu} K^+$ mode with JUNO is investigated. The kaon and its decay particles feature a clear three-fold coincidence signature that results in a high efficiency for identification. Moreover, the excellent energy resolution of JUNO permits suppression of the sizable background caused by other delayed signals. Based on these advantages, the detection efficiency for the proton decay via $p\to \bar{\nu} K^+$ is 36.9% ± 4.9% with a background level of $0.2\pm 0.05({\rm syst})\pm$$0.2({\rm stat})$ events after 10 years of data collection. The estimated sensitivity based on 200 kton-years of exposure is $9.6 \times 10^{33}$ years, which is competitive with the current best limits on the proton lifetime in this channel and complements the use of different detection technologies