磷酸化是一种重要的蛋白质翻译后修饰过程,其不仅参与调节一系列重要的生命活动[1,2],还与多种疾病的发生发展息息相关。然而,由于复杂生物样本中存在大量非磷酸肽信号干扰,磷酸化肽段丰度低且离子化效率不理想,使得磷酸化蛋白质组学的规模化鉴定存在一定困难。
介绍了气相色谱-质谱联用(GC-MS)技术在粉末材料中检测失能剂BZ 的应用.通过优化气相色谱条件,建立了适合检测BZ 的气相色谱-质谱方法,质谱扫描方式为全扫描检测方法,升温程序为40℃(2min)→10℃/min→280℃(5min),进样口温度为250℃,进样方式为不分流,不分留时间为0.7min,并摸索建立了粉末检材中制备BZ 原体的样品制备方法,最低检测下限可至500ppb.所建立的样品
复杂生物样品中超痕量有害化合物的直接定量分析是一项极具挑战性的项目。本研究中，采用μSPE-iEESI-MS 技术对人体尿液中的超痕量的罂粟碱进行了快速、高灵敏的检测。
With DFT and TD-DFT approaches,the following aspects(molecular geometry,electronic structure,intramolecular charge transfer,light harvesting efficiency,and dye-TiO2 interface electron transfer)are exp
近期,我们课题组提出的多组态密度泛函理论(MSDFT)为研究电荷转移反应提供了一套新的研究手段(J.Phys.Chem.Lett.2016,7,2286-2293).该方法将波函数理论(WFT)和密度泛函理论(DFT)相结合,一方面可以很方便地构建电荷转移前后的局域化透热电子态,另一方面可以直接计算得到电荷转移过程中的透热耦合矩阵元(也称电子耦合常数).
Morse/long-range(MLR)potential energy function is a very flexible form which explicitly incorporates the theoretically predicted inverse-power-sum long-range tail,is smooth and differentiable everywhe
To explore the relat ionship between the intra-and inter-molecular charge transfer and nonlinear opt ical property,two molecules(2 and 22)are designed by boron/nitrogen atoms subst ituted the central
Recently,the structures and NLO properties of phenalenyl(PLY)and its derivatives are investigated by our group[1-3],in which the introduction of the Li3O and BeF3 can exhibit an interlayer charge-tran
The electronic structures,electronic circular dichroism(ECD)and UV-visible(UV-vis)absorption spectra of chiral Dawson-type polyoxoanion [(L(D)-C6H10N3O2)P2Mo18O62]5-(1a/1b)and chiral polyoxoanion [(L(
Searching for low overpotential and high efficiency catalysts for the carbon dioxide reduction reaction(CO2RR)is of critical importance to convert CO2 to valuable fuels and chemicals.