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N-磷酰化多巴胺与溶菌酶相互作用的ESI-MS研究 总被引:1,自引:0,他引:1
采用电喷雾离子肼-质谱(ESI-MS)研究了一系列结构具有可比性的N-磷酰化多巴胺与溶菌酶的非共价相互作用, 比较了磷上不同取代基对相互作用的影响. 结果表明, 磷上的烷氧取代基上烷基碳原子的个数及排列顺序对二者相互作用有较大影响; 取代基上碳链越长, 溶液中溶菌酶的构象越趋于收缩, 二者之间越容易形成带低电荷和高质核比的复合物, 且其稳定性也随着取代基的增长而增强; 当取代基碳原子数相同时, 直链取代的磷酰化多巴胺与溶菌酶形成的复合物比支链取代的底物与溶菌酶形成的复合物稳定. 相似文献
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N-磷酰化肽酯及小肽与溶菌酶相互作用的ESI-MS研究 总被引:1,自引:0,他引:1
用ESI-MS研究了一系列结构具有可比性的N-磷酰化肽酯及小肽和溶菌酶的非共价相互作用, 比较了磷酰化肽酯及小肽分子中的不同基团对相互作用的影响. 结果表明—OH对其与溶菌酶的相互作用有较大贡献; 芳香环由于位阻原因, 对相互作用有促进和阻碍双重效应; 当—OH与芳香环相连时会发生协同效应, 可使相互作用显著增强. 磷酰化肽酯及小肽的体积大小、空间位阻对相互作用亦有显著影响. 磷酰化二肽中氨基酸残基的构型、顺序、碳链长短的变化(增加1~2个C)对其与蛋白溶菌酶之间的相互作用在质谱中没有表现出影响. 分子结构较为伸展、分子柔顺性好、空间位阻较小的磷酰化小肽更容易使蛋白在溶液中的构象趋于收缩, 而构象较为收缩的蛋白分子更易结合空间位阻较小的磷酰化小肽分子. 相似文献
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Synthesis of Novel Phosphorylated Daidzein Derivatives and ESI Investigation on Their Non-Covalent Complexes with Lysozyme 总被引:1,自引:0,他引:1
Daidzein (7,4'-dihydroxyisoflavone) was phosphorylated by a modified Atherton-Todd reaction. The structures of the five target product, were determined by X-ray, IR, NMR and ESI-MS. Electrospray ionization results show that in the gas phase all the phosphorylated daidzein derivatives could form non-covalent complexes with the protein lysozyme, while non-covalent complexes were not detected in the mixed solution of daidzein with lysozyme. Relative affinity of every non-covalent complex was obtained according to its different decomposition orifice voltage. 相似文献
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建立了一种基于电喷雾电离质谱的丙酮稳定同位素标记对N-糖链进行相对定量的研究方法. 与传统的PNGase F酶水解N-糖链的方法不同,采用非特异性蛋白酶Pronase E对N-糖蛋白进行处理,使N-糖蛋白被酶解为带有一个氨基酸的糖氨酸(Glycan-Asn),为N-糖链引入了一个氨基活性基团,然后用丙酮对氨基进行标记. 用d0/d6丙酮对Ribo B标准糖蛋白的Pronase E酶解产物进行标记,考察了4对d0/d6丙酮标记的Glycan-Asn(Man5~Man8-Asn)在电喷雾电离质谱中的线性、动态范围以及重现性. 结果表明,在10倍动态范围内,相对定量方法有良好的线性关系(R=0.9981)和重现性(CV<8.7%). 并将建立的方法应用于不同含量的鸡卵清白蛋白中,进一步验证了该方法的可行性. 研究结果表明,该方法能准确分析样品中N-糖链的含量,对不同样品中N-糖链进行相对定量. 该方法成本低廉,后处理方法简单方便,适于微量样品通量化分析,对差异糖组的研究有一定的意义. 相似文献
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A clear diagram for the unfolding of protein induced by denaturant is a classical but still unsolved challenge. To explore the unfolded conformations of ubiquitin under different urea concentrations, we performed hybrid Monte Carlo-molecular dynamics simulations (MC-MD) guided by small angle X-ray scattering (SAXS) structural information. Conformational ensembles sampled by the hybrid MC-MD algorithm exhibited typical 3D structures at different urea concentrations. These typical structures suggested that ubiquitin was subjected to a sequential unfolding, where the native contacts between adjacent β-sheets at first were disrupted together with the exposure of hydrophobic core, followed by the conversion of remaining β-strands and helices into random coils. Ubiquitin in 8 mol·L?1 urea is almost a random coil. With the disruption of native structure, urea molecules are enriched at protein hydrated layer to stabilize newly exposed residues. Compared with water, urea molecules prefer to form hydrogen bonds with the backbone of ubiquitin, thus occupying nodes of the hydrogen bonding network that construct the secondary structure of proteins. Meanwhile, we also found that the slow dynamics of urea molecules was almost unchanged while the dynamics of water was accelerated in the hydration shell when more residues were unfolded and exposed. The former was also responsible for the stabilization of unfolded structures. 相似文献
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In our invention, FCC (fluid catalytic cracking) dry gas could be used to react with benzene without any special purification, and more than 90% ethylene was converted to ethylbenzene. The phenomenon of carbon deposition over catalyst surface was obvious and leads to a deactivation of catalyst, so it is important to study the behavior of carbon deposition of catalyst during alkylation of benzene. The influence of several factors such as temperature, reaction time, reactant concentration of the amount and the kinetics of carbon deposition were investigated, during which carbon depositing rate equations were obtained for different reactant.This revised version was published online in November 2005 with corrections to the Cover Date. 相似文献
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Infrared spectroscopy measurements were performed on Lysozyme aqueous solutions also in the presence of PolyEthylene Glycol (PEG 400) as a function of an increasing temperature from T = 27 °C to 90 °C, and, successively in sequence, by decreasing temperatures from T = 90 °C to 27 °C. Data were analyzed by evaluating the spectral difference with respect to the initial spectrum collected at 27 °C. This procedure allows to quantitatively evaluate the thermal restraint related to the thermal scan from T = 27 °C to 90 °C, as well as to introduce a spectral resilience concerning the entire increasing and decreasing thermal paths which allow to highlight the bioprotectant effectiveness of low molecular weight PEG. In particular, the main purpose of the present work is to highlight the effects of a thermal treatment on a mixture of Lysozyme/water and of Lysozyme/water/PEG 400 during an increasing temperature scan, and then after a successive decreasing temperature scan, in order to highlight the bioprotectant role of PEG 400. On that score, an evaluation of the spectral distances of the registered spectra as a function of increasing and decreasing temperatures has been performed and analyzed. 相似文献
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773.15 K下焙烧二钛酸(H2Ti205)制备了介孔结构TiO2。采用比表面分析仪(BET)、扫描电镜(SEM)、拉曼(Raman)光谱和X射线衍射(XRD)仪进行表征研究了介孔TiO2对溶菌酶的吸附行为和机理。结果表明,该吸附过程较好地满足Langmuir吸附模型;随着溶液pH值的增高,溶菌酶在介孔TiO2上的吸附量先增大后减小。在pH = 7.2时,达到最大吸附容量72.5 mg·g-1。该介孔TiO2对溶菌酶具有良好的吸附稳定性,经过5次循环后吸附的溶菌酶残余量仍有81.6%。动力学研究表明,介孔TiO2与溶菌酶间的吸附满足准二级动力学模型,吸附传质过程由膜扩散和粒内扩散共同影响与控制。对热力学参数的计算发现,该过程ΔG0 < 0, ΔH0 > 0, ΔS0 > 0,表明介孔TiO2对溶菌酶的吸附是一个自发的、吸热的熵增过程。 相似文献
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运用量子化学方法辅助解析并比较槲皮素与桑色素在电喷雾离子阱质谱(ESI-MS)负离子模式下的裂解行为。依据密度泛函理论(Density functional theory,DFT),在B3LYP/6-31G(d)水平,对槲皮素与桑色素的分子空间构型进行优化,确定稳定的几何构型与去质子化位点,在RB3LYP/6-31+G(2d,2p)水平,计算相对碎裂电压下的二级质谱中碎片离子处于稳定状态时的能量,通过比较准分子离子稳定构型并结合基组重叠误差(Basis set superposition error,BSSE)校正后的键解离能(Bond dissociation energy,BDE),推导了质谱碎裂过程。结果显示:槲皮素的稳定构型为A,B,C环处于同一平面,桑色素上的2'-OH使得B环与AC环之间翻转一定角度,二面角D(1,2,1',6')为-134.662 4°。槲皮素与桑色素的质谱裂解过程主要通过C环跨环裂解产生,且具有多种开裂方式,开裂先后顺序为:1,2开裂、0,2开裂、1,3开裂、1,4开裂与0,4开裂,分别生成碎片离子1,2A-,0,2A-,1,3A-,1,4A-与0,4A-,并逐步进行后续裂解,而2'-OH的存在促进了桑色素的裂解。该研究为进一步揭示黄酮醇类化合物的质谱裂解规律提供了理论依据。 相似文献
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苹果果胶多糖经脱酯化得到果胶酸, 以果胶酸为底物通过酶解得到聚合度为2~8的果胶寡糖混合物, 并运用阴离子交换柱层析对果胶寡糖混合物进行了分离制备. 结果表明, 以果胶酸为底物在40 ℃酶解反应1 h为最佳酶解条件得到果胶寡糖混合物, 经分离制备得到聚合度为2~5的寡聚半乳糖醛酸单体, 总得率为37%, TLC和ESI-MS检测其纯度为92%以上. 运用ESI-MS分析寡聚半乳糖醛酸时发现除单体的分子离子峰外, 还存在二聚体的分子离子峰, 并对二聚体的存在进行了确认. 相似文献
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Poor solubility of Hantzsch ester is used as indicator in the reduction of methylidene malononitrile. The Knoevenagel reaction is integrated to develop a reductive alkylation of malononitrile with aryl and aliphatic aldehyde as the carbonyl substrate. 相似文献
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采用时间分辨荧光光谱等手段研究了手性探针分子L-[4-(1-芘基)]丁酰基苯丙氨酸(PLP)与溶菌酶(Lys)、牛血清白蛋白(BSA)和人血清白蛋白(HSA)的结合过程及机理,探讨了三氯六氨合钴(CoHA)对不同复合体系内芘基的荧光猝灭作用.结果表明,PLP在与血清白蛋白的结合过程中是以芘基插入到血清白蛋白疏水空腔中的方式与蛋白质结合的;而PLP与Lys的结合部位处在其表面的疏水部分. 相似文献
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汽油烷基化脱硫反应中噻吩及其衍生物的烷基化性能 总被引:8,自引:0,他引:8
研究了噻吩、2-甲基噻吩、3-甲基噻吩和 2,5-二甲基噻吩等硫化物与己烯进行烷基化反应的性能. 结果发现,它们进行一次烷基化反应的能力都比较强,在实验条件下转化率几乎都达到了100%. 但噻吩衍生物与己烯进行二次以至多次烷基化反应的能力则随着噻吩环上支链的增加逐渐减弱,原因可能来自噻吩衍生物继续进行烷基化反应的热力学条件不利,以及环上已有侧链的空间位阻效应. 噻吩衍生物发生深度烷基化反应能力的减弱导致了另外两个并行竞争反应芳烃烷基化和烯烃烷基化(聚合)的反应程度增强,表现为芳烃转化率和己烯聚合量的升高,以及各自二次烷基化产物相对含量的增加. 相似文献
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Ji-hong Liu Shu-xia Cao Zhi-ping Zeng Xin-cheng Liao Jian-sha Lu Yu-fen Zhao 《Phosphorus, sulfur, and silicon and the related elements》2013,188(8):1587-1593
The interactions between ATP and N-(O,O-diisopropyl) phosphoryl-L-alanine (DIPP-Ala), N-(tert-butoxycarbonyl)-L-alanine (Boc-Ala), or L-alanine (Ala) were investigated by electrospray ionization tandem mass spectrometry (ESI-MS/MS). The non-covalent complexes between ATP and Boc-Ala or DIPP-Ala were observed, while the complex between ATP and Ala was not found in the mass spectra. The affinity of DIPP-Ala for ATP was confirmed to be stronger than that of Boc-Ala by competition experiment. Through molecular modeling calculations, it was found that the non-covalent complexes were stabilized by intermolecular hydrogen bonds, and the affinity sequence for ATP was DIPP-Ala > Boc-Ala > Ala by comparing their binding energy, ?35.407 kcal/mol, ?15.634 kcal/mol, ?6.555 kcal/mol, respectively. The results implied that a phosphoryl group was a very important functional group to provide an interaction site between amino acids and ATP, and that N-phosphoryl amino acids can be used as a good model of protein in the studies of molecular recognition of ATP. 相似文献