共查询到19条相似文献,搜索用时 125 毫秒
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针对非对称场离子谱(FAIMS,field&symmetricw&veformionmobilityspectrometry)的设计优化,本文基于SIMION/SDS多物理场仿真研究方法,结合离子迁移率计算算法、非对称射频方波电压与直流扫描电压算法实现了非对称场离子谱(FAIMS)的仿真。应用该仿真方法,对FAIMS迁移管的迁移区、迁移区与检测区之间的区域离子的运动进行了仿真,结果与理论分析一致。采用相同的结构及控制参数,将SatendraPrasad的实验结果与仿真结果进行对比,定量地分析仿真结果对扫描电场谱图的预测能力。结果表明,该方法能够有效地模拟离子在FAIMS迁移管中的迁移运动,对FAIMS迁移管的优化设计有着重要的意义。 相似文献
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离子迁移谱-质谱联用技术已经逐渐成为对复杂混合物进行源后分离、分析的重要手段。在离子迁移谱中,漂移气体的选择或组分配比(N2、He、CO2等)通常会对不同类别化合物的分离度以及不同质量范围的离子通率产生影响。U型迁移谱分析器(UMA) 是一种基于逆流迁移谱分析方法的独特离子迁移谱装置,特定迁移率离子可以在电场和气流的共同作用下得到精确分选。UMA具有独立的漂移气体快速进入及脱离通道,可以实时有效地完成精确调节漂移气体组分的任务。本工作研究了在UMA中使用多种漂移气体种类及不同成分配比对系统灵敏度、分离能力以及分析速度的影响,同时探讨了在单次采集过程中动态调整气体成分的可能性和优势。 相似文献
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糖基化是生物体内重要的蛋白质翻译后修饰(PTM)。基于质谱的检测技术,特别是液相色谱-质谱(LC-MS)联用技术是糖基化研究的常规手段。然而,由于糖基化存在复杂的异构现象,大多数基于质谱的分析技术在区分其异构体时存在困难。离子迁移谱(IM)是一种基于离子在气相中的形状和电荷进行分离的技术,能够为质谱分析提供新的分离维度。离子迁移谱-质谱(IM-MS)技术具有较强的区分异构体的能力,在蛋白质糖基化研究中的潜力越来越受到重视。本文总结了IM-MS技术的类型和基本原理,及其在蛋白质糖基化研究中的进展,如对完整糖蛋白、完整糖肽和聚糖的研究,并展望了其应用前景。 相似文献
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随着现代检测技术以及科学研究的快速发展,同分异构体化学结构及其功能不断被揭示,异构体的不同结构分子可能具有完全不同的生物化学活性,并且同分异构体的某种结构分子可能对疾病的发病机理或治疗具有重要作用,而另一种结构分子的作用相反。因此,对同分异构体的分离识别及其结构探究有助于进一步理解生命运行机制,是目前分析化学乃至生命科学领域的研究热点。近年来快速发展的离子迁移谱(ion mobility spectrometry, IMS)是一种可以分析分子空间结构的技术,通过测量气相中不同分子离子与气流的碰撞截面积差异来区分某种分子的同分异构体。IMS与质谱联用(IMS-MS)是在质谱技术上增加一个淌度分离维度改善离子结构分离测定,同时在淌度技术上增强离子选质的特殊功能,使离子的分离具有高度选择性。IMS-MS技术已广泛应用于小分子/代谢物鉴定、蛋白质组学研究、主客体复合物、分子结构鉴定等领域。本文重点介绍了不同类型IMS的工作原理,IMS-MS在不同类型异构体分析方面的最新应用,并展望其应用前景。 相似文献
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The phenomenon of ion mobility (IM), the movement/transport of charged particles under the influence of an electric field, was first observed in the early 20th Century and harnessed later in ion mobility spectrometry (IMS). There have been rapid advances in instrumental design, experimental methods, and theory together with contributions from computational chemistry and gas‐phase ion chemistry, which have diversified the range of potential applications of contemporary IMS techniques. Whilst IMS‐mass spectrometry (IMS‐MS) has recently been recognized for having significant research/applied industrial potential and encompasses multi‐/cross‐disciplinary areas of science, the applications and impact from decades of research are only now beginning to be utilized for “small molecule” species. This review focuses on the application of IMS‐MS to “small molecule” species typically used in drug discovery (100–500 Da) including an assessment of the limitations and possibilities of the technique. Potential future developments in instrumental design, experimental methods, and applications are addressed. The typical application of IMS‐MS in relation to small molecules has been to separate species in fairly uniform molecular classes such as mixture analysis, including metabolites. Separation of similar species has historically been challenging using IMS as the resolving power, R, has been low (3–100) and the differences in collision cross‐sections that could be measured have been relatively small, so instrument and method development has often focused on increasing resolving power. However, IMS‐MS has a range of other potential applications that are examined in this review where it displays unique advantages, including: determination of small molecule structure from drift time, “small molecule” separation in achiral and chiral mixtures, improvement in selectivity, identification of carbohydrate isomers, metabonomics, and for understanding the size and shape of small molecules. This review provides a broad but selective overview of current literature, concentrating on IMS‐MS, not solely IMS, and small molecule applications. © 2012 Wiley Periodicals, Inc., Mass Spec Rev 32:43–71, 2013 相似文献
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本研究分析了迁移管内带电体的结构,给出求解拉普拉斯方程的数学模型、迁移管带电体的边界处理方法和迁移管内离散电场数值的计算方法。离子门关闭期间,改变驱动脉冲的对称电压值将在迁移区产生非均匀电场,对离子迁移谱的分辨率、峰位、信噪比等特性产生影响。借助数值求解拉普拉斯方程得到的计算结果,对非均匀电场对迁移谱的影响进行合理的解释,给出理论计算迁移谱峰位的方法,并与实验结果进行比较,验证了计算方法的可靠性。实验结果表明,应用离散求解拉普拉斯方程计算迁移管电场在离子迁移谱领域有较好的应用前景。 相似文献
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离子光谱结合了质谱的高灵敏度和光谱的分子结构特异性的优势,可对蛋白质、多肽、糖类、寡核苷酸等复杂体系进行结构表征和鉴定。但当存在同分异构体时,离子光谱难以从叠加的谱图中得到单个异构体的光谱信息。离子淌度质谱技术可通过区分待测离子质荷比和分子空间尺寸差异来实现异构体的分离。离子淌度可以对异构体分离后分别引入到后续的光谱和质谱分析中,减少了由异构体引起的光谱叠加问题,光谱可以进一步验证离子淌度的分离效果,因此质谱、光谱、离子淌度谱的有机结合在得到异构体精确光谱的同时,也为离子淌度质谱分析带来了新的维度和深度。本文概述了近20年来基于各类离子淌度质谱技术的光谱仪器发展和应用情况,总结目前存在的问题,并展望多维度结构质谱的新需求。 相似文献
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近年来,随着分子结构分析需求的不断增加,开发离子阱质量分析器测量离子碰撞截面积的方法成为研究热点。该方法能降低仪器复杂度,并且能同时获得高分辨的质量和分子立体结构信息,逐渐成为与离子淌度谱(IMS)互补的测量碰撞截面积的有效手段。目前,已经实现了傅里叶变换离子回旋共振阱(FT ICR)、轨道离子阱(Orbitrap)、四极离子阱(QIT)、静电线性离子阱(ELIT)测量离子碰撞截面积(CCS)。但该项技术仍存在诸多挑战,如分辨率不高、受气压因素影响、无法区分同分异构体等。本文阐述了离子与缓冲气体分子碰撞理论、不同离子阱质谱仪测量碰撞截面积的方法,并总结测量方法的优缺点,展望未来的研究方向。 相似文献
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In recent years, explosive materials have been widely employed for various military applications and civilian conflicts; their use for hostile purposes has increased considerably. The detection of different kind of explosive agents has become crucially important for protection of human lives, infrastructures, and properties. Moreover, both the environmental aspects such as the risk of soil and water contamination and health risks related to the release of explosive particles need to be taken into account. For these reasons, there is a growing need to develop analyzing methods which are faster and more sensitive for detecting explosives. The detection techniques of the explosive materials should ideally serve fast real‐time analysis in high accuracy and resolution from a minimal quantity of explosive without involving complicated sample preparation. The performance of the in‐field analysis of extremely hazardous material has to be user‐friendly and safe for operators. The two closely related ion spectrometric methods used in explosive analyses include mass spectrometry (MS) and ion mobility spectrometry (IMS). The four requirements—speed, selectivity, sensitivity, and sampling—are fulfilled with both of these methods. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:940–973, 2011 相似文献