数字离子阱偶极直流激励解离技术研究

O657.63; 本研究基于数字离子阱技术,通过改变数字方波的占空比实现加载偶极直流激励-碰撞诱导解离(DDC-CID)技术,改善碎片离子的检测效果.研究结果表明,采用DDC-CID技术可以小幅提高前体离子的碎裂效率,对于利血平分子,碎裂效率提高1.2倍,低质量碎片离子的捕获效率至少提高3倍.实际实验结果与模拟计算结果基本一致.通过观察离子阱稳定性变化图发现,由马修方程计算的离子阱特征参数q值发生改变.DDC-CID技术提高了 MS/MS解离效率,获得了更高的捕获效率,可进一步提升数字离子阱质谱技术的分析性能,扩展其应用领域....

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Published in质谱学报 Vol. 44; no. 6; pp. 739 - 747
Main Authors 周文兴, 黄刚, 蔡红华, 刘俊杰, 邓一兵, 杨清宇, 王伟民, 徐福兴, 丁传凡
Format Journal Article
LanguageChinese
Published 西安交通大学电信学部自动化科学与工程学院,陕西西安 710049 01.11.2023
中国航天员科研训练中心,北京 100094%中国航天员科研训练中心,北京 100094%中国载人航天工程办公室,北京 100034%西安交通大学电信学部自动化科学与工程学院,陕西西安 710049%宁波大学材料科学与化学工程学院,浙江省先进质谱技术与分子检测重点实验室,浙江宁波 315211
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ISSN1004-2997
DOI10.7538/zpxb.2023.0050

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Abstract O657.63; 本研究基于数字离子阱技术,通过改变数字方波的占空比实现加载偶极直流激励-碰撞诱导解离(DDC-CID)技术,改善碎片离子的检测效果.研究结果表明,采用DDC-CID技术可以小幅提高前体离子的碎裂效率,对于利血平分子,碎裂效率提高1.2倍,低质量碎片离子的捕获效率至少提高3倍.实际实验结果与模拟计算结果基本一致.通过观察离子阱稳定性变化图发现,由马修方程计算的离子阱特征参数q值发生改变.DDC-CID技术提高了 MS/MS解离效率,获得了更高的捕获效率,可进一步提升数字离子阱质谱技术的分析性能,扩展其应用领域.
AbstractList O657.63; 本研究基于数字离子阱技术,通过改变数字方波的占空比实现加载偶极直流激励-碰撞诱导解离(DDC-CID)技术,改善碎片离子的检测效果.研究结果表明,采用DDC-CID技术可以小幅提高前体离子的碎裂效率,对于利血平分子,碎裂效率提高1.2倍,低质量碎片离子的捕获效率至少提高3倍.实际实验结果与模拟计算结果基本一致.通过观察离子阱稳定性变化图发现,由马修方程计算的离子阱特征参数q值发生改变.DDC-CID技术提高了 MS/MS解离效率,获得了更高的捕获效率,可进一步提升数字离子阱质谱技术的分析性能,扩展其应用领域.
Abstract_FL The development of fragment ion detection is significant for improving the analysis capacity of mass spectrometry.Fragmentation technique has been widely used in the identification of peptides and top-down/bottom-up proteomics analysis.To date,collision-induced dissociation(CID)remains the most commonly used ion activation method in MS/MS experiments,but the effectiveness of CID in ion trap mass spectrom-eter is limited by low mass truncation and weak fragmentation yield.Recently,techno-logical advances have made the CID process in the ITMS more flexible.The CID process in an ion trap mass spectrometry(ITMS)is usually achieved by superimposing a small auxiliary alternating current(AC)voltage on the main radio frequency(RF)voltage.When the frequency of AC is close to or equal to the lifetime frequency of the isolated ions,the ions are resonantly excited,resulting in a dramatic increase in the kinetic ener-gy of the ions.The high kinetic energy ions will then collide with the background gas,converting the kinetic energy into the internal energy of the ions.Eventually,when the internal energy of the ion is greater than the potential barrier of a bond breaking,a series of fragmentation ions will be formed.In theory,controlling the q-value is essen-tial to maintain the fragmentation efficiency and trapping efficiency of tandem MS/MS,thus improving the detection of fragmentation ions,while currently reported techniques typically require complex circuitry and often yield different CID modes.In this paper,the effective improvement of fragment ion detection by developing the dipole direct current excitation-collision induced dissociation(DDC-CID)technique was demonstra-ted,which was implemented on a digital ion trap mass spectrometer by adjusting the duty cycle during CID,or specifically,by increasing the dipole direct current(DC)voltage during CID.The use of pulsed switches and square wave voltages in the digital ion trap technique was a good solution to the problem of circuit design for frequency scanning ion traps.With the DDC-CID technique,the fragmentation efficiency of pre-cursor ions could be improved marginally,with at least 3-fold increase in capture effi-ciency for low mass fragmentation ions and 1.2-fold increase in fragmentation efficiency for reserpine molecules.These experimental results could also be verified by simula-tions,where plots of ion trap stability changes indicated changes in ion q-values.In any case,DDC-CID provides an idea and a solution for the low efficiency of fragment ion detection during tandem MS/MS analysis,which will certainly be useful in the future.
Author 刘俊杰
邓一兵
徐福兴
黄刚
王伟民
杨清宇
周文兴
丁传凡
蔡红华
AuthorAffiliation 西安交通大学电信学部自动化科学与工程学院,陕西西安 710049;中国航天员科研训练中心,北京 100094%中国航天员科研训练中心,北京 100094%中国载人航天工程办公室,北京 100034%西安交通大学电信学部自动化科学与工程学院,陕西西安 710049%宁波大学材料科学与化学工程学院,浙江省先进质谱技术与分子检测重点实验室,浙江宁波 315211
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Author_FL CAI Hong-hua
DENG Yi-bing
WANG Wei-min
DING Chuan-fan
HUANG Gang
LIU Jun-jie
ZHOU Wen-xing
YANG Qing-yu
XU Fu-xing
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Keywords 数字离子阱质谱
碰撞诱导解离(CID)
colli-sion induced dissociation(CID)
digital ion trap mass spectrometry
SIMION simulation
SIMION模拟
dipolar direct current excitation
偶极直流激励
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PublicationTitle 质谱学报
PublicationTitle_FL Journal of Chinese Mass Spectrometry Society
PublicationYear 2023
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中国航天员科研训练中心,北京 100094%中国航天员科研训练中心,北京 100094%中国载人航天工程办公室,北京 100034%西安交通大学电信学部自动化科学与工程学院,陕西西安 710049%宁波大学材料科学与化学工程学院,浙江省先进质谱技术与分子检测重点实验室,浙江宁波 315211
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