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International Journal for Ion Mobility Spectrometry最新文献

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A comparison of SIMION and LORENTZ for IMS simulation SIMION和LORENTZ在IMS仿真中的比较
International Journal for Ion Mobility Spectrometry Pub Date : 2015-07-08 DOI: 10.1007/s12127-015-0180-1
Adrian V. Mariano, S. Guharay
{"title":"A comparison of SIMION and LORENTZ for IMS simulation","authors":"Adrian V. Mariano, S. Guharay","doi":"10.1007/s12127-015-0180-1","DOIUrl":"https://doi.org/10.1007/s12127-015-0180-1","url":null,"abstract":"","PeriodicalId":13705,"journal":{"name":"International Journal for Ion Mobility Spectrometry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12127-015-0180-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52933563","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Minimizing false positives in ion mobility spectrometry by changing the field or pressure 通过改变电场或压力来减少离子迁移率光谱中的假阳性
International Journal for Ion Mobility Spectrometry Pub Date : 2015-06-25 DOI: 10.1007/s12127-015-0181-0
L. Viehland
{"title":"Minimizing false positives in ion mobility spectrometry by changing the field or pressure","authors":"L. Viehland","doi":"10.1007/s12127-015-0181-0","DOIUrl":"https://doi.org/10.1007/s12127-015-0181-0","url":null,"abstract":"","PeriodicalId":13705,"journal":{"name":"International Journal for Ion Mobility Spectrometry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12127-015-0181-0","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52933581","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Transient simulation of moving ion clouds in time-of-flight ion mobility spectrometers operating with DC and AC fields 在直流和交流电场下飞行时间离子迁移谱仪中移动离子云的瞬态模拟
International Journal for Ion Mobility Spectrometry Pub Date : 2015-06-19 DOI: 10.1007/s12127-015-0179-7
Maria Allers, A. Bohnhorst, A. Kirk, B. Ungethüm, A. Walte, Stefan Zimmermann
{"title":"Transient simulation of moving ion clouds in time-of-flight ion mobility spectrometers operating with DC and AC fields","authors":"Maria Allers, A. Bohnhorst, A. Kirk, B. Ungethüm, A. Walte, Stefan Zimmermann","doi":"10.1007/s12127-015-0179-7","DOIUrl":"https://doi.org/10.1007/s12127-015-0179-7","url":null,"abstract":"","PeriodicalId":13705,"journal":{"name":"International Journal for Ion Mobility Spectrometry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12127-015-0179-7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52933504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Molecular modeling interpretation of IMMS data collected on negative ionization of methyl salicylate using radioactive, corona discharge and photo-ionization 利用放射性、电晕放电和光电离对水杨酸甲酯负电离的IMMS数据进行分子模拟解释
International Journal for Ion Mobility Spectrometry Pub Date : 2015-06-14 DOI: 10.1007/s12127-015-0172-1
G. Spangler
{"title":"Molecular modeling interpretation of IMMS data collected on negative ionization of methyl salicylate using radioactive, corona discharge and photo-ionization","authors":"G. Spangler","doi":"10.1007/s12127-015-0172-1","DOIUrl":"https://doi.org/10.1007/s12127-015-0172-1","url":null,"abstract":"","PeriodicalId":13705,"journal":{"name":"International Journal for Ion Mobility Spectrometry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12127-015-0172-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52933277","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
An analytical model for the optimum drift voltage of drift tube ion mobility spectrometers with respect to resolving power and detection limits 建立了漂移管离子迁移谱仪最佳漂移电压与分辨能力和检出限的解析模型
International Journal for Ion Mobility Spectrometry Pub Date : 2015-06-13 DOI: 10.1007/s12127-015-0176-x
A. Kirk, S. Zimmermann
{"title":"An analytical model for the optimum drift voltage of drift tube ion mobility spectrometers with respect to resolving power and detection limits","authors":"A. Kirk, S. Zimmermann","doi":"10.1007/s12127-015-0176-x","DOIUrl":"https://doi.org/10.1007/s12127-015-0176-x","url":null,"abstract":"","PeriodicalId":13705,"journal":{"name":"International Journal for Ion Mobility Spectrometry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12127-015-0176-x","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52933449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 22
Comparison of the peak capacity for DMS filters with various gap height: experimental and simulations results 不同间隙高度DMS滤波器峰值容量的比较:实验和仿真结果
International Journal for Ion Mobility Spectrometry Pub Date : 2015-06-13 DOI: 10.1007/s12127-015-0177-9
B. Schneider, E. Nazarov, F. Londry, T. Covey
{"title":"Comparison of the peak capacity for DMS filters with various gap height: experimental and simulations results","authors":"B. Schneider, E. Nazarov, F. Londry, T. Covey","doi":"10.1007/s12127-015-0177-9","DOIUrl":"https://doi.org/10.1007/s12127-015-0177-9","url":null,"abstract":"","PeriodicalId":13705,"journal":{"name":"International Journal for Ion Mobility Spectrometry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12127-015-0177-9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52933480","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Towards unsupervised polyaromatic hydrocarbons structural assignment from SA-TIMS –FTMS data 基于SA-TIMS -FTMS数据的无监督多芳烃结构赋值
International Journal for Ion Mobility Spectrometry Pub Date : 2015-06-03 DOI: 10.1007/s12127-015-0175-y
P. Bénigni, Rebecca Marin, F. Fernandez-Lima
{"title":"Towards unsupervised polyaromatic hydrocarbons structural assignment from SA-TIMS –FTMS data","authors":"P. Bénigni, Rebecca Marin, F. Fernandez-Lima","doi":"10.1007/s12127-015-0175-y","DOIUrl":"https://doi.org/10.1007/s12127-015-0175-y","url":null,"abstract":"","PeriodicalId":13705,"journal":{"name":"International Journal for Ion Mobility Spectrometry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12127-015-0175-y","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52933399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 20
Theoretical predictor for candidate structure assignment from IMS data of biomolecule-related conformational space. 从生物分子相关构象空间的IMS数据进行候选结构分配的理论预测。
International Journal for Ion Mobility Spectrometry Pub Date : 2015-06-01 Epub Date: 2015-03-07 DOI: 10.1007/s12127-015-0165-0
Emily R Schenk, Frederic Nau, Francisco Fernandez-Lima
{"title":"Theoretical predictor for candidate structure assignment from IMS data of biomolecule-related conformational space.","authors":"Emily R Schenk, Frederic Nau, Francisco Fernandez-Lima","doi":"10.1007/s12127-015-0165-0","DOIUrl":"10.1007/s12127-015-0165-0","url":null,"abstract":"<p><p>The ability to correlate experimental ion mobility data with candidate structures from theoretical modeling provides a powerful analytical and structural tool for the characterization of biomolecules. In the present paper, a theoretical workflow is described to generate and assign candidate structures for experimental trapped ion mobility and H/D exchange (HDX-TIMS-MS) data following molecular dynamics simulations and statistical filtering. The applicability of the theoretical predictor is illustrated for a peptide and protein example with multiple conformations and kinetic intermediates. The described methodology yields a low computational cost and a simple workflow by incorporating statistical filtering and molecular dynamics simulations. The workflow can be adapted to different IMS scenarios and CCS calculators for a more accurate description of the IMS experimental conditions. For the case of the HDX-TIMS-MS experiments, molecular dynamics in the \"TIMS box\" accounts for a better sampling of the molecular intermediates and local energy minima.</p>","PeriodicalId":13705,"journal":{"name":"International Journal for Ion Mobility Spectrometry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12127-015-0165-0","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"34599770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 18
Effect of the humidity on analysis of aromatic compounds with planar differential ion mobility spectrometry 湿度对平面差示离子迁移率光谱法分析芳香族化合物的影响
International Journal for Ion Mobility Spectrometry Pub Date : 2015-06-01 DOI: 10.1007/s12127-014-0162-8
Andriy Kuklya, Florian Uteschil, K. Kerpen, R. Marks, U. Telgheder
{"title":"Effect of the humidity on analysis of aromatic compounds with planar differential ion mobility spectrometry","authors":"Andriy Kuklya, Florian Uteschil, K. Kerpen, R. Marks, U. Telgheder","doi":"10.1007/s12127-014-0162-8","DOIUrl":"https://doi.org/10.1007/s12127-014-0162-8","url":null,"abstract":"","PeriodicalId":13705,"journal":{"name":"International Journal for Ion Mobility Spectrometry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12127-014-0162-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52932816","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 14
Non-invasive monitoring of bacterial growth and auto-induced protein production in a bioreactor with a closed-loop GC-IMS 用闭环气相色谱- ims无创监测生物反应器中细菌生长和自诱导蛋白的产生
International Journal for Ion Mobility Spectrometry Pub Date : 2015-06-01 DOI: 10.1007/s12127-014-0163-7
J. Langejuergen, C. Wagner, S. Beutel, T. Hopmeier, T. Scheper, S. Zimmermann
{"title":"Non-invasive monitoring of bacterial growth and auto-induced protein production in a bioreactor with a closed-loop GC-IMS","authors":"J. Langejuergen, C. Wagner, S. Beutel, T. Hopmeier, T. Scheper, S. Zimmermann","doi":"10.1007/s12127-014-0163-7","DOIUrl":"https://doi.org/10.1007/s12127-014-0163-7","url":null,"abstract":"","PeriodicalId":13705,"journal":{"name":"International Journal for Ion Mobility Spectrometry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/s12127-014-0163-7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"52932957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 17
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