Predicting Differential Ion Mobility Behaviour in silico using Machine Learning

The Analyst ◽  
2021 ◽  
Author(s):  
Christian Ieritano ◽  
J. Larry Campbell ◽  
Scott Hopkins

Although there has been a surge in popularity of differential mobility spectrometry (DMS) within analytical workflows, determining separation conditions within the DMS parameter space still requires manual optimization. A means...

2016 ◽  
Vol 35 (1) ◽  
pp. 29-40
Author(s):  
Liu Yang ◽  
Qiang Han ◽  
Shuya Cao ◽  
Junchao Yang ◽  
Jiang Zhao ◽  
...  

AbstractThis paper reviews hyphenated differential mobility spectrometry (DMS) technology. DMS is a type of ion mobility spectrometry (IMS) also called high-field asymmetric waveform IMS. It is widely used in the detection of chemical warfare agents, explosives, drugs, and volatile organic compounds. Stand-alone DMS analysis of complex mixtures in real-field applications is challenging. Hyphenated DMS can improve resolution for rapid separation and detection. This review focuses on hyphenated DMS, including gas chromatography-DMS, DMS-mass spectrometry (MS), DMS-IMS, IMS-DMS, and DMS-DMS, as well as their associated principles, applications, and research procedures. Key problems in hyphenated DMS are considered.


2011 ◽  
Vol 83 (9) ◽  
pp. 3470-3476 ◽  
Author(s):  
Voislav Blagojevic ◽  
Alexander Chramow ◽  
Bradley B. Schneider ◽  
Thomas R. Covey ◽  
Diethard K. Bohme

2005 ◽  
Vol 59 (6) ◽  
pp. 754-762 ◽  
Author(s):  
Matthew R. Rainsberg ◽  
Peter de B. Harrington

A splitless thermal desorber unit that interfaces a differential mobility spectrometry (DMS) sensor has been devised. This device was characterized by the detection of benzene, toluene, and xylene (BTX) in water. The detection of BTX in water is important for environmental monitoring, and ion mobility measurements are traditionally difficult for hydrocarbons in water because water competes for charge and quenches the hydrocarbon signals. This paper reports the use of a DMS with a photoionization source that is directly coupled to a solid-phase microextraction (SPME) desorber. The separation and detection capabilities of the DMS were demonstrated using BTX components. Detection limits for benzene, toluene, and m-xylene were 75, 50, and 5 μg mL−1, respectively.


2018 ◽  
Vol 9 (1) ◽  
Author(s):  
Stephen W. C. Walker ◽  
Ahdia Anwar ◽  
Jarrod M. Psutka ◽  
Jeff Crouse ◽  
Chang Liu ◽  
...  

The Analyst ◽  
2015 ◽  
Vol 140 (9) ◽  
pp. 2995-3002 ◽  
Author(s):  
M. R. Menlyadiev ◽  
A. Tarassov ◽  
A. M. Kielnecker ◽  
G. A. Eiceman

Proton-bound dimer ions were dissociated in tandem ultraFAIMS/DMS at or near ambient conditions, opening new possibilities for selective ion mobility measurements with DMS.


2014 ◽  
Vol 14 (16) ◽  
pp. 1913-1922 ◽  
Author(s):  
Dimitar Dobchev ◽  
Girinath Pillai ◽  
Mati Karelson

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