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Development of Digital Mass Spectrometry Instrumentation for the Advancement of Cryogenic Ion Vibrational Spectroscopy Techniques
Development of Digital Mass Spectrometry Instrumentation for the Advancement of Cryogenic ...
Development of Digital Mass Spectrometry Instrumentation for the Advancement of Cryogenic Ion Vibrational Spectroscopy Techniques

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자료유형  
 학위논문 서양
최종처리일시  
20260202105649
ISBN  
9798270246556
DDC  
543
저자명  
Capek, Grace O.
서명/저자  
Development of Digital Mass Spectrometry Instrumentation for the Advancement of Cryogenic Ion Vibrational Spectroscopy Techniques
발행사항  
[Sl] : The University of Wisconsin - Madison, 2025
발행사항  
Ann Arbor : ProQuest Dissertations & Theses, 2025
형태사항  
153 p
주기사항  
Source: Dissertations Abstracts International, Volume: 87-06, Section: B.
주기사항  
Advisor: Garand, Etienne.
학위논문주기  
Thesis (Ph.D.)--The University of Wisconsin - Madison, 2025.
초록/해제  
요약Cryogenic Ion Vibrational Spectroscopy (CIVS) is a technique which combines the sensitivity and selectivity of mass spectrometry (MS) with the direct structural information gained from infrared (IR) spectroscopy. Messenger-tagged cryogenic complexes are irradiated with an IR laser in the Reflectron time-of-flight (Re-TOF) region of a custom mass spectrometer, and the photodissociation of the ion-tag complex is monitored in order to obtain the IR spectrum. Here, we present an alternative instrument for CIVS where the complexes are irradiated inside of a cryogenic linear quadrupole ion trap driven by radiofrequency (RF) square waves, otherwise known as digital waves.In contrast to traditional CIVS where only one mass-to-charge (m/z) ion packet can be spectroscopically probed in the Reflectron region, this instrument is equipped to perform a multiplexed spectroscopy experiment where multiple m/z species are probed in one laser scan. In the Garand group, we are particularly interested in studying solvation processes in the gas phase by clustering amino acids and small polypeptides with water in cryogenic ion traps. The CIVS technique gives specific insight into how molecular structure changes with solvation. Expanding to a multiplexed spectroscopy workflow will allow for a higher throughput study of these water clusters, where every other m/z cluster is investigated in one experiment.The Cryogenic Digital Linear Ion Trap Mass Spectrometer (CD-LIT-MS) described here is equipped with digital ion trapping (DIT) technology which allows the frequency to be scanned for mass analysis, fixing the amplitude of the RF square waves low to reduce the arcing potential under cryogenic conditions. The frequency and duty cycle of the RF square waves can be adjusted for software-controlled mass filtration and isolation. In addition, a novel square complex waveform has been developed to perform parametric resonant excitation. We demonstrate how this waveform can perform all the typical functions of sinusoidal complex waveforms such as selective m/z elimination or pre-ejection, mass isolation, and MS resolution enhancement. The square parametric excitation technique allows us to precisely eliminate selected m/z and therefore perform the proof-of-concept multiplexed experiment on every other water cluster.
일반주제명  
Analytical chemistry
일반주제명  
Physical chemistry
일반주제명  
Chemistry
키워드  
Digital ion trapping
키워드  
Infrared spectroscopy
키워드  
Mass spectrometry
키워드  
Solvent clusters
기타저자  
The University of Wisconsin - Madison Chemistry
기본자료저록  
Dissertations Abstracts International. 87-06B.
전자적 위치 및 접속  
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MARC

 008260126s2025        us                              c    eng  d
■001000017360995
■00520260202105649
■006m          o    d                
■007cr#unu||||||||
■020    ▼a9798270246556
■035    ▼a(MiAaPQ)AAI32402397
■040    ▼aMiAaPQ▼cMiAaPQ
■0820  ▼a543
■1001  ▼aCapek,  Grace  O.
■24510▼aDevelopment  of  Digital  Mass  Spectrometry  Instrumentation  for  the  Advancement  of  Cryogenic  Ion  Vibrational  Spectroscopy  Techniques
■260    ▼a[Sl]▼bThe  University  of  Wisconsin  -  Madison▼c2025
■260  1▼aAnn  Arbor▼bProQuest  Dissertations  &  Theses▼c2025
■300    ▼a153  p
■500    ▼aSource:  Dissertations  Abstracts  International,  Volume:  87-06,  Section:  B.
■500    ▼aAdvisor:  Garand,  Etienne.
■5021  ▼aThesis  (Ph.D.)--The  University  of  Wisconsin  -  Madison,  2025.
■520    ▼aCryogenic  Ion  Vibrational  Spectroscopy  (CIVS)  is  a  technique  which  combines  the  sensitivity  and  selectivity  of  mass  spectrometry  (MS)  with  the  direct  structural  information  gained  from  infrared  (IR)  spectroscopy.  Messenger-tagged  cryogenic  complexes  are  irradiated  with  an  IR  laser  in  the  Reflectron  time-of-flight  (Re-TOF)  region  of  a  custom  mass  spectrometer,  and  the  photodissociation  of  the  ion-tag  complex  is  monitored  in  order  to  obtain  the  IR  spectrum.  Here,  we  present  an  alternative  instrument  for  CIVS  where  the  complexes  are  irradiated  inside  of  a  cryogenic  linear  quadrupole  ion  trap  driven  by  radiofrequency  (RF)  square  waves,  otherwise  known  as  digital  waves.In  contrast  to  traditional  CIVS  where  only  one  mass-to-charge  (m/z)  ion  packet  can  be  spectroscopically  probed  in  the  Reflectron  region,  this  instrument  is  equipped  to  perform  a  multiplexed  spectroscopy  experiment  where  multiple  m/z  species  are  probed  in  one  laser  scan.  In  the  Garand  group,  we  are  particularly  interested  in  studying  solvation  processes  in  the  gas  phase  by  clustering  amino  acids  and  small  polypeptides  with  water  in  cryogenic  ion  traps.  The  CIVS  technique  gives  specific  insight  into  how  molecular  structure  changes  with  solvation.  Expanding  to  a  multiplexed  spectroscopy  workflow  will  allow  for  a  higher  throughput  study  of  these  water  clusters,  where  every  other  m/z  cluster  is  investigated  in  one  experiment.The  Cryogenic  Digital  Linear  Ion  Trap  Mass  Spectrometer  (CD-LIT-MS)  described  here  is  equipped  with  digital  ion  trapping  (DIT)  technology  which  allows  the  frequency  to  be  scanned  for  mass  analysis,  fixing  the  amplitude  of  the  RF  square  waves  low  to  reduce  the  arcing  potential  under  cryogenic  conditions.  The  frequency  and  duty  cycle  of  the  RF  square  waves  can  be  adjusted  for  software-controlled  mass  filtration  and  isolation.  In  addition,  a  novel  square  complex  waveform  has  been  developed  to  perform  parametric  resonant  excitation.  We  demonstrate  how  this  waveform  can  perform  all  the  typical  functions  of  sinusoidal  complex  waveforms  such  as  selective  m/z  elimination  or  pre-ejection,  mass  isolation,  and  MS  resolution  enhancement.  The  square  parametric  excitation  technique  allows  us  to  precisely  eliminate  selected  m/z  and  therefore  perform  the  proof-of-concept  multiplexed  experiment  on  every  other  water  cluster.
■590    ▼aSchool  code:  0262.
■650  4▼aAnalytical  chemistry
■650  4▼aPhysical  chemistry
■650  4▼aChemistry
■653    ▼aDigital  ion  trapping
■653    ▼aInfrared  spectroscopy
■653    ▼aMass  spectrometry
■653    ▼aSolvent  clusters
■690    ▼a0486
■690    ▼a0494
■690    ▼a0485
■71020▼aThe  University  of  Wisconsin  -  Madison▼bChemistry.
■7730  ▼tDissertations  Abstracts  International▼g87-06B.
■790    ▼a0262
■791    ▼aPh.D.
■792    ▼a2025
■793    ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17360995▼nKERIS▼z이  자료의  원문은  한국교육학술정보원에서  제공합니다.

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