PMID- 29659284
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20180510
LR  - 20180510
IS  - 1948-7185 (Electronic)
IS  - 1948-7185 (Linking)
VI  - 9
IP  - 9
DP  - 2018 May 3
TI  - Accessing the Vibrational Signatures of Amino Acid Ions Embedded in Water 
      Clusters.
PG  - 2246-2250
LID - 10.1021/acs.jpclett.8b00738 [doi]
AB  - We present an infrared predissociation (IRPD) study of microsolvated 
      GlyH(+)(H(2)O) (n) and GlyH(+)(D(2)O) (n) clusters, formed inside of a cryogenic 
      ion trap via condensation of H(2)O or D(2)O onto the protonated glycine ions. The 
      resulting IRPD spectra, showing characteristic O-H and O-D stretches, indicate 
      that H/D exchange reactions are quenched when the ion trap is held at 80 K, 
      minimizing the presence of isotopomers. Comparisons of GlyH(+)(H(2)O) (n) and 
      GlyH(+)(D(2)O) (n) spectra clearly highlight and distinguish the vibrational 
      signatures of the water solvent molecules from those of the core GlyH(+) ion, 
      allowing for quick assessment of solvation structures. Without the aid of 
      calculations, we can already infer solvation motifs and the presence of multiple 
      conformations. The use of a cryogenic ion trap to cluster solvent molecules 
      around ions of interest and control H/D exchange reactions is broadly applicable 
      and should be extendable to studies of more complex peptidic ions in large 
      solvated clusters.
FAU - Voss, Jonathan M
AU  - Voss JM
AD  - Department of Chemistry , University of Wisconsin-Madison , 1101 University 
      Avenue , Madison , Wisconsin 53706 , United States.
FAU - Fischer, Kaitlyn C
AU  - Fischer KC
AD  - Department of Chemistry , University of Wisconsin-Madison , 1101 University 
      Avenue , Madison , Wisconsin 53706 , United States.
FAU - Garand, Etienne
AU  - Garand E
AUID- ORCID: 0000-0001-5062-5453
AD  - Department of Chemistry , University of Wisconsin-Madison , 1101 University 
      Avenue , Madison , Wisconsin 53706 , United States.
LA  - eng
PT  - Journal Article
DEP - 20180418
PL  - United States
TA  - J Phys Chem Lett
JT  - The journal of physical chemistry letters
JID - 101526034
EDAT- 2018/04/17 06:00
MHDA- 2018/04/17 06:01
CRDT- 2018/04/17 06:00
PHST- 2018/04/17 06:00 [pubmed]
PHST- 2018/04/17 06:01 [medline]
PHST- 2018/04/17 06:00 [entrez]
AID - 10.1021/acs.jpclett.8b00738 [doi]
PST - ppublish
SO  - J Phys Chem Lett. 2018 May 3;9(9):2246-2250. doi: 10.1021/acs.jpclett.8b00738. 
      Epub 2018 Apr 18.