PMID- 30927182
OWN - NLM
STAT- MEDLINE
DCOM- 20200106
LR  - 20200225
IS  - 1879-1123 (Electronic)
IS  - 1044-0305 (Linking)
VI  - 30
IP  - 8
DP  - 2019 Aug
TI  - Temperature-Dependent DART-MS Analysis of Sexual Lubricants to Increase Accurate 
      Associations.
PG  - 1343-1358
LID - 10.1007/s13361-019-02158-x [doi]
AB  - The analysis of lubricant evidence is a recent development in sexual assault 
      investigations and in the absence of any biological evidence may assist in 
      linking an assailant to the victim or crime scene. An ambient ionization 
      technique, high-resolution direct analysis in real-time mass spectrometry 
      (HR-DART-MS), was employed to characterize a sample set of 33 water-based 
      lubricants. As lubricants are complex multicomponent mixtures, this study 
      investigated if different thermal desorption temperatures could elucidate 
      different additives and provide additional information. A low-temperature, 
      high-temperature, and thermal desorption/pyrolysis DART-MS protocol was used to 
      characterize the water-based lubricant sample set. The strength of the 
      methodologies was evaluated using positive and negative likelihood ratios that 
      were calculated from inter- and intra-pairwise comparisons using Pearson 
      correlation coefficients. The low-temperature DART-MS protocol afforded valuable 
      information pertaining to volatile additives (e.g., flavors and fragrances) and 
      provided positive likelihood ratios that would provide strong support for true 
      positive and negatives than the high-temperature protocol when associating 
      between individual samples and samples to their respective sub-groupings. The 
      thermal desorption/pyrolysis DART analytical protocol provided enhanced 
      differentiation between samples due to the precise temperature control using a 
      thermal gradient. Moreover, the total ion spectra obtained from the thermal 
      desorption/pyrolysis protocol, not only had high positive and negative likelihood 
      ratios, this method also provided the most discrimination as determined by 
      empirical cross entropy plots. Graphical Abstract.
FAU - Bridge, Candice
AU  - Bridge C
AUID- ORCID: 0000-0002-0472-3025
AD  - Department of Chemistry, University of Central Florida, 4000 Central Florida 
      Blvd, Orlando, FL, 32816, USA. cbridge@ucf.edu.
AD  - National Center for Forensic Science, University of Central Florida, PO Box 
      162367, Orlando, FL, 32816-2367, USA. cbridge@ucf.edu.
FAU - Maric, Mark
AU  - Maric M
AD  - National Center for Forensic Science, University of Central Florida, PO Box 
      162367, Orlando, FL, 32816-2367, USA.
LA  - eng
GR  - 2016-DN-BX-0001/National Institute of Justice/
PT  - Journal Article
DEP - 20190329
PL  - United States
TA  - J Am Soc Mass Spectrom
JT  - Journal of the American Society for Mass Spectrometry
JID - 9010412
RN  - 0 (Excipients)
RN  - 0 (Lubricants)
RN  - 059QF0KO0R (Water)
SB  - IM
EIN - J Am Soc Mass Spectrom. 2019 Jul;30(7):1336. PMID: 31062290
MH  - Equipment Design
MH  - Excipients/chemistry
MH  - Forensic Sciences
MH  - Lubricants/*chemistry
MH  - Mass Spectrometry/instrumentation/methods
MH  - Temperature
MH  - Water/chemistry
OTO - NOTNLM
OT  - HR-DART-MS
OT  - Likelihood ratios
OT  - Lubricant analysis
OT  - Pearson correlation
EDAT- 2019/03/31 06:00
MHDA- 2020/01/07 06:00
CRDT- 2019/03/31 06:00
PHST- 2018/12/28 00:00 [received]
PHST- 2019/02/12 00:00 [accepted]
PHST- 2019/02/12 00:00 [revised]
PHST- 2019/03/31 06:00 [pubmed]
PHST- 2020/01/07 06:00 [medline]
PHST- 2019/03/31 06:00 [entrez]
AID - 10.1007/s13361-019-02158-x [pii]
AID - 10.1007/s13361-019-02158-x [doi]
PST - ppublish
SO  - J Am Soc Mass Spectrom. 2019 Aug;30(8):1343-1358. doi: 
      10.1007/s13361-019-02158-x. Epub 2019 Mar 29.