title: Mass Spectrometry-Based Visualization of Molecules Associated with Human Habitats.
abstract: The cars we drive, the homes we live in, the restaurants we visit, and the laboratories and offices we work in are all a part of the modern human habitat. Remarkably, little is known about the diversity of chemicals present in these environments and to what degree molecules from our bodies influence the built environment that surrounds us and vice versa. We therefore set out to visualize the chemical diversity of five built human habitats together with their occupants, to provide a snapshot of the various molecules to which humans are exposed on a daily basis. The molecular inventory was obtained through untargeted liquid chromatography-tandem mass spectrometry (LC-MS/MS) analysis of samples from each human habitat and from the people that occupy those habitats. Mapping MS-derived data onto 3D models of the environments showed that frequently touched surfaces, such as handles (e.g., door, bicycle), resemble the molecular fingerprint of the human skin more closely than other surfaces that are less frequently in direct contact with humans (e.g., wall, bicycle frame). Approximately 50% of the MS/MS spectra detected were shared between people and the environment. Personal care products, plasticizers, cleaning supplies, food, food additives, and even medications that were found to be a part of the human habitat. The annotations indicate that significant transfer of chemicals takes place between us and our built environment. The workflows applied here will lay the foundation for future studies of molecular distributions in medical, forensic, architectural, space exploration, and environmental applications.
authors.affiliation: UCSD Collaborative Mass Spectrometry Innovation Center, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Daniel
authors.initials: D
authors.lastname: Petras
authors.affiliation: UCSD Collaborative Mass Spectrometry Innovation Center, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Louis-Félix
authors.initials: LF
authors.lastname: Nothias
authors.affiliation: UCSD Collaborative Mass Spectrometry Innovation Center, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Robert A
authors.initials: RA
authors.lastname: Quinn
authors.affiliation: UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|Structural and Computational Biology, EMBL, Meyerhofstrasse 1, 69117 Heidelberg, German y.|SCiLS GmbH , Fahrenheitstrasse 1, 28359 Bremen, Germany.
authors.forename: Theodore
authors.initials: T
authors.lastname: Alexandrov
authors.affiliation: UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD Department of Computer Science, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Nuno
authors.initials: N
authors.lastname: Bandeira
authors.affiliation: UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Amina
authors.initials: A
authors.lastname: Bouslimani
authors.affiliation: Scripps Institution of Oceanography, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Gabriel
authors.initials: G
authors.lastname: Castro-Falcón
authors.affiliation: UCSD Collaborative Mass Spectrometry Innovation Center, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Liangyu
authors.initials: L
authors.lastname: Chen
authors.affiliation: UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|TU Berlin , Institut für Chemie, Strasse des 17. Juni 124, 10623 Berlin, Germany.
authors.forename: Tam
authors.initials: T
authors.lastname: Dang
authors.affiliation: UCSD Mathematics Undergraduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Dimitrios J
authors.initials: DJ
authors.lastname: Floros
authors.affiliation: UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Vivian
authors.initials: V
authors.lastname: Hook
authors.affiliation: Facultad de Medicina de la Universidad Autónoma de Madrid . Calle del Arzobispo Morcillo 4. 28029 Madrid, Spain.
authors.forename: Neha
authors.initials: N
authors.lastname: Garg
authors.affiliation: UCSD Neurosciences Graduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Nicole
authors.initials: N
authors.lastname: Hoffner
authors.affiliation: UCSD Biological Sciences Graduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Yike
authors.initials: Y
authors.lastname: Jiang
authors.affiliation: UCSD Chemistry and Biochemistry, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Clifford A
authors.initials: CA
authors.lastname: Kapono
authors.affiliation: Scripps Institution of Oceanography, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Irina
authors.initials: I
authors.lastname: Koester
authors.affiliation: UCSD Department of Computer Science, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD Department of Pediatrics, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD Center for Microbiome Innovation, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Rob
authors.initials: R
authors.lastname: Knight
authors.affiliation: Scripps Institution of Oceanography, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Christopher A
authors.initials: CA
authors.lastname: Leber
authors.affiliation: Facultad de Medicina de la Universidad Autónoma de Madrid . Calle del Arzobispo Morcillo 4. 28029 Madrid, Spain.|State Key Laboratory of Tea Plant Biology and Utilization, Anhui Agricultural University , 130 West Changjiang Road Hefei 230036, P. R. China.
authors.forename: Tie-Jun
authors.initials: TJ
authors.lastname: Ling
authors.affiliation: Facultad de Medicina de la Universidad Autónoma de Madrid . Calle del Arzobispo Morcillo 4. 28029 Madrid, Spain.
authors.forename: Tal
authors.initials: T
authors.lastname: Luzzatto-Knaan
authors.affiliation: UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Laura-Isobel
authors.initials: LI
authors.lastname: McCall
authors.affiliation: UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Aaron P
authors.initials: AP
authors.lastname: McGrath
authors.affiliation: Facultad de Medicina de la Universidad Autónoma de Madrid . Calle del Arzobispo Morcillo 4. 28029 Madrid, Spain.
authors.forename: Michael J
authors.initials: MJ
authors.lastname: Meehan
authors.affiliation: UCSD Neurosciences Graduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Jonathan K
authors.initials: JK
authors.lastname: Merritt
authors.affiliation: UCSD Biomedical Sciences Graduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Robert H
authors.initials: RH
authors.lastname: Mills
authors.affiliation: UCSD Department of Computer Science, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Jamie
authors.initials: J
authors.lastname: Morton
authors.affiliation: UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Sonia
authors.initials: S
authors.lastname: Podvin
authors.affiliation: Structural and Computational Biology, EMBL, Meyerhofstrasse 1, 69117 Heidelberg, German y.
authors.forename: Ivan
authors.initials: I
authors.lastname: Protsyuk
authors.affiliation: Scripps Institution of Oceanography, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Trevor
authors.initials: T
authors.lastname: Purdy
authors.affiliation: UCSD Biomedical Sciences Graduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD Department of Pharmacology, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Kendall
authors.initials: K
authors.lastname: Satterfield
authors.affiliation: UCSD Department of Pathology, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD Biomedical Sciences Graduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Stephen
authors.initials: S
authors.lastname: Searles
authors.affiliation: UCSD Neurosciences Graduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD School of Medicine, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Sahil
authors.initials: S
authors.lastname: Shah
authors.affiliation: UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD Biomedical Sciences Graduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Sarah
authors.initials: S
authors.lastname: Shires
authors.affiliation: UCSD Biomedical Sciences Graduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Dana
authors.initials: D
authors.lastname: Steffen
authors.affiliation: Scripps Institution of Oceanography, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Margot
authors.initials: M
authors.lastname: White
authors.affiliation: UCSD Department of Pharmacology, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Jelena
authors.initials: J
authors.lastname: Todoric
authors.affiliation: Scripps Institution of Oceanography, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
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authors.initials: R
authors.lastname: Tuttle
authors.affiliation: Facultad de Medicina de la Universidad Autónoma de Madrid . Calle del Arzobispo Morcillo 4. 28029 Madrid, Spain.
authors.forename: Aneta
authors.initials: A
authors.lastname: Wojnicz
authors.affiliation: UCSD Biomedical Sciences Graduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Valerie
authors.initials: V
authors.lastname: Sapp
authors.affiliation: UCSD Biological Sciences Graduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Fernando
authors.initials: F
authors.lastname: Vargas
authors.affiliation: UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Jin
authors.initials: J
authors.lastname: Yang
authors.affiliation: UCSD Bioengineering Undergraduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD Mathematics Undergraduate Program, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Chao
authors.initials: C
authors.lastname: Zhang
authors.affiliation: UCSD Collaborative Mass Spectrometry Innovation Center, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.|UCSD Center for Microbiome Innovation, University of California San Diego , 9500 Gilman Drive, La Jolla, California 92093, United States.
authors.forename: Pieter C
authors.initials: PC
authors.lastname: Dorrestein
mesh_terms: D002853:Chromatography, Liquid; D017753:Ecosystem; D006801:Humans; D007477:Ions / Q000032:analysis; D013058:Mass Spectrometry; D009930:Organic Chemicals / Q000032:analysis* / Q000737:chemistry*; D053719:Tandem Mass Spectrometry
chemical_list: D007477:Ions; D009930:Organic Chemicals