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Dimercaprol (BAL): Insights into conformational stability, fragmentation pathways via tandem LR-ESI, HR-EI mass spectrometry, and gas-phase thermochemical properties from quantum chemical calculations.

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Title: Dimercaprol (BAL): Insights into conformational stability, fragmentation pathways via tandem LR-ESI, HR-EI mass spectrometry, and gas-phase thermochemical properties from quantum chemical calculations.
Authors: Molano MF; Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia., Gómez Gómez AM; Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia., Moncayo-Lasso A; Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia., Bejarano CA; Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia., Diaz JE; Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia., Buendía-Atencio C; Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia., Delgado MÁ; Facultad de Ciencias y Educación, Universidad Distrital Francisco José de Caldas, Bogotá, Colombia., Lorett Velásquez VP; Facultad de Medicina y Ciencias de la Salud, Grupo de Investigación sobre Agentes Radiológicos, Biológicos y Químicos, Universidad Militar Nueva Granada, Bogotá, Colombia., Loaiza AE; Departamento de Química, Facultad de Ciencias, Pontificia Universidad Javeriana, Bogotá, Colombia., Mejía SM; Departamento de Química, Facultad de Ciencias, Pontificia Universidad Javeriana, Bogotá, Colombia.
Source: PloS one [PLoS One] 2026 Jun 01; Vol. 21 (6), pp. e0349950. Date of Electronic Publication: 2026 Jun 01 (Print Publication: 2026).
Publication Type: Journal Article
Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Molano+MF%22">Molano MF</searchLink>; Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia.<br /><searchLink fieldCode="AU" term="%22Gómez+Gómez+AM%22">Gómez Gómez AM</searchLink>; Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia.<br /><searchLink fieldCode="AU" term="%22Moncayo-Lasso+A%22">Moncayo-Lasso A</searchLink>; Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia.<br /><searchLink fieldCode="AU" term="%22Bejarano+CA%22">Bejarano CA</searchLink>; Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia.<br /><searchLink fieldCode="AU" term="%22Diaz+JE%22">Diaz JE</searchLink>; Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia.<br /><searchLink fieldCode="AU" term="%22Buendía-Atencio+C%22">Buendía-Atencio C</searchLink>; Departamento de Química, Facultad de Ciencias, Universidad Antonio Nariño, Bogotá, Colombia.<br /><searchLink fieldCode="AU" term="%22Delgado+MÁ%22">Delgado MÁ</searchLink>; Facultad de Ciencias y Educación, Universidad Distrital Francisco José de Caldas, Bogotá, Colombia.<br /><searchLink fieldCode="AU" term="%22Lorett+Velásquez+VP%22">Lorett Velásquez VP</searchLink>; Facultad de Medicina y Ciencias de la Salud, Grupo de Investigación sobre Agentes Radiológicos, Biológicos y Químicos, Universidad Militar Nueva Granada, Bogotá, Colombia.<br /><searchLink fieldCode="AU" term="%22Loaiza+AE%22">Loaiza AE</searchLink>; Departamento de Química, Facultad de Ciencias, Pontificia Universidad Javeriana, Bogotá, Colombia.<br /><searchLink fieldCode="AU" term="%22Mejía+SM%22">Mejía SM</searchLink>; Departamento de Química, Facultad de Ciencias, Pontificia Universidad Javeriana, Bogotá, Colombia.
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  Data: <searchLink fieldCode="JN" term="%22101285081%22">PloS one</searchLink> [PLoS One] 2026 Jun 01; Vol. 21 (6), pp. e0349950. <i>Date of Electronic Publication: </i>2026 Jun 01 (<i>Print Publication: </i>2026).
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