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Advances on Thirdhand Smoke Using Targeted and Untargeted Approaches

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ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené ADVERTIMENT. L'accés als continguts d'aquesta tesi doctoral i la seva utilització ha de respectar els drets de la persona autora. Pot ser utilitzada per a consulta o estudi personal, així com en activitats o materials d'investigació i docència en els termes establerts a l'art. 32 del Text Refós de la Llei de Propietat Intel·lectual (RDL 1/1996). Per altres utilitzacions es requereix l'autorització prèvia i expressa de la persona autora. En qualsevol cas, en la utilització dels seus continguts caldrà indicar de forma clara el nom i cognoms de la persona autora i el títol de la tesi doctoral. No s'autoritza la seva reproducció o altres formes d'explotació efectuades amb finalitats de lucre ni la seva comunicació pública des d'un lloc aliè al servei TDX. Tampoc s'autoritza la presentació del seu contingut en una finestra o marc aliè a TDX (framing). Aquesta reserva de drets afecta tant als continguts de la tesi com als seus resums i índexs. ADVERTENCIA. El acceso a los contenidos de esta tesis doctoral y su utilización debe respetar los derechos de la persona autora. Puede ser utilizada para consulta o estudio personal, así como en actividades o materiales de investigación y docencia en los términos establecidos en el art. 32 del Texto Refundido de la Ley de Propiedad Intelectual (RDL 1/1996). Para otros usos se requiere la autorización previa y expresa de la persona autora. En cualquier caso, en la utilización de sus contenidos se deberá indicar de forma clara el nombre y apellidos de la persona autora y el título de la tesis doctoral. No se autoriza su reproducción u otras formas de explotación efectuadas con fines lucrativos ni su comunicación pública desde un sitio ajeno al servicio TDR. Tampoco se autoriza la presentación de su contenido en una ventana o marco ajeno a TDR (framing). Esta reserva de derechos afecta tanto al contenido de la tesis como a sus resúmenes e índices. WARNING. Access to the contents of this doctoral thesis and its use must respect the rights of the author. It can be used for reference or private study, as well as research and learning activities or materials in the terms established by the 32nd article of the Spanish Consolidated Copyright Act (RDL 1/1996). Express and previous authorization of the author is required for any other uses. In any case, when using its content, full name of the author and title of the thesis must be clearly indicated. Reproduction or other forms of for profit use or public communication from outside TDX service is not allowed. Presentation of its content in a window or frame external to TDX (framing) is not authorized either. These rights affect both the content of the thesis and its abstracts and indexes. UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené Advances on Thirdhand Smoke using Targeted and Untargeted Approaches Sònia Torres Gené DOCTORAL THESIS 2020-2021 UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené Sònia Torres Gené Advances on Thirdhand Smoke using targeted and untargeted approaches DOCTORAL THESIS Supervised by Dr. Noelia Ramírez and Dr. Xavier Correig Departament d’Enginyeria EleCtròniCa, ElèCtriCa i AutomàtiCa Tarragona 2021 UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené Escola Tècnica Superior d’Enginyeria Departament d’Enginyeria Electrònica, Elèctrica i Automàtica Av. Països Catalans 26 Campus Sescelades 43007 Tarragona We STATE that the present study, entitled: Advances on thirdhand smoke using targeted and untargeted approaches, presented by Sònia Torres Gené for the award of the degree of Doctor, has been carried out under our supervision at the Department of Electronic, Electric and Automatic Engineering (DEEEA) of this university and meets the requirements to qualify for International Mention. Tarragona, March 2021 Doctoral thesis supervisors Dr. Noelia Ramírez González Dr. Francesc Xavier Correig Blanchar UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené ACKNOWLEDGMENTS Aquest matí, després d’un llarg dia de muntatge de documents, he enviat per fi la penúltima versió d’aquesta tesi, dient als meus directors que esperaba tenir els agraïements escrits per divendres, no sabia que posar! Després he escrit un wats app al grup dels companys donant-los la noticia de que això que tant a costat ja casi està aquí! Ràpidament alguns de vosaltres m’heu escrit per privat per quedar, fer un café i veuren’s les cares. Llavors m’he adoant de que ho tenia clar, lo millor d’aquesta tesi, sou vosaltres, cada una de les persones que he conegut en aquest llarg camí. Que aquesta es l apart bona de que hagi set llarg, que n’he conegut moltes! Vaig aterrar a un Búnquer ple de nois, el “Dream team” dels programadors, titulars: Xavi Domingo, Pere RàFols, Daniel Cañueto, Josep Gómez, Rubén Barrilero i Didac Vilalta, i jo allí, sense tenir ni idea de que era l’R! El Xavi es va oferir a fer-me unes classes, el Pere algún cop també va intentar alguna cosa…pero nois, ho sento pero no era lo meu! Això si, no he pogut riure més amb vosaltres, ni passar-m’ho millor en cada un dels cafés, sopars i moments que he compartit amb vosaltres. Sobretot vull agrair al Pere, la seva paciencia ensenyant-me com funcionava el MALDI i el ggplot del’R, ha estat tot un paler ser la teva companya de taula tants anys! També volia donar les gràcies a tots els que heu anat entrant després, María, Lluch, Gerard Alex i Carla. Alex! Many thanks! I’ll never forget our time in Florence! Carla, eres la persona mas trabajadora, buena, amable y generosa que he conocido (¡y mira que soy mayor!). Muchas gracias UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené por todas las veces que me has ayudado, te deseo lo mejor y mucho ánimo que en nada estas acabando tu tesis! Y por último quiero agradecer miles de cosas a Sara, gracias por enseñarme mucho de lo que sé de metabolomica, Q-TOF, RMN y R. Pero sobretodo gracias por haberte convertido en una gran amiga y por estar ahí siempre y para todo. UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené “Research is what I’m doing when I don’t know what I’m doing” Wernher von Braun UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené ABSTRACT Thirdhand smoke (THS) is a novel way of exposure to tobacco smoke compounds little known in our society. THS contamination begins when cigarette smoke is extinguished and airborne compounds deposit on surfaces near to the smoking area. These compounds remain for long periods of time in indoor environments, leading to their aging and the possibility of reacting with other compounds present in the environment to form secondary pollutants that could be more toxic than primary compounds. This type of contamination is of especial concern in homes of children with smoking parents, since the ways of exposure to THS toxicants are ingestion, dermal absorption and inhalation. Consequently, children habits like crawling, playing on the floor or bringing objects to mouth turns them into the most vulnerable population. Hence, it is crucial to have a broader knowledge of this type of contamination and the health effects associated to THS exposure, to protect children and people who live with smokers from this source of exposure. Tobacco smoke is made up of thousands of compounds and many of them toxic and carcinogen. To date, research on the chemical characterization of THS has been mostly focused on the analysis of tobacco-specific compounds, as nicotine and carcinogenic tobacco specific nitrosamines (TSNAs). Since these compounds are found at very low concentrations in the environment and present different physic- chemical characteristics, robust and sensitive analytical methods are required for their determination. For the assessment of THS-induced health effects, research has mainly focused on the determination of exposure biomarkers in biological matrices and the evaluation of known X UNIVERSITAT ROVIRA I VIRGILI ADVANCES ON THIRDHAND SMOKE USING TARGETED AND UNTARGETED APPROACHES Sònia Torres Gené health markers in vivo and in vitro models to characterize the health effects derived from THS exposure. However, for a comprehensive characterization of THS it is crucial the use more holistic approaches to achieve a better assessment of the risks associated to THS exposure and to broaden the current knowledge of THS-induced damage and health effects. Hence, the main objective of this thesis is to advance on the current knowledge of THS by using novel target and untargeted approaches. To accomplish that, this thesis has been divided in two secondary objectives: to improve the chemical characterization of THS, and to advance on the health effects derived from THS exposure.
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  • Some Tobacco-Specific N-Nitrosamines

    Some Tobacco-Specific N-Nitrosamines

    SOME TOBACCO-SPECIFIC N-NITROSAMINES SOME TOBACCO-SPECIFIC N-NITROSAMINES Four tobacco-specific N-nitrosamines (TSNA), namely, 4-(methylnitrosamino)-1-(3- pyridyl)-1-butanone (NNK), N′-nitrosonornicotine (NNN), N′-nitrosoanabasine (NAB) and N′-nitrosoanatabine (NAT) were considered by a previous Working Group in October 1984 (IARC, 1985). Since that time, new data have become available and are presented in this monograph. In addition to these compounds, new TSNA have been identified (Figure 1) and their concentrations in tobacco and tobacco smoke have been assessed. The occurrence of 4- (methylnitrosamino)-4-(3-pyridyl)butyric acid (iso-NNAC), 4-(methylnitrosamino)-4-(3- pyridyl)-1-butanol (iso-NNAL) and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) in tobacco is reported in the monograph on Smokeless Tobacco; however, as a result of the limited data available, these TSNA have not been considered in the present evaluation. This monograph does not consider the exposure of workers involved in the production of these compounds, which are used solely for laboratory research purposes. 1. Exposure Data 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) 1.1 Chemical and physical data 1.1.1 Synonyms and trade names Chem. Abstr. Services Reg. No.: 64091-91-4 Chem. Abstr. Name: 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)- IUPAC Systematic Name: 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone Synonym: 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone –421– 422 IARC MONOGRAPHS VOLUME 89 1.1.2 Structural and molecular formulae and relative molecular mass ONCH3 NO N C10H13N3O2 Relative molecular mass: 207.2 1.1.3 Chemical and physical properties of the pure substance From Toronto Research Chemicals (2005, 2006), unless otherwise specified (a) Description: Light-yellow crystalline solid (b) Melting-point: 61–63 °C (c) Spectroscopy data: Infrared, nuclear magnetic resonance and mass spectra have been reported (IARC, 1985).