دورية أكاديمية
أعرض في EDS

A Combined Study of Headspace Volatiles using Human Sensory, Mass Spectrometry and Chemometrics.

التفاصيل البيبلوغرافية
العنوان: A Combined Study of Headspace Volatiles using Human Sensory, Mass Spectrometry and Chemometrics.
المؤلفون: McAdam KG; McAdam Scientific Ltd., 50 Leigh Road, Eastleigh, SO509DT, UK. kevin@mcadamscience.com., Tetteh J; DiKnow Ltd., 84 Rushdean Road, Rochester, Kent, ME2 2QB, United Kingdom., Bishop L; Research and Development, British American Tobacco Investments Ltd., Regents Park Road, Southampton, SO15 8TL, UK., Digard H; Research and Development, British American Tobacco Investments Ltd., Regents Park Road, Southampton, SO15 8TL, UK., Cote J; Research and Development, British American Tobacco Investments Ltd., Regents Park Road, Southampton, SO15 8TL, UK., Lubbe S; Department of Statistical Sciences, University of Cape Town, Rondebosch, 7701, South Africa., Liu C; Research and Development, British American Tobacco Investments Ltd., Regents Park Road, Southampton, SO15 8TL, UK.
المصدر: Scientific reports [Sci Rep] 2020 May 08; Vol. 10 (1), pp. 7773. Date of Electronic Publication: 2020 May 08.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE
أسماء مطبوعة: Original Publication: London : Nature Publishing Group, copyright 2011-
مواضيع طبية MeSH: Mass Spectrometry*/methods , Smell* , Smoking*, Volatile Organic Compounds/*analysis, Cluster Analysis ; Gas Chromatography-Mass Spectrometry ; Humans ; Olfactory Perception ; Solid Phase Microextraction ; Volatile Organic Compounds/classification ; Volatile Organic Compounds/isolation & purification
مستخلص: Smokeless tobacco products (STPs) are widely used in certain parts of the world, yet there is limited understanding of how they are consumed, particularly the impact of chemosensory characteristics on their use. In order to develop an understanding of the drivers of STP use and product acceptability we conducted both human sensory panel testing and chemical analyses on a range of STPs. Free-sorting paired odour testing using sensory panellists identified similarities and clear differences between eleven different STPs. Headspace volatiles, analysed by headspace solid-phase microextraction gas chromatography mass spectrometry (HS-SPME-GC-MS), identified 20 to 70 components depending upon the STP. Key differences in headspace volatiles were found between STPs. For example, the headspace of Skoal Bandits Wintergreen was dominated by methyl salicylate, while Marlboro Spice consists of a more complex profile including pinene, nicotine, eugenol and cymene. Chemometric Target Factor Analysis (TFA) and Hierarchical Cluster Analysis (HCA) of chemistry and sensory data was used to deduce chemical drivers of sensory perceptions. The chemometric strategy used showed that headspace analysis is a complementary screening tool to sensory analysis in classification studies. This study is generic with applications across various product sectors that require routine human sensory panel evaluation.
References: Titz, B. et al. Effects of cigarette smoke, cessation, and switching to two heat-not-burn tobacco products on lung lipid metabolism in C57BL/6 and Apoe−/− Mice—an integrative systems toxicology analysis. Toxicol. 149, 441–457 (2016). (PMID: 10.1093/toxsci/kfv244)
McAdam, K., Murphy, J., Eldridge, A., Meredith, C. & Proctor, C. Integrating chemical, toxicological and clinical research to assess the potential of reducing health risks associated with cigarette smoking through reducing toxicant emissions. Regul. Toxicol. Pharmacol. 95, 102–114 (2018). (PMID: 2952681410.1016/j.yrtph.2018.03.005)
McNeill, A. & Munafò, M. R. Reducing harm from tobacco use. J. Psychopharmacol. 27, 13–18 (2013). (PMID: 2303503210.1177/0269881112458731)
Chapman, S. L. C. & Wu, L.-T. E-cigarette prevalence and correlates of use among adolescents versus adults: a review and comparison. J. Psychiatr. Res. 54, 43–54 (2014). (PMID: 405556610.1016/j.jpsychires.2014.03.0054055566)
Margham, J. et al. Chemical composition of aerosol from an e-cigarette: a quantitative comparison with cigarette smoke. Chem. Res. Toxicol. 29, 1662–1678 (2016). (PMID: 2764176010.1021/acs.chemrestox.6b00188)
Forster, M. et al. Assessment of novel tobacco heating product THP1. 0. Part 3: Comprehensive chemical characterisation of harmful and potentially harmful aerosol emissions. Regul. Toxicol. Pharmacol. 93, 14–33 (2018). (PMID: 2908084810.1016/j.yrtph.2017.10.006)
Royal College of Physicians Harm Reduction in nicotine addiction: helping people who can’t quit. A report by the Tobacco Advisory Group of the Royal College of Physicians, (RCP (2007).
Lee, P. N. Epidemiological evidence relating snus to health–an updated review based on recent publications. Harm Reduct. J. 10, 36–42 (2013). (PMID: 24314326402922610.1186/1477-7517-10-36)
IARC Smokeless Tobacco and some tobacco specific N’-nitrosamines. IARC Monographs on the evaluation of carcinogenic risks to humans, vol 89, (IARC Press, Lyon (2007).
Liu, C., McAdam, K. G. & Perfetti, T. A. Some recent topics in cigarette smoke science. Mini-Rev. Org. Chem. 8, 349–359 (2011). (PMID: 10.2174/157019311797440272)
McAdam, K. et al. Comprehensive survey of radionuclides in contemporary smokeless tobacco products. Chem. Cent. J. 11, 131 (2017). (PMID: 29256072573504510.1186/s13065-017-0359-0)
Science Daily. ‘Snus’ use in Norway has tripled in five years. Available: www.sciencedaily.com/releases/2014/11/141120081951.html . (2014).
CBC News, Norwegian Institute of Public Health. ‘Snus’ smokeless tobacco product coming to Canada. Available: http://www.cbc.ca/news/snus-smokeless-tobacco-product-coming-to-canada-1.660464 (2007).
Global Information Inc. Smokeless Tobacco in South Africa, 2017. https://www.giiresearch.com/report/gd356049-smokeless-tobacco-south-africa.html (2017).
Klus, H., Kunze, M., König, S. & Pöschl, E. Smokeless tobacco - An overview. Beiträge zur Tabakforschung/Contributions to Tobacco Research 23, 248–276 (2009). (PMID: 10.2478/cttr-2013-0865)
A. Rodgman and T. A. Perfetti, The chemical components of tobacco and tobacco smoke (CRC press (2013).
Chamberlain, W. J., Schlotzhauer, W. S. & Chortyk, O. T. Chemical composition of nonsmoking tobacco products. J. Agr. Food Chem. 36, 48–50 (1988). (PMID: 10.1021/jf00079a012)
McAdam, K. G., Faizi, A., Kimpton, H., Porter, A. & Rodu, B. Polycyclic aromatic hydrocarbons in US and Swedish smokeless tobacco products. Chem. Cent. J. 7, 151 (2013). (PMID: 24011230387483210.1186/1752-153X-7-151)
McAdam, K. et al. Analysis of hydrazine in smokeless tobacco products by gas chromatography–mass spectrometry. Chem. Cent. J. 9, 13 (2015). (PMID: 25780382436119410.1186/s13065-015-0089-0)
Richter, P., Hodge, K., Stanfill, S., Zhang, L. & Watson, C. Surveillance of moist snuff: total nicotine, moisture, pH, un-ionized nicotine, and tobacco-specific nitrosamines. Nicotine Tob. Res. 10, 1645–1652 (2008). (PMID: 1898807710.1080/14622200802412937)
Stepanov, I., Jensen, J., Hatsukami, D. & Hecht, S. S. New and traditional smokeless tobacco: comparison of toxicant and carcinogen levels. Nicotine Tob. Res. 10, 1773–1782 (2008). (PMID: 19023828289283510.1080/14622200802443544)
Tomatis, L., Aitio, A., Wilbourn, J. & Shuker, L. Human carcinogens so far identified. Cancer Sci. 80, 795–807 (1989).
McAdam, K. et al. The acrylamide content of smokeless tobacco products. Chem. Cent. J. 9, 56 (2015). (PMID: 26473006460211510.1186/s13065-015-0132-1)
Stepanov, I. & Hatsukami, D. Call to establish constituent standards for smokeless tobacco products. Tobacco Regulatory. Science 2, 9–30 (2016). (PMID: 10.1017/dsj.2016.9)
Food & Administration, D. Regulations restricting the sale and distribution of cigarettes and smokeless tobacco to protect children and adolescents. Final rule. Federal Register 75(no. 53), 13225 (2010).
Mariner, D., Ashley, M., Shepperd, C., Mullard, G. & Dixon, M. Mouth level smoke exposure using analysis of filters from smoked cigarettes: A study of eight countries. Regul. Toxicol. Pharmacol. 61, S39–S50 (2011). (PMID: 2051032310.1016/j.yrtph.2010.05.006)
Shepperd, C. J. et al. A study to estimate and correlate cigarette smoke exposure in smokers in Germany as determined by filter analysis and biomarkers of exposure. Regul. Toxicol. Pharmacol. 55, 97–109 (2009). (PMID: 1953900410.1016/j.yrtph.2009.06.006)
Digard, H., Errington, G., Richter, A. & McAdam, K. Patterns and behaviors of snus consumption in Sweden. Nicotine Tob. Res. 11, 1178–81 (2009). (PMID: 10.1093/ntr/ntp118)
Digard, H., Gale, N., Errington, G., Peters, N. & McAdam, K. Multi-analyte approach for determining the extraction of tobacco constituents from pouched snus by consumers during use. Chem. Cent. J. 7, 55 (2013). (PMID: 23548061361813910.1186/1752-153X-7-55)
Kilcast, D. Sensory analysis for food and beverage quality control: a practical guide. (Elsevier (2010).
Delarue, J., Lawlor, B., and Rogeaux, M. Rapid sensory profiling techniques: Applications in new product development and consumer research (Elsevier (2014).
Sensory Evaluation Techniques, 5th Edition. Meilgaard, M. C., Civille, G. V. & Thomas Carr, B., Eds. CRC Press (2015).
Rodgman, A., and Perfetti, T. A. The chemical components of tobacco and tobacco smoke (CRC press (2016).
Kataoka, H., Lord, H. L. & Pawliszyn, J. Applications of solid-phase microextraction in food analysis. J. Chromatogr. A. 880, 35–62 (2000). (PMID: 1089050910.1016/S0021-9673(00)00309-5)
Plutowska, B. & Wardencki, W. Headspace solid‐phase microextraction and gas chromatography–olfactometry analysis of raw spirits of different organoleptic quality. Flavour Frag. J. 24, 177–185 (2009). (PMID: 10.1002/ffj.1930)
Zeng, Z., Zhang, H., Zhang, T., Tamogami, S. & Chen, J. Y. Analysis of flavor volatiles of glutinous rice during cooking by combined gas chromatography–mass spectrometry with modified headspace solid-phase microextraction method. J. Food Compos. Anal. 22, 347–353 (2009). (PMID: 10.1016/j.jfca.2008.11.020)
Mirhosseini, H. & Tan, C. P. Response surface methodology and multivariate analysis of equilibrium headspace concentration of orange beverage emulsion as function of emulsion composition and structure. Food chem. 115, 324–333 (2009). (PMID: 10.1016/j.foodchem.2008.11.090)
Wong, S. W., Yu, B., Curran, P. & Zhou, W. Characterising the release of flavour compounds from chewing gum through HS-SPME analysis and mathematical modelling. Food Chem. 114, 852–858 (2009). (PMID: 10.1016/j.foodchem.2008.10.030)
Risticevic, S., Niri, V. H., Vuckovic, D. & Pawliszyn, J. Recent developments in solid-phase microextraction. Anal. Bioanal. Chem. 393, 781–795 (2009). (PMID: 1883670610.1007/s00216-008-2375-318836706)
Procida, G., Giomo, A., Cichelli, A. & Conte, L. S. Study of volatile compounds of defective virgin olive oils and sensory evaluation: a chemometric approach. J. Sci. Food Agr. 85, 2175–2183 (2005). (PMID: 10.1002/jsfa.2122)
Elsaesser, R. & Paysan, J. The sense of smell, its signalling pathways, and the dichotomy of cilia and microvilli in olfactory sensory cells. BMC Neurosci. 8, S1 (2007). (PMID: 17903277199545510.1186/1471-2202-8-S3-S1)
Berrueta, L. A., Alonso-Salces, R. M. & Héberger, K. Supervised pattern recognition in food analysis. J. Chromatogr. A. 1158, 196–214 (2007). (PMID: 1754039210.1016/j.chroma.2007.05.024)
Lozano, J., Arroyo, T., Santos, J., Cabellos, J. & Horrillo, M. Electronic nose for wine ageing detection. Sensors and Actuators B: Chemical. 133, 180–186 (2008). (PMID: 10.1016/j.snb.2008.02.011)
Malinowski, E. R. Factor analysis in chemistry. (Wiley (2002).
Hantao, L. W. et al. Multivariate curve resolution combined with gas chromatography to enhance analytical separation in complex samples: A review. Anal. Chim. Acta. 731, 11–23 (2012). (PMID: 2265226010.1016/j.aca.2012.04.003)
Zhang, X., de Juan, A. & Tauler, R. Multivariate Curve Resolution Applied to Hyperspectral Imaging Analysis of Chocolate Samples. Appl. spectrosc. 69, 993–1003 (2015). (PMID: 2616269310.1366/14-07819)
Tetteh, J. et al. Local examination of skin diffusion using FTIR spectroscopic imaging and multivariate target factor analysis. Anal. Chim. Acta. 642, 246–256 (2009). (PMID: 1942748310.1016/j.aca.2009.03.002)
de Veij, M. et al. Fast detection and identification of counterfeit antimalarial tablets by Raman spectroscopy. J. Raman Spectrosc. 38, 181–187 (2007). (PMID: 10.1002/jrs.1621)
Van Vuuren, S., Kamatou, G. & Viljoen, A. Volatile composition and antimicrobial activity of twenty commercial frankincense essential oil samples. S. Afr. J. Bot. 76, 686–691 (2010). (PMID: 10.1016/j.sajb.2010.06.001)
Zhu, W. et al. A whole genome transcriptional analysis of the early immune response induced by live attenuated and inactivated influenza vaccines in young children. Vaccine 28, 2865–2876 (2010). (PMID: 2015379410.1016/j.vaccine.2010.01.060)
Manly, B. F. Multivariate statistical methods: a primer. (CRC Press (2004).
Hardy, A. On the number of clusters. Comput. Stat. Data An. 23, 83–96 (1996). (PMID: 10.1016/S0167-9473(96)00022-9)
Ballester, J., Abdi, H., Langlois, J., Peyron, D. & Valentin, D. The odor of colors: Can wine experts and novices distinguish the odors of white, red, and rosé wines? Chemosens. Percept. 2, 203 (2009). (PMID: 10.1007/s12078-009-9058-0)
Cartier, R. et al. Sorting procedure as an alternative to quantitative descriptive analysis to obtain a product sensory map. Food qual. and pref. 17, 562–571 (2006). (PMID: 10.1016/j.foodqual.2006.03.020)
Chollet, S., Valentin, D. & Abdi, H., Free sorting task, in Novel Techniques in Sensory Characterization and Consumer Profiling: 207–228 (CRC Press (2014).
Chollet, S., Lelièvre, M., Abdi, H. & Valentin, D. Sort and beer: Everything you wanted to know about the sorting task but did not dare to ask. Food Qual. and Pref. 22, 507–520 (2011). (PMID: 10.1016/j.foodqual.2011.02.004)
De Juan, A., V den Bogaert, B., Sánchez, F. C. & Massart, D. Application of the needle algorithm for exploratory analysis and resolution of HPLC-DAD data. Chemometr. Intell. Lab. 33, 133–145 (1996). (PMID: 10.1016/0169-7439(96)00009-3)
The Mathworks Incorporated, (Matlab Software 2009).
C. R. Johnson Matrices whose hermitian part is positive definite (California Institute of Technology (1972).
Cuadras, C. M. & Oller, J.-M. Eigenanalysis and metric multidimensional scaling on hierarchical structures. Qüestiió. 11, 37–57 (1987).
Elmore, K. L. & Richman, M. B. Euclidean distance as a similarity metric for principal component analysis. Mon. Weather Rev. 129, 540–549 (2001). (PMID: 10.1175/1520-0493(2001)129<0540:EDAASM>2.0.CO;2)
المشرفين على المادة: 0 (Volatile Organic Compounds)
تواريخ الأحداث: Date Created: 20200510 Date Completed: 20201201 Latest Revision: 20210508
رمز التحديث: 20221213
مُعرف محوري في PubMed: PMC7210946
DOI: 10.1038/s41598-020-64491-6
PMID: 32385293
قاعدة البيانات: MEDLINE
الوصف
تدمد:2045-2322
DOI:10.1038/s41598-020-64491-6