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Scientific Articles - PTR-MS Bibliography

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Found 21 results
Title [ Year(Asc)]
Filters: Author is Lindinger, Werner  [Clear All Filters]
2003
[Yeretzian2003] Yeretzian, C., A. Jordan, and W. Lindinger, "Analysing the headspace of coffee by proton-transfer-reaction mass-spectrometry", International Journal of Mass Spectrometry, vol. 223: Elsevier, pp. 115–139, 2003.
Link: http://www.sciencedirect.com/science/article/pii/S1387380602007856
Abstract
An extensive analysis of the headspace (HS) of coffee brew using proton-transfer-reaction mass-spectrometry (PTR-MS) is presented. In particular, we present a set of methods that link mass spectral peaks, as observed in PTR-MS, to chemical compounds in the HS of coffee. Combining all this information, a tentative assignment and rough quantification of liquid coffee HS is presented. Coffee was chosen because it contains a large number of chemically diverse volatile organic compounds (VOCs), representing a challenging system for on-line analysis by PTR-MS.
[Mayr2003b] Mayr, D., T. Maerk, W. Lindinger, H. Brevard, and C. Yeretzian, "Breath-by-breath analysis of banana aroma by proton transfer reaction mass spectrometry", International Journal of Mass Spectrometry, vol. 223: Elsevier, pp. 743–756, 2003.
Link: http://www.sciencedirect.com/science/article/pii/S1387380602009673
Abstract
We report on the in vivo breath-by-breath analysis of volatiles released in the mouth during eating of ripe and unripe banana. The air exhaled through the nose, nosespace (NS), is directly introduced into a proton transfer reaction mass spectrometer and the time-intensity profiles of a series of volatiles are monitored on-line. These include isopentyl and isobutyl acetate, two characteristic odour compounds of ripe banana, and 2E-hexenal and hexanal, compounds typical of unripe banana. Comparing the NS with the headspace (HS) profile, two differences are outlined. First, NS concentrations of some compounds are increased, compared to the HS, while others are decreased. This indicates that the in-mouth situation has characteristics of its own—mastication, mixing/dilution with saliva, temperature and pH—which modify the aroma relative to an HS aroma. Second, we discuss the temporal evolution of the NS. While 2E-hexenal and hexanal steadily increase in the NS during mastication of unripe banana, no such evolution is observed in volatile organic compounds (VOCs) while eating ripe banana. Furthermore, ripe banana shows high VOC concentrations in the swallow breath in contrast to unripe banana.
[Karl2003] Karl, T., C. Yeretzian, A. Jordan, and W. Lindinger, "Dynamic measurements of partition coefficients using proton-transfer-reaction mass spectrometry (PTR–MS)", International Journal of Mass Spectrometry, vol. 223: Elsevier, pp. 383–395, 2003.
Link: http://www.sciencedirect.com/science/article/pii/S1387380602009272
Abstract
Liquid–gas partition coefficients (HLC) of volatile organic compounds (VOCs) in water–air systems are determined using a novel dynamic approach by coupling a stripping cell directly to a proton-transfer-reaction mass spectrometer (PTR–MS). Two complementary set-ups are evaluated, one suited for determining HLCs of highly volatile compounds (<10 M/atm), the second adapted for medium to low volatile compounds (∼10–1000 M/atm). We validated the method using 2-butanone, investigated the temperature dependence of various HLCs and applied the stripping technique to a series of VOCs. Compared to alternative state-of-the-art techniques the present approach has the advantage of being simple, fast and less prone to artefacts. Furthermore, it allows to quantify volatile compounds in the headspace without calibration or addition of standards.
[Pollien2003b] Pollien, P., A. Jordan, W. Lindinger, and C. Yeretzian, "Liquid–air partitioning of volatile compounds in coffee: dynamic measurements using proton-transfer-reaction mass spectrometry", International Journal of Mass Spectrometry, vol. 228, no. 1: Elsevier, pp. 69–80, 2003.
Link: http://www.sciencedirect.com/science/article/pii/S1387380603001970
Abstract
Recently we introduced a dynamic approach to determine Henry’s law constants (HLCs) of volatile organic compounds (VOCs) in water, and applied it to a series organic compounds dissolved in pure water. Here, we first discuss a further development of the original approach such that it can be applied to complex liquid food systems (coffee). Second, we examine the impact of non-volatile constituents on the HLC. More specifically, we evaluate the impact of non-volatile coffee constituents on the HLC of 2-methylpropanal, 3- and 2-methylbutanal, dimethylsulfide, dimethyldisulfide and ethyl-2-methylbutyrate. Finally, we demonstrate that the concentration on the VOC in solution does not affect the HLC, over the investigated concentration range of 10−4 to 10 ppm.
[Alexander2003] Alexander, M., E. Boscaini, W. Lindinger, and T. D. Märk, "Membrane introduction proton-transfer reaction mass spectrometry", International Journal of Mass Spectrometry, vol. 223: Elsevier, pp. 763–770, 2003.
Link: http://www.sciencedirect.com/science/article/pii/S1387380602009648
Abstract
The combination of membrane introduction mass spectrometry (MIMS) and proton-transfer reaction mass spectrometry (PTR-MS) is explored. The PTR-MS is used to measure properties of a well-characterized membrane material, poly-dimethylsiloxane (PDMS). It is found that the ability of the PTR-MS to measure absolute concentrations in real-time makes it an ideal tool for the characterization of membrane properties and the interaction of the membrane with multiple organic species. Values for the diffusion coefficients of several molecules are measured and found to be in agreement with literature values. Time modulation of the analyte across the membrane is explored as a method of resolving isobaric interferences for different chemical species. This is demonstrated for acetone and propanal. Finally, the benefit of combining MIMS with PTR-MS is demonstrated by the direct analysis of organic species in the headspace of a hot water solution where the high humidity would not allow analysis using the PTR-MS alone.
[Karl2003b] Karl, T., A. Hansel, T. Märk, W. Lindinger, and D. Hoffmann, "Trace gas monitoring at the Mauna Loa Baseline observatory using proton-transfer reaction mass spectrometry", International Journal of Mass Spectrometry, vol. 223: Elsevier, pp. 527–538, 2003.
Link: http://www.sciencedirect.com/science/article/pii/S1387380602008746
Abstract
Real time monitoring of volatile organic compounds (VOCs) using a Proton-Transfer Reaction Mass Spectrometer was performed at the Mauna Loa Baseline Station (19.54N, 155.58W) in March/April 2001 (March 23, 2001–April 17, 2001). Mixing ratios for methanol, acetone, acetonitrile, isoprene and methyl vinyl ketone (MVK) plus methacrolein (MACR) ranged between 0.2 and 1.8, 0.2 and 1, 0.07 and 0.2, <0.02 and 0.3, and <0.02 and 0.5 ppbv, respectively. Biomass burning plumes transported from South-East Asia and the Indian Subcontinent across the Pacific influenced part of the measurement campaign. ΔAcetonitrile/ΔCO and Δacetone/Δacetonitrile ratios in these cases were 1.5×10−3 to 2.5×10−3 and 2–5 ppbv/ppbv, respectively. Overall Asian outflow events were not as frequent during Spring 2001 as in previous years. Methanol did not show significant correlation with CO, acetonitrile, and acetone. The abundance of acetone and CO seemed to be influenced but not dominated by biomass burning and domestic biofuel emissions.
[Karl2003a] Karl, T., T. Jobson, W. C. Kuster, E. Williams, J. Stutz, R. Shetter, S. R. Hall, P. Goldan, F. Fehsenfeld, and W. Lindinger, "Use of proton-transfer-reaction mass spectrometry to characterize volatile organic compound sources at the La Porte super site during the Texas Air Quality Study 2000", Journal of geophysical research, vol. 108, no. D16: American Geophysical Union, pp. 4508, 2003.
Link: http://www.agu.org/pubs/crossref/2003/2002JD003333.shtml
Abstract
Proton-transfer-reaction mass spectrometry (PTR-MS) was deployed for continuous real-time monitoring of volatile organic compounds (VOCs) at a site near the Houston Ship Channel during the Texas Air Quality Study 2000. Overall, 28 ions dominated the PTR-MS mass spectra and were assigned as anthropogenic aromatics (e.g., benzene, toluene, xylenes) and hydrocarbons (propene, isoprene), oxygenated compounds (e.g., formaldehyde, acetaldehyde, acetone, methanol, C7 carbonyls), and three nitrogen-containing compounds (e.g., HCN, acetonitrile and acrylonitrile). Biogenic VOCs were minor components at this site. Propene was the most abundant lightweight hydrocarbon detected by this technique with concentrations up to 100+ nmol mol−1, and was highly correlated with its oxidation products, formaldehyde (up to ∼40 nmol mol−1) and acetaldehyde (up to ∼80 nmol/mol), with typical ratios close to 1 in propene-dominated plumes. In the case of aromatic species the high time resolution of the obtained data set helped in identifying different anthropogenic sources (e.g., industrial from urban emissions) and testing current emission inventories. A comparison with results from complimentary techniques (gas chromatography, differential optical absorption spectroscopy) was used to assess the selectivity of this on-line technique in a complex urban and industrial VOC matrix and give an interpretation of mass scans obtained by “soft” chemical ionization using proton-transfer via H3O+. The method was especially valuable in monitoring rapidly changing VOC plumes which passed over the site, and when coupled with meteorological data it was possible to identify likely sources.
2002
[Yeretzian2002] Yeretzian, C., A. Jordan, R. Badoud, and W. Lindinger, "From the green bean to the cup of coffee: investigating coffee roasting by on-line monitoring of volatiles", European Food Research and Technology, vol. 214, no. 2: Springer, pp. 92–104, 2002.
Link: http://www.springerlink.com/index/1t5671mp5tu83meu.pdf
Abstract
A proton-transfer-reaction mass spectrometer (PTR-MS) was used for fast-response measurements of volatile organic compounds (VOCs) onboard the NOAA research vessel Ronald H. Brown during leg 2 (4 March–23 March) of the INDOEX 1999 cruise. In this paper, we present a first overview of the distribution of acetonitrile, methanol, acetone, and acetaldehyde over a broad spatial extent of the Indian Ocean (19°N–13°S, 67°E–75°E). The prevailing atmospheric circulation during the winter monsoon transported polluted air from India and the Middle East over the Indian Ocean to meet pristine southern hemispheric air at the intertropical convergence zone (ITCZ). The chemical composition of air parcels changed according to their geographic origin, which was traced by backtrajectory analysis. The relative abundance of acetonitrile, a selective tracer for biomass burning, to that of carbon monoxide, a general tracer for incomplete combustion, reflected the signature of biomass burning or fossil fuel combustion. This indicated a strong biomass burning impact in W-India, mixed pollution sources in NE-India, and the dominance of fossil fuel combustion in the Middle East. Biomass burning impacted air was rich in methanol (0.70–1.60 ppbv), while acetone (0.80–2.40 ppbv) and acetaldehyde (0.25–0.50 ppbv) were elevated in all continental air masses. Pollution levels decreased toward the ITCZ resulting in minima for methanol, acetone, and acetaldehyde of 0.50, 0.45, and 0.12 ppbv, respectively. The observed abundances suggest that there are unidentified sources of acetone and acetaldehyde in biomass burning impacted air masses and in remote marine air.
2001
[Holzinger2001a] Holzinger, R., A. Jordan, A. Hansel, and W. Lindinger, "Automobile emissions of acetonitrile: Assessment of its contribution to the global source", Journal of atmospheric chemistry, vol. 38, no. 2: Springer, pp. 187–193, 2001.
Link: http://www.springerlink.com/index/g3rn0j32865r9220.pdf
[Karl2001a] Karl, T., A. Guenther, A. Jordan, R. Fall, and W. Lindinger, "Eddy covariance measurement of biogenic oxygenated VOC emissions from hay harvesting", Atmospheric Environment, vol. 35, no. 3: Elsevier, pp. 491–495, 2001.
Link: http://www.sciencedirect.com/science/article/pii/S1352231000004052
Abstract
Biogenic oxygenated volatile organic compound (VOC) fluxes have been directly measured by eddy covariance using the combination of a fast response, real-time \{VOC\} sensor and an acoustic anemometer. \{VOC\} detection is based on proton-transfer reaction mass spectrometry which has currently a response time of ca. 0.8&#xa0;s and the system is suitable for making nearly unattended, long-term and continuous measurements of \{VOC\} fluxes. The eddy covariance system has a detection limit, for most VOCs, of less than 0.1&#xa0;mg&#xa0;m−2&#xa0;h−1. The system was field tested above a hayfield near St. Johann, Austria where cut and drying grasses released a variety of VOCs. High fluxes were observed for about 2 days after cutting and were dominated by methanol (1–8.4&#xa0;mg&#xa0;m−2&#xa0;h−1), acetaldehyde (0.5–3&#xa0;mg&#xa0;m−2&#xa0;h−1), hexenals (0.1–1.5&#xa0;mg&#xa0;m−2&#xa0;h−1) and acetone (0.1–1.5&#xa0;mg&#xa0;m−2&#xa0;h−1). The eddy covariance measurements generally agreed with flux estimates based on enclosure measurements and surface layer gradients. The sensitivity and selectivity of the system make it suitable for quantifying the fluxes of the dominant biogenic \{VOCs\} from a variety of landscapes and sources.
[Lindinger2001] Lindinger, W., R. Fall, and T. Karl, "Environmental, food and medical applications of proton-transfer-reaction mass spectrometry (PTR-MS)", , vol. 4: Elsevier: Amsterdam, The Netherlands, pp. 1-48, 2001.
Link: http://acd.ucar.edu/ tomkarl/ptrmschap.pdf
Abstract
The development of proton-transfer-reaction mass spectrometry (PTR-MS) as a tool for the analysis of volatile organic compounds (VOCs) is described. PTR-MS is based on the rapid, non-dissociative transfer of protons from H3Oþ to most common VOCs, but not to the principal gases in the air sample. Recent developments in the design of PTR-MS instruments allow detection of some VOCs in the parts per trillion by volume range. This sensitivity and the capability of PTR-MS instruments to be operated for extended periods in both laboratory and field settings has allowed exploration of many aspects of VOC analysis in environmental, food and medical applications.
[Karl2001] Karl, T., P. Prazeller, D. Mayr, A. Jordan, J. Rieder, R. Fall, and W. Lindinger, "Human breath isoprene and its relation to blood cholesterol levels: new measurements and modeling", Journal of Applied Physiology, vol. 91, no. 2, pp. 762-770, 2001.
Link: http://jap.physiology.org/content/91/2/762.abstract
Abstract
Numerous publications have described measurements of breath isoprene in humans, and there has been a hope that breath isoprene analyses could be a noninvasive diagnostic tool to assess blood cholesterol levels or cholesterol synthesis rate. However, significant analytic problems in breath isoprene analysis and variability in isoprene levels with age, exercise, diet, etc., have limited the usefulness of these measurements. Here, we have applied proton transfer reaction-mass spectrometry to this problem, allowing on-line detection of breath isoprene. We show that breath isoprene concentration increases within a few seconds after exercise is started as a result of a rapid increase in heart rate and then reaches a lower steady state when breath rate stabilizes. Additional experiments demonstrated that increases in heart rate associated with standing after reclining or sleeping are associated with increased breath isoprene concentrations. An isoprene gas-exchange model was developed and shows excellent fit to breath isoprene levels measured during exercise. In a preliminary experiment, we demonstrated that atorvastatin therapy leads to a decrease in serum cholesterol and low-density-lipoprotein levels and a parallel decrease in breath isoprene levels. This work suggests that there is constant endogenous production of isoprene during the day and night and reaffirms the possibility that breath isoprene can be a noninvasive marker of cholesterologenesis if care is taken to measure breath isoprene under standard conditions at constant heart rate.
[Holzinger2001] Holzinger, R., A. Jordan, A. Hansel, and W. Lindinger, "Methanol measurements in the lower troposphere near Innsbruck (047° 16 N; 011° 24 E), Austria", Atmospheric Environment, vol. 35, no. 14: Elsevier, pp. 2525–2532, 2001.
Link: http://www.sciencedirect.com/science/article/pii/S1352231000004301
[Gasperi2001] Gasperi, F., G. Gallerani, A. Boschetti, F. Biasioli, A. Monetti, E. Boscaini, A. Jordan, W. Lindinger, and S. Iannotta, "The mozzarella cheese flavour profile: a comparison between judge panel analysis and proton transfer reaction mass spectrometry", Journal of the Science of Food and Agriculture, vol. 81, no. 3: Wiley Online Library, pp. 357–363, 2001.
Link: http://onlinelibrary.wiley.com/doi/10.1002/1097-0010(200102)81:3%3C357::AID-JSFA818%3E3.0.CO;2-O/full
[Karl2001b] Karl, T., P. J. Crutzen, M. Mandl, M. Staudinger, A. Guenther, A. Jordan, R. Fall, and W. Lindinger, "Variability-lifetime relationship of VOCs observed at the Sonnblick Observatory 1999�Estimation of HO-densities", Atmospheric Environment, vol. 35, no. 31: Elsevier, pp. 5287–5300, 2001.
Link: http://www.sciencedirect.com/science/article/pii/S1352231001003417
Abstract
An extensive dataset of VOC measurements was collected at the Sonnblick Observatory, Austria (3106 m) in Fall/Winter 1999/2000, showing high mixing ratios of anthropogenic and biogenic VOCs at this high altitude site due to upward mixing of air masses (Geophys. Res. Lett. 2F (2001) 507). Here we give an interpretation of proton-transfer-reaction (PTR-MS) mass scans obtained in November 1999 based on fragmentation data, GC-PTR-MS analysis and the variability-lifetime relationship, described by the power law, σ(ln(x))=Aτ−b. The variability-lifetime plot of anthropogenic VOCs gave a proportionality factor A of 1.40 and a,b exponent (sink term) of 0.44 and allowed an estimate of average HO-densities on the order of (1.5±0.4)×105 molecules cm−3. Additionally we were able to indirectly determine a diurnal HO-profile with peak values of (1.3±0.5)×106 molecules cm−3 around midday. HO-reaction rate coefficients for higher aldehydes (heptanal to nonanal) were estimated due to photochemical losses during a stagnant air episode (27 November) and from the variability-lifetime relationship. Combining long term PTR-MS analysis of VOCs and the variability-lifetime method provides a valuable tool for assessing the dominant cause of the variability in VOC concentrations. This information is essential in understanding the sources and photochemical processing of VOCs detected in ambient air at field measurement sites.
1999
[Warneke1999] Warneke, C., T. Karl, H. Judmaier, A. Hansel, A. Jordan, W. Lindinger, and P. J. Crutzen, "Acetone, methanol, and other partially oxidized volatile organic emissions from dead plant matter by abiological processes: Significance for atmospheric HOx chemistry", Global Biogeochem. Cycles, vol. 13, no. 1, pp. 9–17, 1999.
Link: http://onlinelibrary.wiley.com/doi/10.1029/98GB02428/full
[Prazeller1999] Prazeller, P., K. Thomas, A. Jordan Arm Hansel, and W. Lindinger, "Acetonitril als Biomarker zur Quantifizierung des Passivrauchens", Ber. nat-med. Verein Innsbruck, vol. 86: Ber. nat-.med. Verein Innsbruck, pp. 13-19, 1999.
Link: http://www.landesmuseum.at/pdf_frei_remote/BERI_86_0013-0019.pdf
[Holzinger1999] Holzinger, R., C. Warneke, A. Hansel, A. Jordan, W. Lindinger, D. H. Scharffe, G. Schade, and P. J. Crutzen, "Biomass burning as a source of formaldehyde, acetaldehyde, methanol, acetone, acetonitrile, and hydrogen cyanide", Geophysical Research Letters, vol. 26, no. 8: Wiley Online Library, pp. 1161–1164, 1999.
Link: http://onlinelibrary.wiley.com/doi/10.1029/1999GL900156/full
[Fall1999] Fall, R., T. Karl, A. Hansel, A. Jordan, and W. Lindinger, "Volatile organic compounds emitted after leaf wounding: on-line analysis by proton-transfer-reaction mass spectrometry", Journal of Geophysical Research, vol. 104, no. D13: American Geophysical Union, pp. 15963–15, 1999.
Link: http://www.agu.org/pubs/crossref/1999/1999JD900144.shtml
Abstract
Volatile organic compounds (VOCs) released from vegetation, including wound-induced VOCs, can have important effects on atmospheric chemistry. The analytical methods for measuring wound-induced VOCs, especially the hexenal family of VOCs (hexenals, hexenols, and hexenyl esters), are complicated by their chemical instability and the transient nature of their formation after leaf and stem wounding. Here we demonstrate that formation and emission of hexenal family compounds can be monitored on-line using proton-transfer-reaction mass spectrometry (PTR-MS), avoiding the need for preconcentration or chromatography. These measurements allow direct analysis of the rapid emission of the parent compound, (Z)-3-hexenal, within 1–2 s of wounding of aspen leaves and then its disappearance and the appearance of its metabolites including (E)-2-hexenal, hexenols, and hexenyl acetates. Similar results were seen in wounded beech leaves and clover. The emission of hexenal family compounds was proportional to the extent of wounding, was not dependent on light, occurred in attached or detached leaves, and was greatly enhanced as detached leaves dried out. Emission of (Z)-3-hexenal from detached drying aspen leaves averaged 500 μg C g−1 (dry leaf weight). Leaf wound compounds were not emitted in a nitrogen atmosphere but were released within seconds of reintroduction of oxygen; this indicates that there are not large pools of hexenyl compounds in leaves. The PTR-MS method also allows the simultaneous detection of less abundant hexanal family VOCs including hexanal, hexanol, and hexyl acetate and VOCs formed in the light (isoprene) or during anoxia (acetaldehyde). PTR-MS may be a useful tool for the analysis of VOC emissions resulting from grazing, herbivory, and other physical damage to vegetation, from harvesting of crops, and from senescing leaves.
1997
[Jordan1997] Jordan, A., A. Hansel, C. WARNECKE, R. Holzinger, P. Prazeller, W. Vogel, and W. Lindinger, ""On-line" Spurengasanalyse im ppt-Bereich und ihre Anwendungen auf Gebieten der Medizin, Lebensmittelforschung und Luftqualität", , no. 84: Ber. nat-.med. Verein Innsbruck, pp. 7-17, 1997.
Link: http://www.landesmuseum.at/pdf_frei_remote/BERI_84_0007-0017.pdf
1996
[Taucher1996] Taucher, J., A. Hansel, A. Jordan, and W. Lindinger, "Analysis of compounds in human breath after ingestion of garlic using proton-transfer-reaction mass spectrometry", Journal of agricultural and food chemistry, vol. 44, no. 12: ACS Publications, pp. 3778–3782, 1996.
Link: http://pubs.acs.org/doi/abs/10.1021/jf960640e
Abstract
After ingestion of raw garlic, the components allyl methyl sulfide (1), allyl methyl disulfide (2), diallyl sulfide (3), diallyl disulfide (4), diallyl trisulfide (7), dimethyl sulfide (8), and acetone (9) in the breath of a test person were analyzed over a time period of about 30 h by means of proton-transfer-reaction mass spectrometry. While the concentrations of 2−7 reached maxima shortly after ingestion of garlic and declined to baseline values within the next 2−3 h, concentrations of 1, 8, and 9 increased much more slowly and showed enhanced values even 30 h after garlic consumption. The strong increase of the concentration of acetone might be indicative of enhanced metabolism of serum cholesterol, triglycerides, and total lipids in the blood stream.

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Selected PTR-MS related Reviews

F. Biasioli, C. Yeretzian, F. Gasperi, T. D. Märk: PTR-MS monitoring of VOCs and BVOCs in food science and technology, Trends in Analytical Chemistry 30 (7) (2011).
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J. de Gouw, C. Warneke, T. Karl, G. Eerdekens, C. van der Veen, R. Fall: Measurement of Volatile Organic Compounds in the Earth's Atmosphere using Proton-Transfer-Reaction Mass Spectrometry. Mass Spectrometry Reviews, 26 (2007), 223-257.
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W. Lindinger, A. Hansel, A. Jordan: Proton-transfer-reaction mass spectrometry (PTR–MS): on-line monitoring of volatile organic compounds at pptv levels, Chem. Soc. Rev. 27 (1998), 347-375.
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Lists with PTR-MS relevant publications of the University of Innsbruck can be found here: Atmospheric and indoor air chemistry, IMR, Environmental Physics and Nano-Bio-Physics

 

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