Kurt VARMUZA

 

Laboratory for Chemometrics, Vienna University of Technology, Austria

 

Selected Papers 2015 -

 

2024-11-20

 

2024

 

Varmuza K., Filzmoser P.:

J. Chemometrics, 38, e3588, 1-10 (2024).  <Paper 202>

https://doi.org/10.1002/cem.3588 [open access].

Abstract.  PDF.

Adjusted Pareto scaling for multivariate calibration models.

 

2023

 

Hornung K., Mellado E.M., Stenzel O.J., Langevin Y., Merouane S., Fray N., Fischer H., Paquette J., Baklouti D., Bardyn A., Engrand C.,

Cottin H., Thirkell L.,Briois C., Rynö J., Silén J., Schulz R., Siljeström S., Lehto H., Varmuza K., Koch A., Kissel J., Hilchenbach M.:

Planetary and Space Science, 236 (2023) 105747  <Paper 201>

DOI: https://doi.org/10.1016/j.pss.2023.105747    Abstract.

On structural properties of cometary dust particles derived from line shapes of TOF-SIMS spectra measured by the ROSETTA/COSIMA instrument.

 

2021

 

Varmuza K., Dehmer M., Emmert-Streib F., Filzmoser P.:

Croat. Chem. Acta, 94, 47-58 (2021).  <Paper 200>

https://hrcak.srce.hr/en/file/391546 [open access]; DOI: 10.5562/cca3807

Abstract.

Automorphism groups of alkane graphs.

 

2020

 

Dehmer M., Emmert-Streib F., Mowshowitz A., Ilić A., Chen Z., Yu G., Feng L., Ghorbani M., Varmuza K., Tao J.:

Applied Mathematics and Computation, 380, 125239, 1-14 (2020).   <Paper 199>

https://doi.org/10.1016/j.amc.2020.125239    Abstract.

Relations and bounds for the zeros of graph polynomials using vertex orbits.

 

Dehmer M., Chen Z., Emmert-Streib F., Mowshowitz A., Varmuza K., Feng L., Jodlbauer H., Shi Y., Tao J.:

IEEE Access, 8, 36100-36112 (2020).  <Paper 198>

PDF (open access). Abstract.

The orbit-polynomial: A novel measure of symmetry in networks.

 

Hornung K., Mellado E.M., Paquette J., Fray N., Fischer H., Stenzel O., Baklouti D., Merouane S., Langevin Y., Bardyn A., Engrand C., Cottin H., Thirkell L., Briois C., Modica P., Rynö J., Silen J., Schulz R., Siljeström S., Lehto H., Varmuza K., Koch A., Kissel J., Hilchenbach M.:

Planetary and Space Science, 182, 104758, 1-12 (2020).  <Paper 197>

DOI: https://doi.org/10.1016/j.pss.2019.104758  Abstract.

Electrical properties of cometary dust particles derived from line shapes of TOF-SIMS spectra measured by the ROSETTA/COSIMA instrument.

 

Varmuza K., Filzmoser P., Fray N., Cottin H., Merouane S., Stenzel O., Paquette J., Kissel J., Briois C., Baklouti D., Bardyn A., Siljeström S., Silen J., Hilchenbach M.:

J. Chemometrics, 2020, e3218, 1-8 (2020). <Paper 196>

PDF (open access). DOI: https://doi.org/10.1002/cem.3218   Abstract.

Composition of cometary particles collected during two periods of the Rosetta mission - multivariate evaluation of mass spectral data.

 

2019

 

Varmuza K.:

J. Computer Aided Chemistry (Chemical Society of Japan), 20, 29-31 (2019)  <Paper 195>

PDF (open access): https://www.jstage.jst.go.jp/article/jcac/20/0/20_29/_pdf/-char/en

DOI: https://doi.org/10.2751/jcac.20.29

Similarity, diversity - chemoinformatics.

 

Isnard R., Bardyn A., Fray N., Briois C., Cottin H., Paquette J., Stenzel O., Alexander C., Baklouti D., Engrand C., Orthous-Daunay F.R., Siljeström S., Varmuza K., Hilchenbach M:

Astronomy & Astrophysics (A&A), 630, A27, 1-10 (2019)  <Paper 193>

Open access: https://doi.org/10.1051/0004-6361/201834797

H/C elemental ratio of the refractory organic matter in cometary particles of 67P/Churyumov-Gerasimenko.

Abstract.

 

2018

 

Beisl S., Binder M., Varmuza K., Miltner A., Friedl A.:

Chem. Engineering, 2018, 2, 45 (2018). doi:10.3390/chemengineering2040045.  <Paper 192>

Open access: http://www.mdpi.com/2305-7084/2/4/45/pdf

Supplementary material: http://www.mdpi.com/2305-7084/2/4/45/s1

UV-Vis spectroscopy and chemometrics for the monitoring of organosolv pretreatments.

Abstract.

 

Varmuza K.:

In Engel T., Gasteiger J. (eds), Chemoinformatics - Basic Concepts and Methods,

Wiley-VCH, Weinheim, Germany (2018) p. 399-437. ISBN: 978-3-527-33109-3.  <Paper 191>

Data Analysis and Data Handling (QSPR/QSAR) - Methods for Multivariate Data Analysis.

Aims | Contents. [ Wiley-VCH ]

 

Edita Rados, Ernst Pittenauer, Johannes Frank, Kurt Varmuza, Günter Allmaier:

Rapid Commun. Mass Spectrom., 32, 649-656 (2018)  <Paper 188>

Open access: https://doi.org/10.1002/rcm.8075

A laser desorption ionization/matrix‐assisted laser desorption ionization target system applicable for three distinct types of instruments (LinTOF/curved field RTOF, LinTOF/RTOF and QqRTOF) with different performance characteristics from three vendors.

Abstract.

 

Kurt Varmuza, Peter Filzmoser, Irene Hoffmann, Jan Walach, Hervé Cottin, Nicolas Fray, Christelle Briois, Paola Modica, Anaďs Bardyn, Johan Silén, Sandra Siljeström, Oliver Stenzel, Jochen Kissel, Martin Hilchenbach:

J. Chemometrics, 32, e3001, 1-13 (2018).  <Paper 187>

Open access: https://onlinelibrary.wiley.com/doi/epdf/10.1002/cem.3001

Significance of variables for discrimination: Applied to the search of organic ions in mass spectra measured on cometary particles.

Abstract.

 

2017

 

Oliver J. Stenzel, Martin Hilchenbach, Sihane Merouane, John Paquette, Kurt Varmuza, Cécile Engrand, Franz Brandstätter, Christian Koeberl, Ludovic Ferričre, Peter Filzmoser, Sandra Siljeström:

MNRAS (Monthly Notices of the Royal Astronomical Society), 469, Suppl_2, S492-S505 (2017) <Paper 186>

https://doi.org/10.1093/mnras/stx1908

Similarities in element content between comet 67P/Churyumov-Gerasimenko coma dust and selected meteorite samples.

Abstract.

 

Anaďs Bardyn, Donia Baklouti, Hervé Cottin, Nicolas Fray, Christelle Briois, John Paquette, Oliver Stenzel, Cécile Engrand, Henning Fischer, Klaus Hornung, Robin Isnard, Yves Langevin, Harry Lehto, Léna Le Roy, Nicolas Ligier, Sihane Merouane, Paola Modica, François-Régis Orthous-Daunay, Jouni Rynö, Rita Schulz, Johan Silén, Laurent Thirkell, Kurt Varmuza, Boris Zaprudin, Jochen Kissel, Martin Hilchenbach:

MNRAS (Monthly Notices of the Royal Astronomical Society), 469, Suppl_2, S712-S722 (2017) <Paper 185>

https://doi.org/10.1093/mnras/stx2640

Carbon-rich dust in comet 67P/Churyumov-Gerasimenko measured by COSIMA/Rosetta.

Abstract.

 

Nicolas Fray, Anais Bardyn, Hervé Cottin, Donia Baklouti, Christelle Briois, Cécile Engrand, Henning Fischer, Klaus Hornung, Robin Isnard, Yves Langevin, Harry Lehto, Lena Le Roy, Eva Maria Mellado, Sihane Merouane, Paola Modica, Francois Régis Orthous-Daunay, John Paquette, Jouni Rynö, Rita Schulz, Johan Silén, Sandra Siljeström, Oliver Stenzel, Laurent Thirkell, Kurt Varmuza, Boris Zaprudin, Jochen Kissel, Martin Hilchenbach:

MNRAS (Monthly Notices of the Royal Astronomical Society), 469, S506-S516 (2017) <Paper 184>

https://doi.org/10.1093/mnras/stx2002

Nitrogen-to-carbon atomic ratio measured by COSIMA in the particles of comet 67P/Churyumov–Gerasimenko.

Abstract.

 

Martin Hilchenbach, Henning Fischer, Yves Langevin, Sihane Merouane, John Paquette, Jouni Rynö, Oliver Stenzel, Christelle Briois, Jochen Kissel, Andreas Koch, Rita Schulz, Johan Silén, Nicolas Altobelli, Donia Baklouti, Anais Bardyn, Hervé Cottin, Cécile Engrand, Nicolas Fray, Gerhard Haerendel, Hartmut Henkel, Herwig Höfner, Klaus Hornung, Harry Lehto, Eva Maria Mellado, Paola Modica, Lena Le Roy, Sandra Siljeström, Wolfgang Steiger, Laurent Thirkell, Roger Thomas, Klaus Torkar, Kurt Varmuza, Boris Zaprudin:

Phil. Trans. R. Soc. A, 375: 20160255, 1-16 (2017) <Paper 183>

http://dx.doi.org/10.1098/rsta.2016.0255

Mechanical and electrostatic experiments with dust particles collected in the inner coma of comet 67P by COSIMA onboard Rosetta.

Abstract.

 

2016

 

Nicolas Fray, Anaďs Bardyn, Hervé Cottin, Kathrin Altwegg, Donia Baklouti, Christelle Briois, Luigi Colangeli, Cécile Engrand, Henning Fischer, Albrecht Glasmachers, Eberhard Grün, Gerhard Haerendel, Hartmut Henkel, Herwig Höfner, Klaus Hornung, Elmar K. Jessberger, Andreas Koch, Harald Krüger, Yves Langevin, Harry Lehto, Kirsi Lehto, Léna Le Roy, Sihane Merouane, Paola Modica, François-Régis Orthous-Daunay, John Paquette, François Raulin, Jouni Rynö, Rita Schulz, Johan Silén, Sandra Siljeström, Wolfgang Steiger, Oliver Stenzel, Thomas Stephan, Laurent Thirkell, Roger Thomas, Klaus Torkar, Kurt Varmuza, Karl-Peter Wanczek, Boris Zaprudin, Jochen Kissel, Martin Hilchenbach:

Nature 528, 72-74 (2016) <Paper 182>

doi:10.1038/nature19320

High-molecular-weight organic matter in the particles of comet 67P/Churyumov-Gerasimenko.

Abstract. [Nature-HTML] [Nature-PDF]

 

Hoffmann I., Filzmoser P., Serneels S., Varmuza K.:

J. Chemometrics, 30, 153-162 (2016) <Paper 181>

Sparse and robust PLS for binary classification.

Abstract. [ PDF ] DOI: 10.1002/cem.2775

 

M. Hilchenbach, J. Kissel, Y. Langevin, C. Briois, H. von Hoerner, A. Koch, R. Schulz, J. Silén, K. Altwegg, L. Colangeli, H. Cottin, C. Engrand, H. Fischer, A. Glasmachers, E. Grün, G. Haerendel, H. Henkel, H. Höfner, K. Hornung, E.K. Jessberger, H. Lehto, K. Lehto, F. Raulin, L. Le Roy, J. Rynö, W. Steiger, T. Stephan, L. Thirkell, R. Thomas, K. Torkar, K. Varmuza, K.P. Wanczek, N. Altobelli, D. Baklouti, A. Bardyn, N. Fray, H. Krüger, N. Ligier, Z. Lin, P. Martin, S. Merouane, F.R. Orthous-Daunay, J. Paquette, C. Revillet, S. Siljeström, O. Stenzel, B. Zaprudin:

The Astrophysical Journal Letters, 816:L32 (2016)  <Paper 180>

DOI:10.3847/2041-8205/816/2/L32

Comet 67P/Churyumov–Gerasimenko: Close-up on dust particle fragments.

Abstract. [ PDF ]

 

Almkvist G., Norbakhsh S., Bjurhager I., Varmuza K.:

Holzforschung, 70, 855-865 (2016).  <Paper 190>

Prediction of tensile strength in iron-contaminated archaeological wood by FT-IR spectroscopy - a study of degradation in recent oak and Vasa oak.

Abstract. [ PDF ] DOI 10.1515/hf-2015-0223

 

2015

 

Griesser M., Weingart G., Schoedl-Hummel K., Neumann N., Becker M., Varmuza K., Liebner F., Schuhmacher R., Forneck A.:

Plant Physiology and Biochemistry, 88, 17-26 (2015)  <Paper 179>

dx.doi.org/10.1016/j.plaphy.2015.01.004

Severe drought stress is affecting selected primary metabolites, polyphenols, and volatile metabolites in grapevine leaves (Vitis vinifera cv. Pinot noir).

Abstract. [ PDF ]

 

Varmuza K., Filzmoser P.:

In Khanmohammadi M. (ed.), Current Applications of Chemometrics, Nova Science Publishers,

New York, USA (2015), p. 15 - 31.  <Paper 178>

Repeated double cross validation (rdCV) - a strategy for optimizing empirical multivariate models,

and for comparing their prediction performances.

Abstract. [ Nova Science ]

 

Silén, J., Cottin, H., Hilchenbach, M., Kissel, J., Lehto, H., Siljeström, S., Varmuza, K.:

Geosci. Instrum. Method. Data Syst., 4, 45-56 (2015)  <Paper 177>

COSIMA data analysis using multivariate techniques.

DOI:10.5194/gi-4-45-2015. Abstract. PDF.

 

Rita Schulz, Martin Hilchenbach, Yves Langevin, Jochen Kissel, Johan Silen, Christelle Briois, Cecile Engrand, Klaus Hornung, Donia Baklouti, Anaiıs Bardyn, Hervé Cottin, Henning Fischer, Nicolas Fray, Marie Godard, Harry Lehto, Léna Le Roy, Sihane Merouane, François-Régis Orthous-Daunay, John Paquette, Jouni Rynö, Sandra Siljeström, Oliver Stenzel, Laurent Thirkell, Kurt Varmuza, Boris Zaprudin:

Nature 518, 216-218 (2015)  <Paper 176>

Comet 67P/Churyumov-Gerasimenko sheds dust coat accumulated over the past four years.

Abstract. [Nature-HTML] [Nature-PDF] [ TU-News ]

 

Matthias Dehmer, Kurt Varmuza:

Applied Mathematics and Computation, 259, 242–250 (2015)  <Paper 189>

A comparative analysis of the Tanimoto index and graph edit distance for measuring the topological similarity of trees.

Abstract. PDF.  DOI.org/10.1016/j.amc.2015.02.042