Publications by authors named "Pawel Rodziewicz"

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Adsorption of sulfur mustard on clean and water-saturated ZnO(101¯0): Structural diversity from first-principles calculations.
Tobias Klöffel, Mariana Kozlowska, Stanislaw Popiel, Bernd Meyer, Pawel Rodziewicz

J Hazard Mater· January 2021

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Conformational diversity of the THF molecule in N matrix by means of FTIR matrix isolation experiment and Car-Parrinello molecular dynamics simulations.
Joanna Stocka, Justinas Čeponkus, Valdas Šablinskas, Pawel Rodziewicz

Spectrochim Acta A Mol Biomol Spectrosc· September 2020

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Cannabinoid synthases and osmoprotective metabolites accumulate in the exudates of Cannabis sativa L. glandular trichomes.
Paweł Rodziewicz, Stefan Loroch, Łukasz Marczak, Albert Sickmann, Oliver Kayser

Plant Sci· July 2019

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Single-walled carbon nanotubes in tetrahydrofuran solution: microsolvation from first-principles calculations.
Mariana Kozlowska, Bernd Meyer, Pawel Rodziewicz

J Mol Model· June 2019

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Identification of drought responsive proteins and related proteomic QTLs in barley.
Paweł Rodziewicz, Klaudia Chmielewska, Aneta Sawikowska, Łukasz Marczak, Magdalena Łuczak

J Exp Bot· May 2019

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Phenotyping the genus Hypericum by secondary metabolite profiling: emodin vs. skyrin, two possible key intermediates in hypericin biosynthesis.
Katarína Kimáková, Andrea Kimáková, Jakub Idkowiak, Maciej Stobiecki, Paweł Rodziewicz

Anal Bioanal Chem· November 2018

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Therapy-Related Changes in the Serum Proteome Patterns of Early Stage Breast Cancer Patients with Different Outcomes.
Anna Walaszczyk, Monika Pietrowska, Anna Wojakowska, Agata Abramowicz, Aleksandra Chmura, Pawel Rodziewicz

Protein Pept Lett· March 2018

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Solvation of diclofenac in water from atomistic molecular dynamics simulations - interplay between solute-solute and solute-solvent interactions.
Mariana Kozlowska, Pawel Rodziewicz, Tillmann Utesch, Maria Andrea Mroginski, Anna Kaczmarek-Kedziera

Phys Chem Chem Phys· March 2018

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Analysis of Drought-Induced Proteomic and Metabolomic Changes in Barley (Hordeum vulgare L.) Leaves and Roots Unravels Some Aspects of Biochemical Mechanisms Involved in Drought Tolerance.
Klaudia Chmielewska, Paweł Rodziewicz, Barbara Swarcewicz, Aneta Sawikowska, Paweł Krajewski

Front Plant Sci· August 2016

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Degeneracy Lifting Effect in the FTIR Spectrum of Fluoroform Trapped in a Nitrogen Matrix. An Experimental and Car-Parrinello Molecular Dynamics Study.
Ruslan E Asfin, Sona M Melikova, Alexandra V Domanskaya, Paweł Rodziewicz, Konstantin S Rutkowski

J Phys Chem A· May 2016

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Structural flexibility of the sulfur mustard molecule at finite temperature from Car-Parrinello molecular dynamics simulations.
Joanna Lach, Jakub Goclon, Pawel Rodziewicz

J Hazard Mater· April 2016

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Intramolecular Hydrogen Bonds in Low-Molecular-Weight Polyethylene Glycol.
Mariana Kozlowska, Jakub Goclon, Pawel Rodziewicz

Chemphyschem· April 2016

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Structural, Vibrational and Electronic Properties of Defective Single-Walled Carbon Nanotubes Functionalised with Carboxyl Groups: Theoretical Studies.
Jakub Goclon, Mariana Kozlowska, Pawel Rodziewicz

Chemphyschem· September 2015

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Identification of serum proteome signatures of locally advanced and metastatic gastric cancer: a pilot study.
Agata Abramowicz, Anna Wojakowska, Agnieszka Gdowicz-Klosok, Joanna Polanska, Pawel Rodziewicz

J Transl Med· September 2015

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A computational study of intramolecular hydrogen bonds breaking/formation: impact on the structural flexibility of the ranitidine molecule.
Mariana Kozlowska, Jakub Goclon, Pawel Rodziewicz

J Mol Model· April 2015

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Identification of serum proteome components associated with progression of non-small cell lung cancer.
Monika Pietrowska, Karol Jelonek, Malwina Michalak, Małgorzata Roś, Paweł Rodziewicz

Acta Biochim Pol· February 2015

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Structural flexibility of 4,4'-methylene diphenyl diisocyanate (4,4'-MDI): evidence from first principles calculations.
Pawel Rodziewicz, Jakub Goclon

J Mol Model· February 2014

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Interplay between molecule-molecule and molecule-substrate interactions: first-principles study of fluoroform aggregates on a hexagonal ice (0001) surface.
Pawel Rodziewicz, Bernd Meyer

Phys Chem Chem Phys· January 2014

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Tris(1,10-phenanthroline-κ(2) N,N')ruthenium(II) bis-(perchlorate).
Mariana Kozlowska, Pawel Rodziewicz, Diana Malgorzata Brus, Justyna Czyrko, Krzysztof Brzezinski

Acta Crystallogr Sect E Struct Rep Online· December 2012

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Bis(2,2':6',2''-terpyridine)-ruthenium(II) bis-(perchlorate) hemihydrate.
Mariana Kozlowska, Pawel Rodziewicz, Diana Malgorzata Brus, Joanna Breczko, Krzysztof Brzezinski

Acta Crystallogr Sect E Struct Rep Online· November 2012

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First-principles study of fluoroform adsorption on a hexagonal ice (0001) surface: weak hydrogen bonds-strong structural effects.
Pawel Rodziewicz, Konstanty S Rutkowski, Bernd Meyer

Phys Chem Chem Phys· August 2011

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Changes in the profile of flavonoid accumulation in Medicago truncatula leaves during infection with fungal pathogen Phoma medicaginis.
Michał Jasiński, Piotr Kachlicki, Paweł Rodziewicz, Marek Figlerowicz, Maciej Stobiecki

Plant Physiol Biochem· September 2009

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Formic acid dimerization: evidence for species diversity from first principles simulations.
Pawel Rodziewicz, Nikos L Doltsinis

J Phys Chem A· June 2009

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A domino annulation reaction under Willgerodt-Kindler conditions.
Daniel Kadzimirsz, Daniel Kramer, Lertnarong Sripanom, Iris M Oppel, Pawel Rodziewicz

J Org Chem· June 2008

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Formamide dimers: a computational and matrix isolation study.
Artur Mardyukov, Elsa Sanchez-Garcia, Pawel Rodziewicz, Nikos L Doltsinis, Wolfram Sander

J Phys Chem A· October 2007

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