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Benić, Anita; Kussayeva, Akmaral; Antol, Ivana; Vazdar, Mario; Brkljača, Zlatko; Chen, Dan‐Ye; Yan, Yi‐Jia; Gao, Ying‐Hua; Chen, Zhi‐Long; Margetić, Davor | Significant Tumor Inhibition of Trimethyl‐15^2‐[L‐aspartyl]pheophorbide a in Tumor Photodynamic Therapy // ChemMedChem, 20 (2025), 10; e202500087, 10. doi: 10.1002/cmdc.202500087
doichemistry-europe.onlinelibrary.wiley.com
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Kukulka, Mercedes; Pem, Barbara; Vazdar, Katarina; Cwiklik, Lukasz; Vazdar, Mario | UV absorption spectra of TAMRA and TAMRA labeled peptides: a combined density functional theory and classical molecular dynamics study // Journal of computational chemistry, 46 (2025), 8; e70096, 14. doi: 10.1002/jcc.70096
doionlinelibrary.wiley.comfulir.irb.hr
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Pem, Barbara; Vazdar, Mario; Bakarić, Danijela | Elucidation of the hydration pattern of trifluoroacetic acid in dilute solutions: FTIR and computational study // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 323 (2024), 124900, 7. doi: 10.1016/j.saa.2024.124900
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Pem, Barbara; Pišonić, Marina; Momčilov, Marina; Crnolatac, Ivo; Brkljača, Zlatko; Vazdar, Mario; Bakarić, Danijela | Protonation of palmitic acid embedded in DPPC lipid bilayers obscures detection of ripple phase by FTIR spectroscopy // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 322 (2024), 124773, 11. doi: 10.1016/j.saa.2024.124773
doi
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Kreiter, Jürgen; Brkljača, Zlatko; Bardakji, Sarah; Škulj, Sanja; Vazdar, Mario; Pohl, Elena | FA Sliding as the Mechanism for the ANT1-Mediated Fatty Acid Anion Transport in Lipid Bilayers // International journal of molecular sciences, 24 (2023), 18, 18. doi: https://doi.org/10.3390/ijms241813701
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Jovanović, Olga ; Chekashkina, Ksenia ; Škulj, Sanja ; Žuna, Kristina ; Vazdar, Mario ; Bashkirov Pavel V.; Pohl , Elena E. | Membrane Lipid Reshaping Underlies Oxidative Stress Sensing by the Mitochondrial Proteins UCP1 and ANT1 // Antioxidants, 11 (2022), 12; 2314, 17. doi: 10.3390/antiox11122314
doiwww.mdpi.comdoi.org
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Pem, Barbara; Brkljača, Zlatko; Philippe, Alan; Schaumann, Gabriele E.; Vazdar, Mario; Bakarić, Danijela | FTIR spectroscopy and molecular level insight of diluted aqueous solutions of acetic acid // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 302 (2023), 123135, 10. doi: 10.1016/j.saa.2023.123135
doiwww.sciencedirect.com
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Pašalić, Lea ; Pem, Barbara ; Domazet Jurašin, Darija ; Vazdar, Mario ; Bakarić, Danijela | Interaction of guanidinium and ammonium cations with phosphatidylcholine and phosphatidylserine lipid bilayers – Calorimetric, spectroscopic and molecular dynamics simulations study // Biochimica et biophysica acta. Biomembranes, 1865 (2023), 4; 184122, 12. doi: 10.1016/j.bbamem.2023.184122
doiwww.sciencedirect.com
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Polák, Jakub ; Morávek, Pavel ; Brkljača, Zlatko ; Vazdar, Mario ; Cibulka, Ivan ; Heyda, Jan | Computation and volumetric insight into (p,T) effect on aqueous guanidinium chloride // Journal of chemical thermodynamics, 158 (2021), 106450, 11. doi: 10.1016/j.jct.2021.106450
doiwww.sciencedirect.comdoi.org
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Žuna, Kristina ; Jovanović, Olga ; Khailova, Ljudmila S. ; Škulj, Sanja ; Brkljača, Zlatko ; Kreiter, Jürgen ; Kotova, Elena A. ; Vazdar, Mario ; Antonenko, Yuri N. ; Pohl, Elena E. | Mitochondrial Uncoupling Proteins (UCP1-UCP3) and Adenine Nucleotide Translocase (ANT1) Enhance the Protonophoric Action of 2,4-Dinitrophenol in Mitochondria and Planar Bilayer Membranes // Biomolecules, 11 (2021), 1178-1192. doi: 10.3390/biom11081178
doiwww.mdpi.comdoi.orgfulir.irb.hr
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Kreiter, Jürgen ; Rupprecht, Anne ; Škulj, Sanja ; Brkljača, Zlatko ; Žuna, Kristina ; Knyazev, Denis G. ; Bardakji, Sarah ; Vazdar, Mario ; Pohl, Elena E. | ANT1 Activation and Inhibition Patterns Support the Fatty Acid Cycling Mechanism for Proton Transport // International journal of molecular sciences, 22 (2021), 5; 2490, 14. doi: 10.3390/ijms22052490
doiwww.mdpi.comdoi.orgfulir.irb.hr
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Vazdar, Katarina ; Škulj, Sanja ; Bakarić, Danijela ; Margetić, Davor ; Vazdar, Mario | Chemistry and Reactivity of 4-hydroxy-2-nonenal (HNE) in Model Biological Systems // Mini-reviews in medicinal chemistry, 21 (2021), 12; 1394-1405. doi: 10.2174/1389557521666210105110538
doiwww.eurekaselect.com
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Škulj, Sanja ; Brkljača, Zlatko ; Kreiter, Jürgen ; Pohl, Elena E. ; Vazdar, Mario | Molecular dynamics simulations of mitochondrial uncoupling protein 2 // International journal of molecular sciences, 22 (2021), 3; 1214, 21. doi: 10.3390/ijms22031214
doiwww.mdpi.comfulir.irb.hr
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Brock, Dakota J. ; Kondow-McConaghy, Helena ; Allen, Jason ; Brkljača, Zlatko ; Kustigian, Lauren ; Jiang, Mengqiu ; Zhang, Junjie ; Rye, Hays ; Vazdar, Mario ; Pellois, Jean-Philippe | Mechanism of Cell Penetration by Permeabilization of Late Endosomes: Interplay between a Multivalent TAT Peptide and Bis(monoacylglycero)phosphate // Cell chemical biology, 27 (2020), 10; 1296-1307. doi: 10.1016/j.chembiol.2020.07.015
doiwww.sciencedirect.comdoi.org
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Mrnjavac, Natalia ; Vazdar, Mario ; Bertoša, Branimir | Relevant Interdomain and Active Site Interactions in the Autotransporter Esterase EstA from Pseudomonas aeruginosa // Molecular simulation, 46 (2020), 10; 743-756. doi: 10.1080/08927022.2020.1770750
doiwww.tandfonline.com
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Škulj, Sanja ; Brkljača, Zlatko ; Vazdar, Mario | Molecular Dynamics Simulations of the Elusive Matrix‐open State of Mitochondrial ADP/ATP Carrier // Israel journal of chemistry, 60 (2020), 7; 735-743. doi: 10.1002/ijch.202000011
doionlinelibrary.wiley.comdoi.orgonlinelibrary.wiley.com
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Škulj, Sanja ; Vazdar, Mario | A Computational Insight into Reaction Between Different Amino Acids with Reactive Aldehydes 4- hydroxy-2-nonenal and 4-oxo-2-nonenal // Croatica chemica acta, 92 (2019), 2; 229-239. doi: 10.5562/cca3579
doihrcak.srce.hrfulir.irb.hr
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Jovanović, Olga ; Škulj, Sanja ; Pohl, Elena E. ; Vazdar, Mario | Covalent modification of phosphatidylethanolamine by 4-hydroxy-2-nonenal increases sodium permeability across phospholipid bilayer membranes // Free radical biology & medicine, 143 (2019), 433-440. doi: 10.1016/j.freeradbiomed.2019.08.027
doidoi.orgwww.sciencedirect.comfulir.irb.hr
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Bakarić, Danijela ; Carić, Dejana ; Vazdar, Katarina ; Vazdar, Mario | Vibrational spectroscopy combined with molecular dynamics simulations as a tool for studying behavior of reactive aldehydes inserted in phospholipid bilayers // Chemistry and physics of lipids, 225 (2019), 104793, 9. doi: 10.1016/j.chemphyslip.2019.104793
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Škulj, Sanja ; Vazdar, Mario | Calculation of Apparent pKa Values of Saturated Fatty Acids with Different Lengths in DOPC Phospholipid Bilayers // PCCP. Physical chemistry chemical physics, 21 (2019), 19; 10052-10060. doi: 10.1039/C9CP01204D
doipubs.rsc.orgdoi.org
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Škulj, Sanja ; Vazdar, Katarina ; Margetić, Davor ; Vazdar, Mario | Revisited Mechanism of Reaction between a Model Lysine Amino Acid Side Chain and 4-Hydroxynonenal in Different Solvent Environments // Journal of organic chemistry, 84 (2019), 2; 526-535. doi: 10.1021/acs.joc.8b02231
doiwww.doi.orgpubs.acs.org
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Tesei, Giulio ; Vazdar, Mario ; Lund, Mikael | Coarse-grained model of titrating peptides interacting with lipid bilayers // The Journal of chemical physics, 149 (2018), 24; 244108, 13. doi: 10.1063/1.5058234
doiaip.scitation.org
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Sohora, Margareta ; Vazdar, Mario ; Sović, Irena ; Mlinarić-Majerski, Kata ; Basarić, Nikola | Photocyclization of tetra- and pentapeptides containing adamantylphthalimide and phenylalanines: reaction efficiency and diastereoselectivity // Journal of organic chemistry, 83 (2018), 24; 14905-14922. doi: 10.1021/acs.joc.8b01785
doipubs.acs.org
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Vlahoviček-Kahlina, Kristina ; Vazdar, Mario ; Jakas, Andreja ; Smrečki, Vilko ; Jerić, Ivanka | Synthesis of Glycomimetics by Diastereoselective Passerini Reaction // Journal of organic chemistry, 83 (2018), 21; 13146-13156. doi: 10.1021/acs.joc.8b01874
doipubs.acs.org
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Vazdar, Mario ; Heyda, Jan ; Mason, Philip E. ; Tesei, Giulio ; Allolio, Christoph ; Lund, Mikael ; Jungwirth, Pavel | Arginine “Magic”: Guanidinium Like-Charge Ion Pairing from Aqueous Salts to Cell Penetrating Peptides // Accounts of chemical research, 51 (2018), 6; 1455-1464. doi: 10.1021/acs.accounts.8b00098
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Pashkovskaya, Alina A. ; Vazdar, Mario ; Zimmermann, Lars ; Jovanović, Olga ; Pohl, Peter ; Pohl, Elena E. | Mechanism of Long-Chain Free Fatty Acid Protonation at the Membrane-Water Interface // Biophysical journal, 114 (2018), 9; 2142-2151. doi: 10.1016/j.bpj.2018.04.011
doiwww.sciencedirect.com
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Vähäheikkilä, Marjut ; Peltomaa, Tapio ; Róg, Tomasz ; Vazdar, Mario ; Pöyry, Sanja ; Vattulainen, Ilpo | How Cardiolipin Peroxidation Alters the Properties of the Inner Mitochondrial Membrane? // Chemistry and physics of lipids, 214 (2018), 15-23. doi: 10.1016/j.chemphyslip.2018.04.005
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Ekholm, Victor ; Vazdar, Mario ; Mason, Philip E. ; Bialik, Erik ; Walz, Marie-Madeleine ; Öhrwall, Gunnar ; Werner, Josephina ; Rubensson, Jan-Erik ; Jungwirth, Pavel ; Björneholm, Olle | Anomalous Surface Behavior of Hydrated Guanidinium Ions Due to Ion Pairing // The Journal of chemical physics, 148 (2018), 14; 144508, 5. doi: 10.1063/1.5024348
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Tesei, Giulio ; Vazdar, Mario ; Ringkjøbing Jensen, Malene ; Cragnell, Carolina ; Mason, Phil E. ; Heyda, Jan ; Skepö, Marie ; Jungwirth, Pavel ; Lund, Mikael | Self-association of a highly charged arginine-rich cell-penetrating peptide // Proceedings of the National Academy of Sciences of the United States of America, 114 (2017), 43; 11428-11433. doi: 10.1073/pnas.1712078114
doiwww.pnas.orgwww.pnas.org
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Artiglia, Luca ; Edebeli, Jacinta ; Orlando, Fabrizio ; Chen, Shuzhen ; Lee, Ming-Tao ; Corral- Arroyo, Pablo ; Gilgen, Anina ; Bartels-Rausch, Thorsten ; Kleibert, Armin ; Vazdar, Mario et al. | A surface-stabilized ozonide triggers bromide oxidation at the aqueous solution-vapor interface // Nature communications, 8 (2017), 700-1-700-8. doi: 10.1038/s41467-017-00823-x
doiwww.nature.com
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Pasquier, Coralie ; Vazdar, Mario ; Forsman, Jan ; Jungwirth, Pavel ; Lund, Mikael | Anomalous Protein-Protein Interactions in Multivalent Salt Solution // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 121 (2017), 14; 3000-3006. doi: 10.1021/acs.jpcb.7b01051
doipubs.acs.org
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Vazdar, Katarina ; Vojta, Danijela ; Margetić, Davor ; Vazdar, Mario | Reaction Mechanism of Covalent Modification of Phosphatidylethanolamine Lipids by Reactive Aldehydes 4-hydroxy-2-nonenal and 4-oxo-2-nonenal // Chemical research in toxicology, 30 (2017), 3; 840-850. doi: 10.1021/acs.chemrestox.6b00443
doipubs.acs.org
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Kokan, Zoran ; Perić, Berislav ; Vazdar, Mario ; Marinić, Željko ; Vikić-Topić, Dražen ; Meštrović, Ernest ; Kirin, Srećko I. | Metal-Induced Supramolecular Chirality Inversion of Small Self-Assembled Molecules in Solution // Chemical communications, 53 (2017), 12; 1945-1948. doi: 10.1039/c6cc09203a
doipubs.rsc.orgdx.doi.orgpubs.rsc.org
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Riedlova, Kamila ; Nekardova, Michaela ; Kacer, Petr ; Syslova, Kamila ; Vazdar, Mario ; Jungwirth, Pavel ; Kudova, Eva ; Cwiklik, Lukasz | Distributions of Therapeutically Promising Steroids in Cellular Membranes // Chemistry and physics of lipids, 203 (2017), 78-86. doi: 10.1016/j.chemphyslip.2016.12.004
doiwww.sciencedirect.comdx.doi.org
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Robison, Aaron D. ; Sun, Simou ; Poyton, Matthew F. ; Johnson, Gregory A. ; Pellois, Jean-Philippe ; Jungwirth, Pavel ; Vazdar, Mario ; Cremer, Paul S. | Polyarginine interacts more strongly and cooperatively than polylysine with phospholipid bilayers // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 120 (2016), 45; 9287-9296. doi: 10.1021/acs.jpcb.6b05604
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Vazdar, Mario ; Eckert-Maksić, Mirjana ; Lischka, Hans | The antiferromagnetic spin coupling in non- Kekulé Acenes–impressive poly-radical character revealed by high level multi-reference methods // ChemPhysChem, 17 (2016), 13; 2013-2021. doi: 10.1002/cphc.201600103
doionlinelibrary.wiley.comonlinelibrary.wiley.com
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Vojta, Danijela ; Horvat, Tomislav ; Miljanić, Snežana ; Vazdar, Mario | Unraveling the Weak Hydrogen Bonds of Ethynylpyridines and Ethynylbenzene with Trimethylphosphate – A Combined FT-Raman Spectroscopic and Quantum-chemical Study // Journal of molecular liquids, 218 (2016), 499-507. doi: 10.1016/j.molliq.2016.02.042
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Vazdar, Mario ; Eckert-Maksić, Mirjana | Multireference Configuration Interaction Methods : An Application to the Valence Isomerism in Cyclobutadieno-p-benzoquinone and its Diprotonated Form // Croatica chemica acta, 88 (2015), 4; 495-503. doi: 10.5562/cca2770
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Allolio, Christoph ; Baxova, Katarina ; Vazdar, Mario ; Jungwirth, Pavel | Guanidinium Pairing Facilitates Membrane Translocation // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 120 (2016), 1; 143-153. doi: 10.1021/acs.jpcb.5b10404
doipubs.acs.org
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Vazdar, Katarina ; Vazdar, Mario | A computational study of regioselectivity in ß- lactam iminothiazolidinone formation // Tetrahedron letters, 56 (2015), 6908-6911. doi: 10.1016/j.tetlet.2015.10.101
doiwww.sciencedirect.com
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Jovanović, Olga ; Pashkovskaya, Alina, A. ; Annibal, Andrea ; Vazdar, Mario ; Burchardt, Nadine ; Sansone, Anna ; Gille, Lars ; Fedorova, Maria ; Ferreri, Carla ; Pohl, Elena E. | The molecular mechanism behind reactive aldehyde action on transmembrane translocations of proton and potassium ions // Free radical biology & medicine, 89 (2015), 1067-1076. doi: 10.1016/j.freeradbiomed.2015.10.422
doiwww.sciencedirect.com
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Dražić, Tonko ; Vazdar, Katarina ; Vazdar, Mario ; Đaković, Marijana ; Mikecin, Ana-Matea ; Kralj, Marijeta ; Malnar, Martina ; Hećimović, Silva ; Habuš, Ivan | Synthesis of new 2-aminoimidazolones with antiproliferative activity via base promoted amino-β-lactam rearrangement // Tetrahedron, 71 (2015), 49; 9202-9215. doi: 10.1016/j.tet.2015.10.048
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Vojta, Danijela ; Višnjevac, Aleksandar ; Leka, Zorica ; Kosović, Milica ; Vazdar, Mario | Temperature-induced release of crystal water in the Co, Mo and Pt complexes of N, N- diacetatedithiocarbamate. FTIR spectroscopy and quantum chemical study // Journal of molecular structure, 1103 (2016), 245-253. doi: 10.1016/j.molstruc.2015.09.038
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Kulig, W. ; Olżyńska, A. ; Jurkiewicz P. ; Kantola, A. M. ; Komulainen, S ; Manna, M. ; Pourmosa, M. ; Vazdar, Mario ; Cwiklik, L. ; Rog, T. et al. | Cholesterol under oxidative stress - how lipid membranes sense oxidation as cholesterol is being replaced by oxysterols // Free radical biology & medicine, 84 (2015), 30-41. doi: 10.1016/j.freeradbiomed.2015.03.006
doiwww.sciencedirect.comdx.doi.org
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Vazdar, Mario ; Mitchell, Anthony, S. ; Warrener, Ronald, N. ; Margetić, Davor | High pressure promoted exchange of guests from hemicarceplexes // Tetrahedron, 2015 (2015), 4; 550-553. doi: 10.1016/j.tet.2014.12.040
doiwww.sciencedirect.com
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Vojta, Danijela ; Kovačević, Goran ; Vazdar, Mario | The exploration of hydrogen bonding properties of 2, 6- and 3, 5-diethynylpyridine by IR spectroscopy // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 136C (2015), Part C; 1912-1923. doi: 10.1016/j.saa.2014.10.107
doiwww.sciencedirect.com
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Gladich, Ivan ; Francisco, Joseph ; Buszek, Robert ; Vazdar, Mario ; Carignano, Marcelo ; Shepson, Paul | Ab Initio Study of the Reaction of Ozone with Bromide Ion // The journal of physical chemistry. A, 119 (2015), 19; 4482-4488. doi: 10.1021/jp5101279
doipubs.acs.orgpubs.acs.org
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Pokorna, Sarka ; Jurkiewicz, Piotr ; Vazdar, Mario ; Cwiklik, Lukasz ; Jungwirth, Pavel ; Hof, Martin | Does fluoride disrupt hydrogen bond network in cationic lipid bilayer? Time-dependent fluorescence shift of Laurdan and MD simulations // The Journal of chemical physics, 141 (2014), 22; 22D516, 10. doi: 10.1063/1.4898798
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Vojta, Danijela ; Vazdar, Mario | The study of hydrogen bonding and p i...pi interactions in phenol ... ethynylbenzene complex by IR spectroscopy // Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 132 (2014), 1/2; 6-14. doi: 10.1016/j.saa.2014.04.149
doidx.doi.orgwww.sciencedirect.com
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Eckert-Maksić, Mirjana ; Antol, Ivana ; Vazdar, Mario | Nonadiabatic Photodynamical Simulations in the Gas Phase and in the Argon Matrix // Computational and theoretical chemistry, 1040/1041 (2014), 136-143. doi: 10.1016/j.comptc.2014.02.025
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Timr, Stepan ; Bondar, Alexey ; Cwiklik, Lukasz ; Stefl, Martin ; Hof, Martin ; Vazdar, Mario ; Lazar, Josef ; Jungwirth, Pavel | Accurate Determination of the Orientational Distribution of a Fluorescent Molecule in a Phospholipid Membrane // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 118 (2014), 4; 855-863. doi: 10.1021/jp4067026
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Vazdar, Mario ; Wernersson, Erik ; Khabiri, Morteza ; Cwiklik, Lukasz ; Jurkiewicz, Piotr ; Hof, Martin ; Mann, Ella ; Kolusheva, Sofiya ; Jelinek, Raz ; Jungwirth, Pavel | Aggregation of Oligoarginines at Phospholipid Membranes: Molecular Dynamics Simulations, Time- Dependent Fluorescence Shift, and Biomimetic Colorimetric Assays // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 117 (2013), 39; 11530-11540. doi: 10.1021/jp405451e
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Vazdar, Mario ; Jungwirth, Pavel ; Mason, Philip | Aqueous Guanidinium-Carbonate Interactions by Molecular Dynamics and Neutron Scattering: Relevance to Ion-Protein Interactions // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 117 (2013), 6; 1844-1848. doi: 10.1021/jp310719g
doipubs.acs.orgpubs.acs.org
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Antol, Ivana ; Eckert-Maksić, Mirjana ; Vazdar, Mario ; Ruckenbauer, Matthias ; Lischka, Hans | QM/MM nonadiabatic decay dynamics of formamide in polar and nonpolar solvents // PCCP. Physical chemistry chemical physics, 14 (2012), 38; 13262-13272. doi: 10.1039/C2CP41830D
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Vazdar, Mario ; Pluharova, Eva ; Mason, Philip ; Vacha, Robert ; Jungwirth, Pavel | Ions at Hydrophobic Aqueous Interfaces: Molecular Dynamics with Effective Polarization // Journal of physical chemistry letters, 3 (2012), 15; 2087-2091. doi: 10.1021/jz300805b
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Vazdar, Mario ; Uhlig, Frank ; Jungwirth, Pavel | Like-charge Ion Pairing in Water: An ab initio Molecular Dynamics Study of Aqueous Guanidinium Cations // Journal of physical chemistry letters, 3 (2012), 15; 2021-2024. doi: 10.1021/jz3007657
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Pokorna, Sarka ; Jurkiewicz, Piotr ; Cwiklik, Lukasz ; Vazdar, Mario ; Hof, Martin | Interactions of monovalent salts with cationic lipid bilayers // FARADAY DISCUSSIONS, 160 (2013), 341-358. doi: 10.1039/c2fd20098h
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Vazdar, Mario ; Jurkiewicz, Piotr ; Hof, Martin ; Jungwirth, Pavel ; Cwiklik, Lukasz | Behavior of 4-Hydroxynonenal in Phospholipid Membranes // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 116 (2012), 22; 6411-6415. doi: 10.1021/jp3044219
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Kubickova, Anna ; Krizek, Tomas ; Coufal, Pavel ; Vazdar, Mario ; Wernersson, Erik ; Heyda, Jan ; Jungwirth, Pavel | Overcharging in biological systems: Reversal of electrophoretic mobility of aqueous polyaspartate by multivalent cations // Physical review letters, 108 (2012), 18; 186101-1-186101-4. doi: 10.1103/PhysRevLett.108.186101
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Cwiklik, Lukasz ; Aquino, Adelia ; Vazdar, Mario ; Jurkiewicz, Piotr ; Pittner, Jiri ; Hof, Martin ; Lischka, Hans | Absorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study // The journal of physical chemistry. A, 115 (2011), 41 (S.I.); 11428-11437. doi: 10.1021/jp205966b
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Wernersson, Erik ; Heyda, Jan ; Vazdar, Mario ; Lund, Mikael ; Mason, Philip ; Jungwirth, Pavel | Orientational Dependence of the Affinity of Guanidinium Ions to the Water Surface // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 115 (2011), 43; 12521-12526. doi: 10.1021/jp207499s
doipubs.acs.orgpubs.acs.org
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Faraji, Shirin ; Vazdar, Mario ; Reddy, Sivaranjana V. ; Eckert- Maksić, Mirjana ; Lischka, Hans ; Koeppel, Horst | Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole // The Journal of chemical physics, 135 (2011), 15; 154310, 13. doi: 10.1063/1.3651536
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Vazdar, Mario ; Vymetal, Jiri ; Heyda, Jan ; Vondrasek, Jiri ; Jungwirth, Pavel | Like-Charge Guanidinium Pairing from Molecular Dynamics and Ab Initio Calculations // The journal of physical chemistry. A, 115 (2011), 41; 11193-11201. doi: 10.1021/jp203519p
doipubs.acs.orgpubs.acs.org
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Eckert-Maksić, Mirjana ; Vazdar, Mario ; Ruckenbauer, Matthias ; Barbatti, Mario ; Müller, Thomas ; Lischka, Hans | Matrix-Controlled Photofragmentation of Formamide: Dynamics Simulation in Argon by Nonadiabatic QM/MM Method // PCCP. Physical chemistry chemical physics, 12 (2010), 39; 12719-12726. doi: 10.1039/C0CP00174K
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Škorić, Irena ; Pavošević, Fabijan ; Vazdar, Mario ; Marinić, Željko ; Šindler-Kulyk, Marija ; Eckert-Maksić, Mirjana ; Margetić, Davor | Thermal reaction of [3,4]-benzo-8-substituted-3Z,5Z,7E-octatetraenes and quantum-chemical study of the (8π,6π)-electrocyclisation // Organic & biomolecular chemistry, 9 (2011), 19; 6771-6778. doi: 10.1039/c1ob05802a
doipubs.rsc.orgdx.doi.org
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Glasovac, Zoran ; Antol, Ivana ; Vazdar, Mario ; Margetić, Davor | Zwitterionic structures of strained cis-pyramidalised disilenes – Fact or artifact // Theoretical chemistry accounts, 124 (2009), 5-6; 421-430. doi: 10.1007/s00214-009-0633-x
doilink.springer.comdoi.org
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Eckert-Maksić, Mirjana ; Lischka, Hans ; Maksić, Zvonimir B. ; Vazdar, Mario | The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study // The journal of physical chemistry. A, 113 (2009), 29; 8351-8358. doi: 10.1021/jp9015273
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Vazdar, Mario ; Eckert-Maksić, Mirjana ; Barbatti, Mario ; Lischka, Hans | Excited-state non-adiabatic dynamics simulations of pyrrole // Molecular physics, 107 (2009), 8-12; 845-854. doi: 10.1080/00268970802665639
doiwww.tandfonline.comdoi.org
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Glasovac, Zoran ; Vazdar, Mario ; Margetić, Davor | Proton affinities of didehydroporphyrin and subporphyrin in ground and excited states obtained by quantum chemical calculations // Croatica chemica acta, 82 (2009), 1; 63-70
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Antol, Ivana ; Vazdar, Mario ; Barbatti, Mario ; Eckert-Maksić, Mirjana | The effect of protonation on the photodissociation processes in formamide – an ab initio surface hopping dynamics study // Chemical Physics, 349 (2008), 1-3; 308-318. doi: 10.1016/j.chemphys.2008.01.026
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Barbatti, M. ; Granucci, G. ; Persico, M. ; Ruckenbauer, M. ; Vazdar, Mario ; Eckert-Maksić, Mirjana ; Lischka, H. | The on-the-fly surface-hopping program system NEWTON-X: application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems // Journal of photochemistry and photobiology. A, Chemistry, 190 (2007), 2-3; 228-240-x
www.sciencedirect.com
-
Barbatti, Mario ; Vazdar, Mario ; Aquino, Adelia J. A. ; Eckert-Maksić, Mirjana ; Lischka, Hans | The nonadiabatic deactivation paths of pyrrole // The Journal of chemical physics, 125 (2006), 16; 164323, 7. doi: 10.1063/1.2363376
doiaip.scitation.org
-
Eckert-Maksić, Mirjana ; Vazdar, Mario ; Barbatti, Mario ; Lischka, Hans ; Maksić, Zvonimir B. | Automerization reaction of cyclobutadiene and its barrier height: an ab initio benchmark multireference average-quadratic coupled cluster study // The Journal of chemical physics, 125 (2006), 6; 064310, 9. doi: 10.1063/1.2222366
doiaip.scitation.org
-
Moina, Carlos A. ; de Olivera-Veršić, L. ; Vazdar, Mario | Magnetic domain states in nano-sized Co nuclei electrodeposited onto monocrystalline silicon // Materials letters, 58 (2004), 27-28; 3518-3522. doi: 10.1016/j.matlet.2004.06.041
doiwww.sciencedirect.com
-
Carlos, Moina ; Vazdar, Mario | Electrodeposition of nano-sized nuclei of magnetic Co-Ni alloys on n-Si(100) // Electrochemistry communications, 3 (2001), 4; 159-163. doi: 10.1016/S1388-2481(01)00114-X
doiwww.sciencedirect.com
