• Associate Professor at the Department of Physical Chemistry, Faculty of Chemistry, University of Lodz, Lodz, Poland, 2024-2025
• Researcher and instructor at the Department of Chemistry, University of South Bohemia, České Budějovice, Czechia, 2020-2024
• Head of the Centre for Nanobiology and Structural Biology of the Institute of Microbiology of the Czech Academy of Sciences, 2018-2020.
• Research group leader in the Laboratory of Structural Biology and Bioinformatics of the Institute of Microbiology of the Czech Academy of Sciences, November 2012 – 31st December 2022.
• Researcher at the University of Niigata, Niigata, Japan, May 2011 – November 2012.
• Researcher at the University of Kyushu, Fukuoka, Japan, November 2010 – May 2011.
• Researcher in the Institute of System Biology and Ecology, Academy of Sciences of the Czech Republic, 2007 -2010.
• Researcher in the Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 2004 -2007.
• Researcher at Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, October 2003 to February 2004.

Research interests

I am interested in different aspects of computational chemistry and its application in physical chemistry, environmental chemistry, and enzymatic catalytic reactions in aqueous and non-aqueous solutions. The methodology I have been using is based on molecular modelling computer simulations, particularly classical molecular dynamics (MD) simulations. In addition, I am interested in the application of molecular dynamics (MD) simulations on carbon-based nanomaterials for energy and environmental-related research. Application of non-aqueous media for energy and CO₂ capture in the chemical process by MD simulations. In addition, I am interested in the interaction of Nano-materials, particularly carbon-based Nano compounds such as graphene, graphene oxide, carbon nanotubes, and biochar, with biomolecules. The interaction of polymers and bio-polymers with biomolecules for different applications, such as drug delivery, is also my research direction to pursue by means of computational chemistry-based methods.

More than 80 research and review papers in international journals with more than 2600 citations (H-index 32) based on Google Scholar.

Publications

• Marousek, J.; Gavurova, B.; Marouskova, A.; Minofar, B. Techno-Economic Aspects of Concrete Lightweighting by Char Enrichment with Phosphates from Wastewater. Chem. Eng. J. Adv. 2025, 100712. https://doi.org/10.1016/j.ceja.2025.100712
• Minofar, B.; Milčić, N.; Maroušek, J.; Gavurová, B.; Maroušková, A. Understanding the Molecular Mechanisms of Interactions between Biochar and Denitrifiers in N₂O Emissions Reduction: Pathway to More Economical and Sustainable Fertilizers. Soil Tillage Res. 2025, 248, 106405. https://doi.org/10.1016/j.still.2024.106405
• Taherkhani, F.; Minofar, B. The Impact of Chemical Modifications on The Ionic Conductivity of Ionic Liquid Encapsulated in Carbon Nanotubes, Potential Application in Aluminum Ion Battery. Chem. Phys. 2024, 582, 112278.https://doi.org/10.1016/j.chemphys.2024.112278
• Lin H.Y., Imbrogno A., Gopalakrishnan A., Minofar B., and Schäfer A.I., Role of Cyclodextrin Cross-Linker Type on Steroid Hormone Micropollutant Removal from Water Using Composite Nanofiber Membrane, ACS Applied Polymer Materials, 2024, t.6, pp. 7184–7196. doi.org/10.1016/j.memsci.2023.122212
• Kalydi E., Sebák F., Fiser B., Minofar B., Moussong É., Malanga M., Bodor A., Kardos J., and Béni S., Exceptional stability of the sugammadex-solasodine complex: Insights from experimental and theoretical studies, Carbohydrate Polymers, 2024, t.348, pp. 1–13. doi.org/10.1016/j.carbpol.2024.122819
• Duro, A.; Goudou, F.; Carmenate-Rodriguez, C.; Melchor-Rodriguez, K.; Minofar, B.; Gaspard, S.; Jauregui-Haza, U. A Computational Study of Adsorption on Activated Carbons Containing Basic Oxygenated Surface Groups of Two Priority Organochlorine Pesticides from Water. Colloids Surfaces, A Physicochem. Eng. Asp. 2024, 135449. doi.org/10.1016/j.colsurfa.2024.135449
• Imbrogno, A.; Lin, H. Y.; Gopalakrishnan, A.; Minofar, B.; Schäfer, A. I. Functionalized Composite Nanofiber Membranes for Selective Steroid Hormone Micropollutants Uptake from Water: Role of Cyclodextrin Type. Water Res. 2024, 122543.  https://doi.org/10.1016/j.watres.2024.122543
• Imbrogno, A.; Lin, H. Y.; Minofar, B.; Schäfer, A. I. Nanofiber Composite Ultrafiltration Membrane Functionalized with Cross-Linked β-Cyclodextrin for Steroid Hormone Micropollutant Removal. J. Memb. Sci. 2024, 691. doi.org/10.1016/j.memsci.2023.122212

• Sochacki, A.; Lebrun, M.; Minofar, B.; Pohorely, M.; Vithanage, M.; Sarmah, A. K.; Hudcová, B. B.; Buchtelík, S.; Trakal, L. Adsorption of Common Greywater Pollutants and Nutrients by Various Biochars as Potential Amendments for Nature-Based Systems: Laboratory Tests and Molecular Dynamics. Environmental Pollution 343 (2024) 123203, doi.org/10.1016/j.envpol.2023.123203
• Nithya, S.; Chinnathambi, A.; Alharbi, S. A.; Minofar, B. Carbon Neutrality with Ammonia: An Analysis of Its Feasibility as a Fuel for Diesel Engines Fuelled with Spirulina Microalgae and Oxygenated Additives. Fuel 361 (2024) 130628, doi.org/10.1016/j.fuel.2023. 130628
• Fatemeh Fadaei, Mariagrazia Tortora, Alessandro Gessini, Claudio Masciovecchio, Jacopo Vigna, Ines Mancini, Andrea Mele, Jan Vacek, Babak Minofar, Barbara Rossi, Local and cooperative structural transitions of double-stranded DNA in choline-based deep eutectic solvents, International Journal of Biological Macromolecules 256,(2) ,2024,128443; doi.org/10.1016/j.ijbiomac.2023.128443 
• Natalia Kulik, Babak Minofar, Adam Jugl, and Miloslav Pekař, Computational Study of Complex Formation between Hyaluronan Polymers and Polyarginine Peptides at Various Ratios, Langmuir 2023, 39 (40), 14212-14222 DOI: 10.1021/acs.langmuir.3c01318
• Alessandra Imbrogno, Han Ya Lin, Babak Minofar, Andrea Iris Schäfer, Nanofiber composite ultrafiltration membrane functionalized with cross-linked β-cyclodextrin for steroid hormone micropollutant removal, Journal of Membrane Science 691 (2024) 122212, DOI: doi.org/10.1016/j.memsci.2023.122212
• Maroušek, J.; Minofar, B.; Maroušková, A.; Strunecký, O. Environmental Technology & Innovation Environmental and Economic Advantages of Production and Application of Digestate Biochar. Environ. Technol. Innov. 2023, 30, 103109. DOI: doi.org/10.1016/j.eti.2023.103109
• Vacek, J.; Zatloukalova, M.; Bartheldyova, E.; Reha, D.; Minofar, B.; Bednarova, K.; Renciuk, D.; Coufal, J.; Fojta, M.; Zadny, J.; et al. Hexahelicene DNA-Binding: Minor Groove Selectivity, Semi-Intercalation and Chiral Recognition. Int. J. Biol. Macromol. 2023, 250. DOI: doi.org/10.1016/j.ijbiomac.2023.125905
• Maroušek, J.; Maroušková, A.; Gavurová, B.; Minofar, B. Techno-Economic Considerations on Cement Substitute Obtained from Waste Refining. J. Clean. Prod. 2023, 412, 137326. DOI: doi.org/10.1016/j.jclepro.2023.137326
• Anthuan Ferino-Pérez, Queiroz Portorreal, Juan J. Gamboa-Carballo, Babak Minofar, Sarra Gaspard, Ulises J. Jaúregui-Haza, Competitive formation of molecular inclusion complexes of chlordecone and β-hexachlorocyclohexane with natural cyclodextrins: DFT and molecular dynamics study. J Mol Model 29, 196 (2023). doi.org/10.1007/s00894-023-05600-w
• Monikaben Padariya, Maciej Baginski, Minofar Babak, Umesh Kalathiya, Organic solvents aggregating and shaping the structural folding of the protein, a case study of the protease enzyme, Biophysical Chemistry 291 (2022) 106909, doi.org/10.1016/j.bpc.2022.106909
• Katja Ester, Marija Mioč, Pavel Spurny, Daniel Bonhenry, MarkoMarjanović, Lidija Uzelac, Jelena Gabrilo, Tatjana Šumanovac, Wolfgang Schreibmayer, Kata Majerski, Babak Minofar , Jost Ludwig, Marijeta Kralj; Targeting plasma membrane and mitochondrial instability in breast cancer cells and breast epithelial to mesenchymal transition-model cells by adamantyl diaza-crown ether ZG613.
• Recep Isci, Elif Baysak, Gurkan Kesan, Babak Minofar, Mehmet S. Eroglu, Sultan F. Gorkem, Turan Ozturk; Noncovalent Modification of Single Wall Carbon Nanotubes (SWCNTs) by Thienothiophene Derivatives, Nanoscale, 2022, doi.org/10.1039/D2NR04582F
• Alvarez-Galvan, Y.; Minofar, B.; Futera, Z.; Francoeur, M.; Jean-Marius, C.; Brehm, N.; Yacou, C.; Jauregui-Haza, U.J.; Gaspard, S. Adsorption of Hexavalent Chromium Using Activated Carbon Produced from Sargassum ssp.: Comparison between Lab Experiments and Molecular Dynamics Simulations. Molecules 2022, 27, 6040. DOI: 10.3390/molecules27186040
• Gálvez‑Rodríguez A., Ferino‑Pérez A., Rodríguez‑Riera Z., Rodeiro Guerra I., Řeha D., Minofar B., J. Jsáuregui‑Haza J.,; Explaining the interaction of mangiferin with MMP-9 and NF-ƙβ: a computational study. J. Mol. Model. 28, 266 (2022). doi.org/10.1007/s00894-022-05260-2
• Shope, B.; Magers, D. B.; Pelczer, I.; Řeha, D.; Minofar, B.; Carey, J. NMR and Computational Studies of Ammonium Ion Binding to Dibenzo ‑ 18 ‑ Crown ‑ 6. Struct. Chem., 2022, doi.org/10.1007/s11224-022-02017-8
• Berta, M.; Sedl, D.; Du, E.; Dzurillov, V.; Minofar, B.; Shaposhnikova, A.; Fadaei, F.; Sedl, E., Specific Anion Effect on Properties of HRV 3C Protease, Biophys Chem. 2022, 287; doi.org/10.1016/j.bpc.2022.106825 
•  Dusekov´E. , Garajova K. , Yavaser R., Tomkova M., Sedlakova D. Dzurillova V., Kulik N., Fadaei F., Shaposhnikova A., Minofar B., Sedlak E.; Modulation of global stability, ligand binding and catalytic properties of trypsin by anions, Biophysical Chemistry 288 (2022) 106856; doi.org/10.1016/j.bpc.2022.106856
• Eremenko Z.E., Pashynska V.A., Kuznetsova K.S., Shaposhnikova A., Minofar B.; Combined Microwave Dielectrometry and Molecular Dynamic Study of Aqueous Solutions of Human Serum Albumin with Additives; Journal of Molecular Liquids 364 (2022) 119981, doi.org/10.1016/j.molliq.2022.119981
• Kari N, Zannotti M, Giovannetti R, Řeha D, Minofar B, Shawket A, Yimit A. Metallic Effects on p-Hydroxyphenyl Porphyrin Thin-Film-Based Planar Optical Waveguide Gas Sensor: Experimental and Computational Studies. Nanomaterials. 2022; 12(6):944. https:// doi.org/ 10.3390/nano12060944
• Shaposhnikova, A.; Kuty, M.; Chaloupkova, R.; Damborsky, J.; Kuta Smatanova, I.; Minofar, B.; Prudnikova, T. Stabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids. Crystals 2021, 11, 1052. doi.org/10.3390/cryst11091052
• Mrozik, W.; Minofar, B.; Thongsamer, T.; Wiriyaphong, N.; Khawkomol, S.; Plaimart, J.; Vakros, J.; Karapanagioti, H.; Vinitnantharat, S.; Werner, D. Valorisation of Agricultural Waste Derived Biochars in Aquaculture to Remove Organic Micropollutants from Water – Experimental Study and Molecular Dynamics Simulations. J. Environ. Manage. 2021, 300, 113717. doi.org/10.1016/j.jenvman.2021.113717
• Aryafard, M.; Minofar, B.; Cséfalvay, E.; Malinova, L.; Řeha, D. (2021) Novel Room Temperature Ionic Liquids and Low Melting Mixtures Based on Imidazolium: Cheap Ionic Solvents for Chemical and Biological Applications. J. Mol. Liq. 344, 117877. doi.org/10.1016/j.molliq.2021.117877
•  Borthakur, P.; Aryafard, M.; Zara, Z.; Reha, D.; Minofar, B.; Das, M.; Vithanage, M. (2021) Computational and experimental assessment of pH and specific ions on the solute solvent interactions of clay-biochar composites towards tetracycline adsorption: Implications on wastewater treatment.  J. Env. Man. 283, 111989. doi.org/10.1016/j.jenvman.2021.111989
• Fadaei, F., Seifert, M., Raymond, J. R., Řeha, D., Kulik, N., Minofar, B., & Heitz, M. P. Interactions between a dsDNA oligonucleotide and imidazolium chloride ionic liquids: effect of alkyl chain length, Part I. Molecules, 27(1), 116. doi.org/10.3390/molecules27010116
• Zara, Z., Mishra, D., Pandey, S. K., Csefalvay, E., Fadaei, F., Minofar, B., & Řeha, D.. Surface interaction of ionic liquids: stabilization of polyethylene terephthalate-degrading enzymes in solution. Molecules, 27(1), 119. https:// doi.org/ 10.3390/ molecules27010119
• Fatemeh Fadaei, Mariagrazia Tortora, Alessandro Gessini, Claudio Masciovecchio, Sara Catalini, Jacopo Vigna, Ines Mancini, Andrea Mele, Jan Vacek, David Reha, Babak Minofar, Barbara Rossi (2021). Structural specificity of groove binding mechanism between imidazolium-based Ionic Liquids and DNA revealed by synchrotron-UV Resonance Raman spectroscopy and molecular dynamics simulations. J. Mol. Liq.118350. doi.org 10.1016/j.molliq.2021.118350
• Kari N, Zannotti M, Mamtmin G, Giovannetti R, Minofar B, Řeha D, Maimaiti P, Kutilike B, Yimit A. Substituent Effect on Porphyrin Film-Gas Interaction by Optical Waveguide: Spectrum Analysis and Molecular Dynamic Simulation. Materials. 2020; 13(24):5613. doi.org/10.3390/ma13245613
• Uddin M. N., Basak D., Hopefl R., & Minofar B. (2020). Potential Application of Ionic Liquids in Pharmaceutical Dosage Forms for Small Molecule Drug and Vaccine Delivery System. Journal of Pharmacy & Pharmaceutical Sciences, 23(1), 158-176. https:// doi.org/ 10.18433/jpps30965
• Meysam Aryafard, Anis Karimi, Ali Reza Harifi-Mood, and Babak Minofar, Molecular Dynamics Simulations, Solvatochromic Parameters, and Preferential Solvation in Aqueous Solutions of Ethaline, Ethylene Glycol, and Choline Chloride, Journal of Chemical & Engineering Data 2020 65 (9), 4556-4566 DOI: 10.1021/acs.jced.0c00381
• Zsófia Borbála Rózsa, Babak Minofar, David Řeha, Béla Viskolcz, Milán Szőri (2020). From the vapor-liquid equilibrium to the supercritical condition. Molecular dynamics modeling of 1,3-butadiene, Journal of Molecular Liquids 315 (2020) 113702, 113702; doi.org/10.1016/j.molliq.2020.113702
• Aryafard, M., Abbasi, M., Řeha, D., Harifi-Mood, A. R., Minofar, B.; Experimental and theoretical investigation of solvatochromic properties and ion solvation structure in DESs of reline, glyceline, ethaline and their mixtures with PEG 400. Journal of Molecular Liquids 284 (2019) 59–67.doi: 10.1016/j.molliq.2019.03.149 
• Meysam Aryafard, Mohammadjavad Jahanshahi, Ali Reza Harifi-Mood, Babak Minofar, and Ivana Kuta Smatanova; Experimental and Theoretical Studies of Preferential Solvation of 4-Nitroaniline and 4-Nitroanisole in an Amino Acid Ionic Liquid with Molecular Solvents, J. Chem. Eng. Data 2019, 64, 12, 5755–5764; DOI: 10.1021/acs.jced.9b00719
• Zeanat Zara, Saurabh K. Pandey, Babak Minofar, Ionic liquid based nano-materials for drug delivery. Encyclopedia of Ionic Liquids: Springer Nature Singapore Pte Ltd. 2019, Online ISBN: 978-981-10-6739-6,
• Taherkhani F. Minofar B., Static and dynamical properties of colloidal silver nanoparticles in [EMim][PF6] ionic liquid, book chapter, “Ionic Liquids Synthesis, Properties, Technologies and Applications, DOI: 10.1515/9783110583632-006, Publisher: De Gruyter, Incorporated, Springer Singapore, 2019; pp 1–5.
• D'Oronzo, E. , Secundo, F. , Minofar, B. , Kulik, N. , Pometun, A. A. and Tishkov, V.
• I., Activation/Inactivation Role of Ionic Liquids on Formate Dehydrogenase from Pseudomonas sp. 101 and Its Mutated Thermostable Form. ChemCatChem 2018, 10, 3247, doi:10.1002/cctc.201800145
• Borthakur, P.; Boruah, P. K.; Das, M. R.; Kulik, N.; Minofar, B. Adsorption of 17 α -Ethynyl Estradiol and β -Estradiol on Graphene Oxide Surface : An Experimental and Computational Study. J. Mol. Liq. 2018, 269, 160–168. https://doi.org/10.1016/j.molliq.2018.08.013
• Zannotti, M.; Giovannetti, R.; Minofar, B.; Řeha, D.; Plačková, L.; D’Amato, C. A.; Rommozzi, E.; Dudko, H. V.; Kari, N.; Minicucci, M. Aggregation and Metal-Complexation Behaviour of THPP Porphyrin in Ethanol/water Solutions as Function of pH;  Spectrochim. Acta - Part A Mol. Biomol. Spectrosc. 2018, (193), 235-248, doi.org/10.1016/j.saa. 2017.12.021
• Seidi, K.; Jahanban-Esfahlan, R.; Monhemi, H.; Zare, P.; Minofar, B.; Daei Farshchi Adli, A.; Farajzadeh, D.; Behzadi, R.; Mesgari Abbasi, M.; Neubauer, H. A.; et al. NGR (Asn-Gly-Arg)-Targeted Delivery of Coagulase to Tumor Vasculature Arrests Cancer Cell Growth. Oncogene 2018; doi:10.1038/s41388-018-0213-4
• Staleva-musto, H.; Kuznetsova, V.; West, R. G.; Kesan, G.; Minofar, B.; Fuciman, M.; Bina, D.; Litvin, R.; Polivka, T. Non-Conjugated Acyloxy Group Deactivates the Intramolecular Non-Conjugated Acyloxy Group Deactivates the Intramolecular Charge Transfer State in the Carotenoid Fucoxanthin. J. Phys. Chem. B. 2018, 22;122(11):2922-2930. doi: 10.1021/acs.jpcb.8b00743.
• Rana Jahanban-Esfahlan, Khaled Seidi, Hassan Monhemi, Amir Daei Farshchi Adli, Babak  Minofar, Peyman Zare, Davoud Farajzadeh, Safar Farajnia, Ramezan Behzadi, Mehran Mesgari Abbasi, Nosratollah Zarghami & Tahereh Javaheri RGD delivery of truncated coagulase to tumor vasculature affords local thrombotic activity to induce infarction of tumors in mice, Scientific Reports 7, 8126 (2017), doi:10.1038/s41598-017-05326-9

• Taherkhani F. Minofar B., The Effect Of Nitrogen Doping On Glass Transition and electrical Conductivity Of [EMIM][PF6] Ionic Liquid Encapsulated In Zigzag Carbon Nanotube, J. Phys. Chem. C 2017, 121, 29, 15493-15508, DOI: 10.1021/acs.jpcc. 7b00911

• Priyakshree Borthakur, Purna K. Boruaha,, Najrul Hussaina,, Bhagyasmeeta Sharma, Babak Minofar, Manash R., Das, An experimental and theoretical study of specific ion effect on the graphene oxide surface and investigation of their influence in reactive extraction of model dye molecule at water/organic interface, J. Phys. Chem. C, 2016, 120 (26), pp 14088–14100
• Harifi-Mood A.R, Ghobadi R., Matić S, Minofar B., Řeha D., Solvation analysis of some Solvatochromic probes in binary mixtures of reline, ethaline, and glyceline with DMSO, Journal of Molecular Liquids, (222),2016, 845–853 http:// dx.doi.org/ 10.1016/j. molliq.2016.07.036
• Minofar B., Self-assembly of ionic liquids at the air/water interface, the Journal of Self-Assembly and Molecular Electronics, doi: 10.13052/jsame2245-4551.2015005
• Kroutil O., Minofar B., Kabeláč M., Structure and Dynamics of Solvated Hydrogenoxalate and Oxalate Anions: a Theoretical Study, Journal of Molecular Modeling, 2016, 22(9), 1-10 DOI 10.1007/s00894-016-3075-0
•  Kesan G., Durchan M., Tichy J., Minofar B., Kuznetsova V. Fuciman M. Slouf V. Parlak, C., Polivka T., Different Response of Carbonyl Carotenoids to Solvent Proticity Helps to Estimate Structure of the Unknown Carotenoid From Chromera Velia, J. Phys. Chem. B, 2015, 119 (39), pp 12653–12663
• Harifi-Mood AR., Aryafard M., Minofar B., Ziyaei-Halimehjani A., Specific spectroscopic behavior of Reichardt's betaine dye in binary mixtures of tetra-n-butylammonium glycinate and tetra-n-butylammonium lalaninate with molecular solvents. Journal of Molecular Liquids, (197), 2014, 315–321, DOI: 10.1016/j.molliq.2014.05.010
•  Habartova, A.; Obisesan, A; Minofar, B; Roeselova, M. ; Partial hydration of n-alkyl halides at the water-vapor interface: a molecular simulation study with atmospheric implications; THEORETICAL CHEMISTRY ACCOUNTS, 2014,133,(3); 10.1007/s00214-014-1455-z
• Doi H.; Song XD.; Minofar B.; Kanzaki R.; Takamuku T.; Umebayashi Y.; A New Proton Conductive Liquid with No Ions: Pseudo-Protic Ionic Liquids; CHEMISTRY-A EUROPEAN JOURNAL, 2013, 19 (35);11522-11526; DOI: 10.1002/chem.201302228
• Kurisaki T., Tanaka D., Inoue Y., Wakita H., Minofar B., Fukuda S., Ishiguro H., Umebayashi, Y.Surface Analysis of Ionic Liquids with and without Lithium Salt Using X-ray Photoelectron Spectroscopy; J. Phys. Chem. B, 2012,116 (35), pp 10870–10875
• Zayats V., Samad A., Minofar B., Roelofs K., Stockner T., Ettrich R.; (2012) Regulation of the transient receptor potential channel TRPA1 by itsN-terminal ankyrin repeat domain. Journal of Molecular Modeling, online 3.7.2012, DOI:10.1007/s00894-012-1505-1
• Song X., Hamano H., Minofar B., Kanzaki R., Fujii K., Kameda Y. Kohara, Watanabe M., Ishiguro S., Umebayashi Y.; Structural Heterogeneity and Unique Distorted Hydrogen Bonding in Primary Ammonium Nitrate Ionic Liquids Studied by High-Energy X-ray Diffraction Experiments and MD Simulations. Journal of Physical Chemistry B,2012, 116(9) 2801- 2813
•  Jan Olsina, Milan Durchan, Babak Minofar, Tomas Polivka, Tomas Mancal, Absorption Spectra of Astaxanthin Aggregates,  arXiv:1208.4958 (2012) [physics.chem-ph]
• Khabiri M., Minofar B., Brezovský J., Damborský J., Ettrich R.; Interaction of Organic Solvents with Protein Structures at Protein Solvent Interface J. Mol. Model. (2013) 19: 4701. doi.org/10.1007/s00894-012-1507-z 2) 27.  
• Reshak AH., Kamarudin H., Auluck. S, Minofar B., Kityk I.; Electronic structure, chemical bonding features, and electron charge density of the double-cubane single crystal [Sb(7)S(8)Br(2)](AlCl(4))(3); Appl. Phys. Lett.98, 201903 (2011); doi:10.1063/1.3583674
• Umebayashi, Y; Harnano, H;Seki, S.; Minofar, B.; Fujii, K; Hayamizu, K ; Tsuzuki, S; meda,Y.;Kohara, S;Watanabe, M; Liquid Structure of and Li(+) Ion Solvation in Bis(trifluoromethanesulfonyl)amide Based Ionic Liquids Composed of 1-Ethyl-3-methylimidazolium and N-Methyl-N-propylpyrrolidinium Cations; Journal of Physical Chemistry B;15; 42;12179-12191
• Takeuchi M., Matubayasi N., Kameda Y., Minofar B., Umebayashi Y., Ishiguro S.; Free-energy and structural analysis of ion solvation and contact ion pair formation of Li+ with BF4– and PF6– in water and carbonate solvents. J. Phys. Chem. B,2012, 116 (22), pp 6476–6487
• Štepankova, V. , Khabiri, M. , Brezovsky, J. , Pavelka, A. , Sykora, J. , Amaro, M. , Minofar, B. , Prokop, Z. , Hof, M. , Ettrich, R. , Chaloupkova, R. and Damborsky, J. (2013), Expansion of Access Tunnels and Active‐Site Cavities Influence Activity of Haloalkane Dehalogenases in Organic Cosolvents. ChemBioChem, 14: 890-897. doi:10.1002/cbic.201200733
•  Chen X., Minofar, B., Jungwirth, P., Allen H., Interfacial Molecular Organization at Aqueous Solution Surfaces of Atmospherically Relevant Dimethylsulfoxide and Methane Sulfonic Acid using Sum Frequency Spectroscopy and Molecular Dynamics Simulations. Journal of Physical Chemistry B 114(2010) 15546
• Samad A., Sura L.,Benedikt J.,Ettrich R., Minofar B., Teisinger J., Vlachova V. (2010) The C-terminal basic residuescontribute to the chemical voltage-dependent activation of TRPA, Biochemical Journal,doi: 10.1042/BJ20101256.
•  Y. Liu; Y. Desyaterik; B. Minofar; Z. Zhu; E. Dames; H. Wang; P. Jungwirth; A. Laskin. Internal Structure, Hygroscopic and Reactive Properties of Mixed Sodium Methanesulfonate - Sodium Chloride Particles. Phys. Chem. Chem. Phys., 2011,3, 11846-11857
• Lauw, Y.; Horne, M. D.; Rodopoulos, T.; Webster, N. A. S.; Minofar, B.; Nelson, A. X-Ray reflectometry studies on the effect of water on the surface structure of [C(4)mpyr][NTf2] ionic liquid; Phys. Chem. Chem. Phys., 2009,11, 11507 – 11514
• Kandice Harper, Babak Minofar, M. Roxana Sierra Hernandez, Nadia N. Casillas-Ituarte, Martina Roeselova, Heather C. Allen; Surface residence and uptake of methyl chloride and methyl alcohol at the air/water interface studied by vibrational sum frequency spectroscopy and molecular dynamics. Journal of Physical Chemistry A, 113 (2009) 2015
• Mahiuddin, S.; Minofar, B.; Borah, J. M.; Das, M. R.; Jungwirth, P.: Propensities of Oxalic, Citric, Succinic, and Maleic Acids for the Aqueous Solution/Vapour Interface: Surface Tension Measurements and Molecular Dynamics Simulations. Chemical Physics Letters, 462 (2008) 217-221
• Picalek, J.; Minofar, B.; Kolafa, J.; Jungwirth, P.: Aqueous solutions of ionic liquids: Study of the solution/vapor interface using molecular dynamics simulations. Physical Chemistry Chemical Physics, 10 (2008) 5765.
•  Minofar, B.; Jungwirth, P.; Das, M. R.; Kunz, W.; Mahiuddin, S.: Jungwirth, P.: Propensity of Formate, Acetate, Benzoate, and Phenolate for the Aqueous Solution/Vapour Interface: Surface Tension Measurements and Molecular Dynamics Simulations. Journal of Physical Chemistry C, 111 (2007) 8242
• Minofar, B.; Vacha, R.; Wahab, A.; Mahiuddin, S.; Kunz, W.; Jungwirth, P.: Propensity for the air/water interface and ion pairing in magnesium acetate vs. magnesium nitrate solutions: Molecular dynamics simulations and surface tension measurements. Journal of Physical Chemistry B, 110 (2006) 15939
• Wang, X.-B.; Woo, H.-K.; Wang, L.-S.; Minofar, B.; Jugwirth, P.: Determination of the Electron Affinity of the Acetyloxyl Radical (CH3COO) by Low Temperature Anion Photoelectron Spectroscopy and ab initio Calculations. Journal of Physical Chemistry A, 110 (2006) 5047
• Petrov, M.; Minofar, B.; Vrbka, L.; Jugwirth, P.; Koelsch, P.; Motschmann, H.: Aqueous ionic and complementary zwitterionic soluble surfactants: Molecular dynamics simulations and sum frequency generation spectroscopy of the surfaces. Langmuir, 22 (2006) 2498
• Wahab, A.; Mahiuddin, S.; Hefter, G.; Kunz, W.; Minofar, B.; Jungwirth, P.: Ultrasonic velocities, densities, viscosities, electrical conductivities, Raman spectra, and molecular dynamics simulations of aqueous solutions of Mg(OAc)₂ and Mg(NO₃)₂: Hofmeister effects and ion pair formation. Journal of Physical Chemistry B, 109 (2005) 24108
• Minofar, B.; Vrbka, L.; Mucha, M.; Jungwirth, P.; Yang, X.; Wang, X.-B.; Fu, Y.-J.; Wang, L.-S.: Interior and Interfacial Aqueous Solvation of Benzene Dicarboxylate Dianions and Their Methylated Analogues: A Combined Molecular Dynamics and Photoelectron Spectroscopy Study. Journal of Physical Chemistry A, 109 (2005) 5042
• Minofar, B.; Mucha, M.; Jungwirth, P.; Yang, X.; Fu, Y.-J.; Wang, X.-B.; Wang, L.-S.: Bulk vs. Interfacial Aqueous Solvation of Dicarboxylate Dianions. Journal of the American Chemical Society, 126 (2004) 11691
•  Vrbka, L.; Mucha, M.; Minofar, B.; Jungwirth, P.; Brown, E. C.; Tobias, D. J.: Propensity of Soft Ions for the Air/Water Interface. Current Opinion in Interface and Colloid Science, 9 (2004) 67-73