Search Results - "Szabo, Istvan"

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    Deciphering Front-Side Complex Formation in SN2 Reactions via Dynamics Mapping by Szabó, István, Olasz, Balázs, Czakó, Gábor

    Published in The journal of physical chemistry letters (06-07-2017)
    “…Due to their importance in organic chemistry, the atomistic understanding of bimolecular nucleophilic substitution (SN2) reactions shows exponentially growing…”
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    Journal Article
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    Benchmark ab Initio Characterization of the Complex Potential Energy Surface of the Cl– + CH3I Reaction by Szabó, István, Czakó, Gábor

    “…Benchmark stationary-point structures, vibrational frequencies, and classical/adiabatic relative energies (kcal/mol) are reported for the Cl– + CH3I reaction…”
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    Chiral separation of lansoprazole and rabeprazole by capillary electrophoresis using dual cyclodextrin systems by Papp, Lajos Attila, Hancu, Gabriel, Gyéresi, Árpád, Kelemen, Hajnal, Szabó, Zoltán‐István, Noszál, Béla, Dubský, Pavel, Tóth, Gergő

    Published in Electrophoresis (01-11-2019)
    “…Novel capillary electrophoresis methods using CDs as chiral selectors were developed and validated for the chiral separation of lansoprazole and rabeprazole,…”
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    Chiral separation of rasagiline using sulfobutylether‐β‐cyclodextrin: capillary electrophoresis, NMR and molecular modeling study by Szabó, Zoltán‐István, Ludmerczki, Róbert, Fiser, Béla, Noszál, Béla, Tóth, Gergő

    Published in Electrophoresis (01-08-2019)
    “…Pressure‐assisted stereospecific capillary electrophoresis method was developed for the determination of enantiomeric purity of the antiparkinsonian agent…”
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    New Trends in the Quality Control of Enantiomeric Drugs: Quality by Design-Compliant Development of Chiral Capillary Electrophoresis Methods by Orlandini, Serena, Hancu, Gabriel, Szabó, Zoltán-István, Modroiu, Adriana, Papp, Lajos-Attila, Gotti, Roberto, Furlanetto, Sandra

    Published in Molecules (Basel, Switzerland) (19-10-2022)
    “…Capillary electrophoresis (CE) is a potent method for analyzing chiral substances and is commonly used in the enantioseparation and chiral purity control of…”
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    Risk assessment of the cumulative acute exposure of Hungarian population to organophosphorus pesticide residues with regard to consumers of plant based foods by Zentai, Andrea, Szabó, István J., Kerekes, Kata, Ambrus, Árpád

    Published in Food and chemical toxicology (01-03-2016)
    “…Based on the Hungarian pesticide residues monitoring data of the last five years and the consumption data collected within a 3-day dietary record survey in…”
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    Mechanical loading stimulates chondrogenesis via the PKA/CREB-Sox9 and PP2A pathways in chicken micromass cultures by Juhász, Tamás, Matta, Csaba, Somogyi, Csilla, Katona, Éva, Takács, Roland, Soha, Rudolf Ferenc, Szabó, István A., Cserháti, Csaba, Sződy, Róbert, Karácsonyi, Zoltán, Bakó, Éva, Gergely, Pál, Zákány, Róza

    Published in Cellular signalling (01-03-2014)
    “…Biomechanical stimuli play important roles in the formation of articular cartilage during early foetal life, and optimal mechanical load is a crucial…”
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    Performance and Accuracy of Four Open-Source Tools for In Silico Serotyping of Salmonella spp. Based on Whole-Genome Short-Read Sequencing Data by Uelze, Laura, Borowiak, Maria, Deneke, Carlus, Szabó, István, Fischer, Jennie, Tausch, Simon H, Malorny, Burkhard

    Published in Applied and environmental microbiology (18-02-2020)
    “…We compared the performance of four open-source typing tools (SeqSero, SeqSero2, Typing Resource [SISTR], and Metric Oriented Sequence Typer [MOST]) to assess…”
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    High-level ab initio potential energy surface and dynamics of the F- + CH3I SN2 and proton-transfer reactions by Olasz, Balazs, Szabo, Istvan, Czako, Gabor

    Published in Chemical science (Cambridge) (01-04-2017)
    “…Bimolecular nucleophilic substitution (SN2) and proton transfer are fundamental processes in chemistry and F- + CH3I is an important prototype of these…”
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    Chiral separation of lenalidomide by liquid chromatography on polysaccharide‐type stationary phases and by capillary electrophoresis using cyclodextrin selectors by Szabó, Zoltán‐István, Foroughbakhshfasaei, Mohammadhassan, Gál, Réka, Horváth, Péter, Komjáti, Balázs, Noszál, Béla, Tóth, Gergő

    Published in Journal of separation science (01-03-2018)
    “…Complementary techniques were applied for the investigation of the chiral recognition and enantiomeric resolution of lenalidomide using various cyclodextrins…”
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    Journal Article
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    Research funding: past performance is a stronger predictor of future scientific output than reviewer scores by Győrffy, Balázs, Herman, Péter, Szabó, István

    Published in Journal of informetrics (01-08-2020)
    “…•Basic research grants significantly increase scientific performance.•Grant review scores have a low correlation with subsequent publication output in the…”
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    On the Choice of the Ab Initio Level of Theory for Potential Energy Surface Developments by Czakó, Gábor, Szabó, István, Telekes, Hajnalka

    “…We test the accuracy of various standard, explicitly correlated F12, and composite ab initio methods with different correlation consistent basis sets for…”
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    Comparative Chiral Separation of Thalidomide Class of Drugs Using Polysaccharide-Type Stationary Phases with Emphasis on Elution Order and Hysteresis in Polar Organic Mode by Foroughbakhshfasaei, Mohammadhassan, Dobó, Máté, Boda, Francisc, Szabó, Zoltán-István, Tóth, Gergő

    Published in Molecules (Basel, Switzerland) (24-12-2021)
    “…The enantioseparation of four phthalimide derivatives (thalidomide, pomalidomide, lenalidomide and apremilast) was investigated on five different…”
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    Enantiomeric quality control of R‐Tofisopam by HPLC using polysaccharide‐type chiral stationary phases in polar organic mode by Foroughbakhshfasaei, Mohammadhassan, Szabó, Zoltán‐István, Mirzahosseini, Arash, Horváth, Péter, Tóth, Gergő

    Published in Electrophoresis (01-10-2018)
    “…A novel, fast and economic chiral HPLC method was developed and validated for the resolution of the four isomers of tofisopam. The separation capacity of…”
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    Chiral Separation of Oxazolidinone Analogs by Capillary Electrophoresis Using Anionic Cyclodextrins as Chiral Selectors: Emphasis on Enantiomer Migration Order by Szabó, Zoltán-István, Boda, Francisc, Fiser, Béla, Dobó, Máté, Szőcs, Levente, Tóth, Gergő

    Published in Molecules (Basel, Switzerland) (02-06-2023)
    “…Comparative chiral separations of enantiomeric pairs of four oxazolidinone and two related thio-derivatives were performed by capillary electrophoresis, using…”
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    Enantioseparation and molecular docking study of selected chiral pharmaceuticals on a commercialized phenylcarbamate-β-cyclodextrin column using polar organic mode by Dobó, Máté, Ádám, Márk, Fiser, Béla, Papp, Lajos Attila, Dombi, Gergely, Sekkoum, Khaled, Szabó, Zoltán-István, Tóth, Gergő

    Published in Scientific reports (07-09-2023)
    “…The chiral separation capability of Chiral-CD-Ph column, containing phenylcarbamate-β-cyclodextrin as the chiral selector in polar organic mode was…”
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    Magnetic phase diagram of an Fe monolayer on W(110) and Ta(110) surfaces based on ab initio calculations by Rózsa, Levente, Udvardi, László, Szunyogh, László, Szabó, István A.

    “…We present detailed investigations of the magnetic properties of an Fe monolayer on W and Ta (110) surfaces based on the ab initio screened…”
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