Search Results - "Pánek, J."

Chalcogen Bond as a Factor Stabilizing Ligand Conformation in the Binding Pocket of Carbonic Anhydrase IX Receptor Mimic by Wojtkowiak, Kamil, Michalczyk, Mariusz, Zierkiewicz, Wiktor, Jezierska, Aneta, Panek, Jarosław J

“…It is postulated that the overexpression of Carbonic Anhydrase isozyme IX in some cancers contributes to the acidification of the extracellular matrix. It was…”
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Revealing Intra- and Intermolecular Interactions Determining Physico-Chemical Features of Selected Quinolone Carboxylic Acid Derivatives by Wojtkowiak, Kamil, Jezierska, Aneta, Panek, Jarosław J

“…The intra- and intermolecular interactions of selected quinolone carboxylic acid derivatives were studied in monomers, dimers and crystals. The investigated…”
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Very Strong Hydrogen Bond in Nitrophthalic Cocrystals by Jóźwiak, Kinga, Jezierska, Aneta, Panek, Jarosław J, Kochel, Andrzej, Łydżba-Kopczyńska, Barbara, Filarowski, Aleksander

“…This work presents the studies of a very strong hydrogen bond (VSHB) in biologically active phthalic acids. Research on VSHB comes topical due to its…”
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Static and Dynamical Quantum Studies of CX3-AlX2 and CSiX3-BX2 (X = F, Cl, Br) Complexes with Hydrocyanic Acid: Unusual Behavior of Strong π-Hole at Triel Center by Michalczyk, Mariusz, Wojtkowiak, Kamil, Panek, Jarosław J., Jezierska, Aneta, Zierkiewicz, Wiktor

“…The set of TX3-TrX2 (T = C, Si, Ge; Tr = B, Al, Ga; X = F, Cl, Br) molecules offers a rather unique opportunity to study both σ-hole and π-hole dimerization on…”
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Naphthazarin Derivatives in the Light of Intra- and Intermolecular Forces by Kułacz, Karol, Pocheć, Michał, Jezierska, Aneta, Panek, Jarosław J.

“…Our long-term investigations have been devoted the characterization of intramolecular hydrogen bonds in cyclic compounds. Our previous work covers…”
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Unraveling the Nature of Hydrogen Bonds of "Proton Sponges" Based on Car-Parrinello and Metadynamics Approaches by Kizior, Beata, Michalczyk, Mariusz, Panek, Jarosław J, Zierkiewicz, Wiktor, Jezierska, Aneta

“…The nature of intra- and intermolecular non-covalent interactions was studied in four naphthalene derivatives commonly referred to as "proton sponges". Special…”
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Competition of Intra- and Intermolecular Forces in Anthraquinone and Its Selected Derivatives by Raczyński, Kamil, Pihut, Andrzej, Panek, Jarosław J, Jezierska, Aneta

“…Intra- and intermolecular forces competition was investigated in the 9,10-anthraquinone ( ) and its derivatives both in vacuo and in the crystalline phase. The…”
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Exploring Intra- and Intermolecular Interactions in Selected N -Oxides-The Role of Hydrogen Bonds by Jezierska, Aneta, Panek, Jarosław J, Błaziak, Kacper, Raczyński, Kamil, Koll, Aleksander

“…Intra- and intermolecular interactions have been explored in selected -oxide derivatives: 2-(N,N-dimethylamino-N-oxymethyl)-4,6-dimethylphenyl ( ) and…”
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How Substitution Combines with Non-Covalent Interactions to Modulate 1,4-Naphthoquinone and Its Derivatives Molecular Features—Multifactor Studies by Pocheć, Michał, Kułacz, Karol, Panek, Jarosław J., Jezierska, Aneta

“…Substitution is well-known to modulate the physico-chemical properties of molecules. In this study, a combined, multifactor approach was employed to determine…”
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Inter- vs. Intra-Molecular Hydrogen Bond in Complexes of Nitrophthalic Acids with Pyridine by Jóźwiak, Kinga, Jezierska, Aneta, Panek, Jarosław J, Kochel, Andrzej, Filarowski, Aleksander

“…This study covers the analysis of isomeric forms of nitrophthalic acids with pyridine. This work dwells on the complementary experimental (X-ray, IR and Raman)…”
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Comprehensive Empirical Model of Substitution—Influence on Hydrogen Bonding in Aromatic Schiff Bases by Krupka, Katarzyna M., Pocheć, Michał, Panek, Jarosław J., Jezierska, Aneta

“…In this work, over 500 structures of tri-ring aromatic Schiff bases with different substitution patterns were investigated to develop a unified description of…”
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Winter wheat Federer by Laml, P, Panek, J

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Renewed spectroscopic and theoretical research of hydrogen bonding in ascorbic acid by Jóźwiak, Kinga, Jezierska, Aneta, Panek, Jarosław J., Łydżba-Kopczyńska, Barbara, Filarowski, Aleksander

“…[Display omitted] •The renewed and corrected interpretations of experimental vibrational spectra and hydrogen bonds in the L- and D-iso ascorbic acids.•The…”
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Non-Covalent Forces in Naphthazarin—Cooperativity or Competition in the Light of Theoretical Approaches by Jezierska, Aneta, Błaziak, Kacper, Klahm, Sebastian, Lüchow, Arne, Panek, Jarosław J.

“…Non-covalent interactions responsible for molecular features and self-assembly in Naphthazarin C polymorph were investigated on the basis of diverse…”
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Intermolecular Interactions and Spectroscopic Signatures of the Hydrogen-Bonded System-n-Octanol in Experimental and Theoretical Studies by Pocheć, Michał, Krupka, Katarzyna M, Panek, Jarosław J, Orzechowski, Kazimierz, Jezierska, Aneta

“…n-Octanol is the object of experimental and theoretical study of spectroscopic signatures and intermolecular interactions. The FTIR measurements were carried…”
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Inside out Approach to Rotator State in Hydrogen-Bonded System-Experimental and Theoretical Cross-Examination in n-Octanol by Pocheć, Michał, Krupka, Katarzyna M, Panek, Jarosław J, Orzechowski, Kazimierz, Jezierska, Aneta

“…The experimental and theoretical description of premelting behavior is one of the most challenging tasks in contemporary material science. In this paper,…”
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Antioxidant Properties of 2‑Hydroxyethyl Methacrylate-Based Copolymers with Incorporated Sterically Hindered Amine by Poláková, L, Raus, V, Kostka, L, Braunová, A, Pilař, J, Lobaz, V, Pánek, J, Sedláková, Z

“…A series of model linear copolymers of 2-hydroxyethyl methacrylate (HEMA) and a sterically hindered amine derivative…”
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Interactions between Artificial Channel Protein, Water Molecules, and Ions Based on Theoretical Approaches by Wojtkowiak, Kamil, Jezierska, Aneta, Panek, Jarosław J.

“…Contemporary techniques of molecular modeling allow for rational design of several specific classes of artificial proteins. Transmembrane channels are among…”
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Inter- vs. Intramolecular Hydrogen Bond Patterns and Proton Dynamics in Nitrophthalic Acid Associates by Jóźwiak, Kinga, Jezierska, Aneta, Panek, Jarosław J, Goremychkin, Eugene A, Tolstoy, Peter M, Shenderovich, Ilya G, Filarowski, Aleksander

“…Noncovalent interactions are among the main tools of molecular engineering. Rational molecular design requires knowledge about a result of interplay between…”
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Biological Evaluation and Molecular Docking Studies of Novel 1,3,4-Oxadiazole Derivatives of 4,6-Dimethyl-2-sulfanylpyridine-3-carboxamide by Świątek, Piotr, Glomb, Teresa, Dobosz, Agnieszka, Gębarowski, Tomasz, Wojtkowiak, Kamil, Jezierska, Aneta, Panek, Jarosław J, Świątek, Małgorzata, Strzelecka, Małgorzata

“…To date, chronic inflammation is involved in most main human pathologies such as cancer, and autoimmune, cardiovascular or neurodegenerative disorders. Studies…”
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