What is isostructurality? Questions on the definition
P. Bombicz, IUCrJ (2024) 11, 1-2 The phenomenon and definition of isostructurality are discussed. It deserves reconsideration regarding the aspects of symmetry, measure of similarity and formation of supramolecular interactions. Investigation of isostructurality leads to a deeper understanding of closepackingprinciplesandcontributestotheabilityofcrystalengineering.Agiven packingmotifmay tolerate small molecular changes within a limit. Slight alterationsofacrystalpackingarrangementarecarriedoutinordertofine-tune thestructural andmacroscopicproperties, keepingthebalanceof thespatial [...]
Ring-Opening Metathesis Polymerization and Related Olefin Metathesis Reactions in Benzotrifluoride as an Environmentally Advantageous Medium
Ervin Kovács, Bence Balterer, Nguyen Anh Duc, Györgyi Szarka, Michael C. Owen, Attila Domján, and Béla Iván Int. J. Mol. Sci. 2023, 24(1), 671 Abstract A tremendous number of solvents, either as liquids or vapors, contaminate the environment on a daily basis worldwide. Olefin metathesis, which has been widely used [...]
Three Decades of REDOR in Protein Science: A Solid-State NMR Technique for Distance Measurement and Spectral Editing
Orsolya Tőke Int. J. Mol. Sci. 2023, 24(17), 13637 Abstract Solid-state NMR (ss-NMR) is a powerful tool to investigate noncrystallizable, poorly soluble molecular systems, such as membrane proteins, amyloids, and cell walls, in environments that closely resemble their physical sites of action. Rotational-echo double resonance (REDOR) is an ss-NMR methodology, [...]
Methods for easy recognition of isostructurality – lab jack-like crystal structures of halogenated 2-phenylbenzimidazoles
Petra Bombicz*, Nóra V. May, Dániel Fegyverneki, Avirmed Saranchimeg, Laura Bereczki*, Cryst. Eng. Comm. 2020,22, 7193-7203 DOI: 10.1039/d0ce00410c Invited article to the themed issue on using “The Cambridge Structural Database - A wealth of knowledge gained from a million structures” inside back cover page. Impact factor: 3.382 (2019) Abstract Tools [...]
Ligand entry in human ileal bile acid-binding protein is mediated by histidine protonation
Gergő Horváth, Orsolya Egyed, Changguo Tang, Mihály Kovács, András Micsonai, József Kardos, and Orsolya Tőke Sci Rep 9, 4825 (2019) Abstract Human ileal bile acid-binding protein (hI-BABP) has a key role in the intracellular transport of bile salts. To explore the role of histidine protonation in the binding process, the [...]