Search Results - "Erdélyi, Mate"

NMReDATA: Tools and applications by Kuhn, Stefan, Wieske, Lianne H. E., Trevorrow, Paul, Schober, Daniel, Schlörer, Nils E., Nuzillard, Jean‐Marc, Kessler, Pavel, Junker, Jochen, Herráez, Angel, Farès, Christophe, Erdélyi, Mate, Jeannerat, Damien

“…The nuclear magnetic resonance extracted data (NMReDATA) format has been proposed as a way to store, exchange, and disseminate nuclear magnetic resonance (NMR)…”
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Halogen bonding in solution by Erdélyi, Máté

“…Halogen bonding is the electron density donation based weak interaction of halogens with Lewis bases. Its applicability for molecular recognition processes…”
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Application of the Halogen Bond in Protein Systems by Erdelyi, Mate

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Halogen bonding in solution: NMR spectroscopic approaches by von der Heiden, Daniel, Vanderkooy, Alan, Erdélyi, Máté

“…[Display omitted] •Halogen bonding in solution studied by NMR spectroscopic approaches.•The effect of halogen substituents on NMR observables.•Distinguishing…”
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Pushing the Limits of Characterising a Weak Halogen Bond in Solution by Peintner, Stefan, Erdélyi, Máté

“…Detection and characterisation of very weak, non‐covalent interactions in solution is inherently challenging. Low affinity, short complex lifetime and a…”
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Solution Conformations Explain the Chameleonic Behaviour of Macrocyclic Drugs by Danelius, Emma, Poongavanam, Vasanthanathan, Peintner, Stefan, Wieske, Lianne H. E., Erdélyi, Máté, Kihlberg, Jan

“…It has been hypothesised that drugs in the chemical space “beyond the rule of 5” (bRo5) must behave as molecular chameleons to combine otherwise conflicting…”
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Linker-Dependent Folding Rationalizes PROTAC Cell Permeability br by Poongavanam, Vasanthanathan, Atilaw, Yoseph, Siegel, Stephan, Giese, Anja, Lehmann, Lutz, Meibom, Daniel, Erdélyi, Máté, Kihlberg, Jan

“…Proteolysis-targeting chimeras (PROTACs) must be cell permeable to reach their target proteins. This is challenging as the bivalent structure of PROTACs puts…”
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Probing Halogen Bonds by Scalar Couplings by Jimmink, Bono, Sethio, Daniel, Turunen, Lotta, von der Heiden, Daniel, Erdélyi, Máté

“…As halogen bonding is a weak, transient interaction, its description in solution is challenging. We demonstrate that scalar coupling constants (J) are…”
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Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical Shifts by Sethio, Daniel, Raggi, Gerardo, Lindh, Roland, Erdélyi, Máté

“…Because of their anisotropic electron distribution and electron deficiency, halonium ions are unusually strong halogen-bond donors that form strong and…”
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Sulfur Oxidation Increases the Rate of HIRE-Type [1.4]Thiazepinone Ring Expansion and Influences the Conformation of a Medium-Sized Heterocyclic Scaffold by Reutskaya, Elena, Sapegin, Alexander, Peintner, Stefan, Erdélyi, Máté, Krasavin, Mikhail

“…The hydrated imidazoline ring expansion (HIRE-type) reaction was investigated for a series of di­(hetero)­arene-fused [1.4]­thiazepinones in comparison with…”
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Halogen Bond Asymmetry in Solution by Lindblad, Sofia, Mehmeti, Krenare, Veiga, Alberte X, Nekoueishahraki, Bijan, Gräfenstein, Jürgen, Erdélyi, Máté

“…Halogen bonding is the noncovalent interaction of halogen atoms in which they act as electron acceptors. Whereas three-center hydrogen bond complexes,…”
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Halogen Bonding: From Fundamentals to Applications by Erdélyi, Máté, Esterhuysen, Catharine, Zhu, Weiliang

“…Guest Editors Maté Erdélyi, Catharine Esterhuysen, and Weilang Zhu introduce the joint Special Collection on Halogen Bonding published by ChemPlusChem and The…”
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Solution Conformations Shed Light on PROTAC Cell Permeability by Atilaw, Yoseph, Poongavanam, Vasanthanathan, Svensson Nilsson, Caroline, Nguyen, Duy, Giese, Anja, Meibom, Daniel, Erdelyi, Mate, Kihlberg, Jan

“…Proteolysis targeting chimeras (PROTACs) induce intracellular degradation of target proteins. Their bifunctional structure puts degraders in a chemical space…”
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Carbon’s Three-Center, Four-Electron Tetrel Bond, Treated Experimentally by Karim, Alavi, Schulz, Nils, Andersson, Hanna, Nekoueishahraki, Bijan, Carlsson, Anna-Carin C, Sarabi, Daniel, Valkonen, Arto, Rissanen, Kari, Gräfenstein, Jürgen, Keller, Sandro, Erdélyi, Máté

“…Tetrel bonding is the noncovalent interaction of group IV elements with electron donors. It is a weak, directional interaction that resembles hydrogen and…”
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An Alternative Approach to the Hydrated Imidazoline Ring Expansion (HIRE) of Diarene‐Fused [1.4]Oxazepines by Grintsevich, Sergey, Sapegin, Alexander, Reutskaya, Elena, Peintner, Stefan, Erdélyi, Máté, Krasavin, Mikhail

“…A four‐step approach to the “hydrated imidazoline ring expansion” (HIRE) is presented. In most cases, the ring expansion was the sole process. However, for the…”
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Halogen bond symmetry: the N-X-N bond by Hakkert, Sebastiaan B., Erdélyi, Máté

“…Halogen bonding is the attractive interaction of an electrophilic region of a halogen with a nucleophile. Its geometry, energy, and dominantly electrostatic…”
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Halogen Bonds of Halogen(I) IonsWhere Are We and Where to Go? by Wieske, Lianne H. E., Erdelyi, Mate

“…Halenium ions, X+, are particularly strong halogen-bond donors that interact with two Lewis bases simultaneously to form linear [D···X···D]+-type halonium…”
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P,N-Chelated Gold(III) Complexes: Structure and Reactivity by Reiersølmoen, Ann Christin, Battaglia, Stefano, Orthaber, Andreas, Lindh, Roland, Erdélyi, Máté, Fiksdahl, Anne

“…Gold­(III) complexes are versatile catalysts offering a growing number of new synthetic transformations. Our current understanding of the mechanism of…”
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Halogen Bonding: An Odd Chemistry? by Turunen, Lotta, Hansen, Jørn H., Erdélyi, Máté

“…Halogen bonding is a flourishing field of research, but has for long been little recognized. The same goes for its scientific hero, Odd Hassel, who laid the…”
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Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne by Reiersølmoen, Ann Christin, Csókás, Dániel, Pápai, Imre, Fiksdahl, Anne, Erdélyi, Máté

“…Gold-mediated homogeneous catalysis is a powerful tool for construction of valuable molecules and has lately received growing attention. Whereas…”
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