Works by Kastner, Johannes

Results: 98

Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 52, p. 1, doi. 10.1002/chem.202301818

By:

Kundu, Koushani;
Musso, Janis V.;
Benedikter, Mathis J.;
Frey, Wolfgang;
Gugeler, Katrin;
Kästner, Johannes;
Buchmeiser, Michael R.

Publication type:

Article

A Non Expected Alternative Ni(0) Species in the Ni‐Catalytic Aldehyde and Alcohol Arylation Reactions Facilitated by a 1,5‐Diaza‐3,7‐diphosphacyclooctane Ligand.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 28, p. 1, doi. 10.1002/chem.202300193

By:

Heitkämper, Juliane;
Posada‐Pérez, Sergio;
Escayola, Sílvia;
Solà, Miquel;
Kästner, Johannes;
Poater, Albert

Publication type:

Article

Corrigendum: Quantitative Distinction between Noble Metals Located in Mesopores from those on the External Surface.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 19, p. 1, doi. 10.1002/chem.202200729

By:

Rieg, Carolin;
Dittmann, Daniel;
Li, Zheng;
Lawitzki, Robert;
Gugeler, Katrin;
Maier, Sarah;
Schmitz, Guido;
Kästner, Johannes;
Estes, Deven P.;
Dyballa, Michael

Publication type:

Article

Frontispiece: Interplay of Polarity and Confinement in Asymmetric Catalysis with Chiral Rh Diene Complexes in Microemulsions.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 68, p. 1, doi. 10.1002/chem.202186862

By:

Kirchhof, Manuel;
Abitaev, Karina;
Abouhaileh, Abdulwahab;
Gugeler, Katrin;
Frey, Wolfgang;
Zens, Anna;
Kästner, Johannes;
Sottmann, Thomas;
Laschat, Sabine

Publication type:

Article

Interplay of Polarity and Confinement in Asymmetric Catalysis with Chiral Rh Diene Complexes in Microemulsions.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 68, p. 16853, doi. 10.1002/chem.202102752

By:

Kirchhof, Manuel;
Abitaev, Karina;
Abouhaileh, Abdulwahab;
Gugeler, Katrin;
Frey, Wolfgang;
Zens, Anna;
Kästner, Johannes;
Sottmann, Thomas;
Laschat, Sabine

Publication type:

Article

Quantitative Distinction between Noble Metals Located in Mesopores from Those on the External Surface.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 68, p. 17012, doi. 10.1002/chem.202102076

By:

Rieg, Carolin;
Dittmann, Daniel;
Li, Zheng;
Lawitzki, Robert;
Gugeler, Katrin;
Maier, Sarah;
Schmitz, Guido;
Kästner, Johannes;
Estes, Deven P.;
Dyballa, Michael

Publication type:

Article

Der Tunneleffekt von Atomen in der Chemie.

Published in:

Angewandte Chemie, 2016, v. 128, n. 18, p. 5488, doi. 10.1002/ange.201511028

By:

Meisner, Jan;
Kästner, Johannes

Publication type:

Article

QM/MM-Simulationen ergeben synergetische Substrat- und Sauerstoffaktivierung in Salicylat-Dioxygenase.

Published in:

Angewandte Chemie, 2016, v. 128, n. 3, p. 1182, doi. 10.1002/ange.201506363

By:

Roy, Subhendu;
Kästner, Johannes

Publication type:

Article

Zu den stabilisierenden Effekten in Carbengoldkomplexen.

Published in:

Angewandte Chemie, 2015, v. 127, n. 35, p. 10477, doi. 10.1002/ange.201412401

By:

Nunes dos Santos Comprido, Laura;
Klein, Johannes E. M. N.;
Knizia, Gerald;
Kästner, Johannes;
Hashmi, A. Stephen K.

Publication type:

Article

A Tale of 7 Elements. Von Eric Scerri.

Published in:

Angewandte Chemie, 2014, v. 126, n. 10, p. 2572, doi. 10.1002/ange.201310155

By:

Kästner, Andrea;
Kästner, Johannes

Publication type:

Article

Hybrid Coronary Percutaneous Treatment with Metallic Stents and Everolimus-Eluting Bioresorbable Vascular Scaffolds: 2-Years Results from the GABI-R Registry.

Published in:

Journal of Clinical Medicine, 2019, v. 8, n. 6, p. 767, doi. 10.3390/jcm8060767

By:

Gori, Tommaso;
Achenbach, Stephan;
Riemer, Thomas;
Mehilli, Julinda;
Nef, Holger M.;
Naber, Christoph;
Richardt, Gert;
Wöhrle, Jochen;
Zahn, Ralf;
Neumann, Till;
Kastner, Johannes;
Schmermund, Axel;
Hamm, Christian;
Münzel, Thomas

Publication type:

Article

Transcatheter aortic valve replacement (TAVR) leads to an increase in the subendocardial viability ratio assessed by pulse wave analysis.

Published in:

PLoS ONE, 2018, v. 13, n. 11, p. 1, doi. 10.1371/journal.pone.0207537

By:

Müller, Claudia;
Goliasch, Georg;
Schachinger, Stefan;
Kastl, Stefan;
Neunteufl, Thomas;
Delle-Karth, Georg;
Kastner, Johannes;
Gyöngyösi, Mariann;
Lang, Irene;
Gottsauner-Wolf, Michael;
Pavo, Noemi

Publication type:

Article

N2 Binding to the FeMo-Cofactor of Nitrogenase.

Published in:

Zeitschrift für Anorganische und Allgemeine Chemie, 2015, v. 641, n. 1, p. 118, doi. 10.1002/zaac.201400114

By:

Hallmen, Philipp P.;
Kästner, Johannes

Publication type:

Article

Asymmetric Carboxycyanation of Aldehydes by Cooperative AlF/Onium Salt Catalysts: from Cyanoformate to KCN as Cyanide Source.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 6, p. 1515, doi. 10.1002/chem.201804388

By:

Brodbeck, Daniel;
Álvarez‐Barcia, Sonia;
Meisner, Jan;
Broghammer, Florian;
Klepp, Julian;
Garnier, Delphine;
Frey, Wolfgang;
Kästner, Johannes;
Peters, René

Publication type:

Article

C(sp3)−H Bond Activation by Vinylidene Gold(I) Complexes: A Concerted Asynchronous or Stepwise Process?

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 63, p. 16097, doi. 10.1002/chem.201703815

By:

Klein, Johannes E. M. N.;
Knizia, Gerald;
Nunes dos Santos Comprido, Laura;
Kästner, Johannes;
Hashmi, A. Stephen K.

Publication type:

Article

High Oxidation State Molybdenum N-Heterocyclic Carbene Alkylidyne Complexes: Synthesis, Mechanistic Studies, and Reactivity.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 61, p. 15484, doi. 10.1002/chem.201703313

By:

Koy, Maximilian;
Elser, Iris;
Meisner, Jan;
Frey, Wolfgang;
Wurst, Klaus;
Kästner, Johannes;
Buchmeiser, Michael R.

Publication type:

Article

On the Accessible Reaction Channels of Vinyl Gold(I) Species: π- and σ-Pathways.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 45, p. 10901, doi. 10.1002/chem.201702023

By:

Nunes dos Santos Comprido, Laura;
Klein, Johannes E. M. N.;
Knizia, Gerald;
Kästner, Johannes;
Hashmi, A. Stephen K.

Publication type:

Article

Catalytic Mechanism of Salicylate Dioxygenase: QM/MM Simulations Reveal the Origin of Unexpected Regioselectivity of the Ring Cleavage.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 37, p. 8949, doi. 10.1002/chem.201701286

By:

Roy, Subhendu;
Kästner, Johannes

Publication type:

Article

Gold(I) Vinylidene Complexes as Reactive Intermediates and Their Tendency to π-Backbond.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 9, p. 2892, doi. 10.1002/chem.201504511

By:

Nunes dos Santos Comprido, Laura;
Klein, Johannes E. M. N.;
Knizia, Gerald;
Kästner, Johannes;
Hashmi, A. Stephen K.

Publication type:

Article

The ribosome catalyzes peptide bond formation by providing high ionic strength.

Published in:

Molecular Physics, 2010, v. 108, n. 3/4, p. 293, doi. 10.1080/00268970903446764

By:

Kastner, Johannes;
Sherwood, Paul

Publication type:

Article

Fe or FeNO Catalysis? A Quantum Chemical Investigation of the [Fe(CO)3(NO)]−-Catalyzed Cloke-Wilson Rearrangement.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 24, p. 7254, doi. 10.1002/chem.201402716

By:

Klein, Johannes E. M. N.;
Knizia, Gerald;
Miehlich, Burkhard;
Kästner, Johannes;
Plietker, Bernd

Publication type:

Article

Path Length Determines the Tunneling Decay of Substituted Carbenes.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 25, p. 8207, doi. 10.1002/chem.201203651

By:

Kästner, Johannes

Publication type:

Article

Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials.

Published in:

NPJ Computational Materials, 2024, v. 10, n. 1, p. 1, doi. 10.1038/s41524-024-01254-1

By:

Zaverkin, Viktor;
Holzmüller, David;
Christiansen, Henrik;
Errica, Federico;
Alesiani, Francesco;
Takamoto, Makoto;
Niepert, Mathias;
Kästner, Johannes

Publication type:

Article

The unexpected crystal structure of thallium(I) tricyanomethanide Tl[C(CN)3].

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2022, v. 77, n. 4/5, p. 237, doi. 10.1515/znb-2022-0006

By:

Reckeweg, Olaf;
Lissner, Falk;
Heitkämper, Juliane;
Kästner, Johannes;
Schleid, Thomas

Publication type:

Article

Theoretische Chemie 2010.

Published in:

Nachrichten aus der Chemie, 2011, v. 59, n. 3, p. 284, doi. 10.1002/nadc.201176379

By:

Auer, Alexander;
Kästner, Johannes;
Burghardt, Irene

Publication type:

Article

Free energy reaction root mapping of alanine tripeptide in water.

Published in:

Molecular Physics, 2019, v. 117, n. 17, p. 2284, doi. 10.1080/00268976.2018.1537525

By:

Mitsuta, Yuki;
Kästner, Johannes;
Yamanaka, Shusuke;
Kawakami, Takashi;
Okumura, Mitsutaka

Publication type:

Article

Oxo‐Bridged Zr Dimers as Well‐defined Models of Oxygen Vacancies on ZrO2.

Published in:

European Journal of Inorganic Chemistry, 2023, v. 26, n. 12, p. 1, doi. 10.1002/ejic.202200709

By:

Wimmer, Erik J.;
Klostermann, Sina V.;
Ringenberg, Mark;
Kästner, Johannes;
Estes, Deven P.

Publication type:

Article

Cooperative Lewis Acid‐1,2,3‐Triazolium‐Aryloxide Catalysis: Pyrazolone Addition to Nitroolefins as Entry to Diaminoamides.

Published in:

Angewandte Chemie International Edition, 2023, v. 62, n. 36, p. 1, doi. 10.1002/anie.202307317

By:

Wanner, Daniel M.;
Becker, Patrick M.;
Suhr, Simon;
Wannenmacher, Nick;
Ziegler, Slava;
Herrmann, Justin;
Willig, Felix;
Gabler, Julia;
Jangid, Khushbu;
Schmid, Juliane;
Hans, Andreas C.;
Frey, Wolfgang;
Sarkar, Biprajit;
Kästner, Johannes;
Peters, René

Publication type:

Article

A Practical and Robust Zwitterionic Cooperative Lewis Acid/Acetate/Benzimidazolium Catalyst for Direct 1,4‐Additions.

Published in:

Angewandte Chemie International Edition, 2023, v. 62, n. 13, p. 1, doi. 10.1002/anie.202217519

By:

Hans, Andreas C.;
Becker, Patrick M.;
Haußmann, Johanna;
Suhr, Simon;
Wanner, Daniel M.;
Lederer, Vera;
Willig, Felix;
Frey, Wolfgang;
Sarkar, Biprajit;
Kästner, Johannes;
Peters, René

Publication type:

Article

Performance of two complementary machine-learned potentials in modelling chemically complex systems.

Published in:

NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01073-w

By:

Gubaev, Konstantin;
Zaverkin, Viktor;
Srinivasan, Prashanth;
Duff, Andrew Ian;
Kästner, Johannes;
Grabowski, Blazej

Publication type:

Article

Ruthenium‐Catalyzed Secondary Amine Formation Studied by Density Functional Theory.

Published in:

ChemCatChem, 2021, v. 13, n. 5, p. 1383, doi. 10.1002/cctc.202001588

By:

Hückmann, Lukas;
Álvarez‐Barcia, Sonia;
Fuhrer, Marina;
Plietker, Bernd;
Kästner, Johannes

Publication type:

Article

Unraveling the Nature of the Catalytic Power of Fluoroacetate Dehalogenase.

Published in:

ChemCatChem, 2018, v. 10, n. 5, p. 1052, doi. 10.1002/cctc.201701517

By:

Miranda‐Rojas, Sebastián;
Fernández, Israel;
Kästner, Johannes;
Toro‐Labbé, Alejandro;
Mendizábal, Fernando

Publication type:

Article

Riociguat in pulmonary hypertension and heart failure with preserved ejection fraction: the haemoDYNAMIC trial.

Published in:

European Heart Journal, 2022, v. 43, n. 36, p. 3402, doi. 10.1093/eurheartj/ehac389

By:

Dachs, Theresa Marie;
Duca, Franz;
Rettl, René;
Binder-Rodriguez, Christina;
Dalos, Daniel;
Ligios, Luciana Camuz;
Kammerlander, Andreas;
Grünig, Ekkehard;
Pretsch, Ingrid;
Steringer-Mascherbauer, Regina;
Ablasser, Klemens;
Wargenau, Manfred;
Mascherbauer, Julia;
Lang, Irene M;
Hengstenberg, Christian;
Badr-Eslam, Roza;
Kastner, Johannes;
Bonderman, Diana

Publication type:

Article

Human Epidermal Growth Factor Receptor (EGFR) Aligned on the Plasma Membrane Adopts Key Features of Drosophila EGFR Asymmetry.

Published in:

Molecular & Cellular Biology, 2011, v. 31, n. 11, p. 2241, doi. 10.1128/MCB.01431-10

By:

Tynan, Christopher J.;
Roberts, Selene K.;
Rolfe, Daniel J.;
Clarke, David T.;
Loeffler, Hannes H.;
Kästner, Johannes;
Winn, Martyn D.;
Parker, Peter J.;
Martin-Fernandez, Marisa L.

Publication type:

Article

Reduction in 99mTc-DPD myocardial uptake with therapy of ATTR cardiomyopathy.

Published in:

Amyloid, 2024, v. 31, n. 1, p. 42, doi. 10.1080/13506129.2023.2247136

By:

Rettl, René;
Calabretta, Raffaella;
Duca, Franz;
Binder, Christina;
Kronberger, Christina;
Willixhofer, Robin;
Poledniczek, Michael;
Donà, Carolina;
Nitsche, Christian;
Beitzke, Dietrich;
Loewe, Christian;
Auer-Grumbach, Michaela;
Bonderman, Diana;
Kastl, Stefan;
Hengstenberg, Christian;
Badr Eslam, Roza;
Kastner, Johannes;
Bergler-Klein, Jutta;
Hacker, Marcus;
Kammerlander, Andreas

Publication type:

Article

Impact of tafamidis on myocardial strain in transthyretin amyloid cardiomyopathy.

Published in:

Amyloid, 2023, v. 30, n. 1, p. 127, doi. 10.1080/13506129.2022.2131385

By:

Rettl, René;
Duca, Franz;
Binder, Christina;
Dachs, Theresa-Marie;
Cherouny, Bernhard;
Camuz Ligios, Luciana;
Mann, Christopher;
Schrutka, Lore;
Dalos, Daniel;
Charwat-Resl, Silvia;
Badr Eslam, Roza;
Kastner, Johannes;
Bonderman, Diana

Publication type:

Article

Kooperative Lewis‐Säure‐1,2,3‐Triazolium‐Aryloxid‐Katalyse: Addition von Pyrazolonen an Nitroolefine als Zugang zu Diaminoamiden.

Published in:

Angewandte Chemie, 2023, v. 135, n. 36, p. 1, doi. 10.1002/ange.202307317

By:

Wanner, Daniel M.;
Becker, Patrick M.;
Suhr, Simon;
Wannenmacher, Nick;
Ziegler, Slava;
Herrmann, Justin;
Willig, Felix;
Gabler, Julia;
Jangid, Khushbu;
Schmid, Juliane;
Hans, Andreas C.;
Frey, Wolfgang;
Sarkar, Biprajit;
Kästner, Johannes;
Peters, René

Publication type:

Article

Ein praktikabler und robuster zwitterionischer kooperativer Lewis‐Säure‐/Acetat‐/Benzimidazolium‐Katalysator für direkte 1,4‐Additionen.

Published in:

Angewandte Chemie, 2023, v. 135, n. 13, p. 1, doi. 10.1002/ange.202217519

By:

Hans, Andreas C.;
Becker, Patrick M.;
Haußmann, Johanna;
Suhr, Simon;
Wanner, Daniel M.;
Lederer, Vera;
Willig, Felix;
Frey, Wolfgang;
Sarkar, Biprajit;
Kästner, Johannes;
Peters, René

Publication type:

Article

Status and Direction of Atom Probe Analysis of Frozen Liquids.

Published in:

Microscopy & Microanalysis, 2022, v. 28, n. 4, p. 1150, doi. 10.1017/S1431927621013994

By:

Stender, Patrick;
Gault, Baptiste;
Schwarz, Tim M.;
Woods, Eric V.;
Kim, Se-Ho;
Ott, Jonas;
Stephenson, Leigh T.;
Schmitz, Guido;
Freysoldt, Christoph;
Kästner, Johannes;
El-Zoka, Ayman A.

Publication type:

Article

Cover Feature: Redox−Acid/Base Phase Diagrams as an Entry to Computational Redox Chemistry (ChemElectroChem 20/2024).

Published in:

ChemElectroChem, 2024, v. 11, n. 20, p. 1, doi. 10.1002/celc.202482002

By:

Becker, Patrick M.;
Heinze, Katja;
Sarkar, Biprajit;
Kästner, Johannes

Publication type:

Article

Redox−Acid/Base Phase Diagrams as an Entry to Computational Redox Chemistry.

Published in:

ChemElectroChem, 2024, v. 11, n. 20, p. 1, doi. 10.1002/celc.202400301

By:

Becker, Patrick M.;
Heinze, Katja;
Sarkar, Biprajit;
Kästner, Johannes

Publication type:

Article

A Framework and Benchmark for Deep Batch Active Learning for Regression.

Published in:

Journal of Machine Learning Research, 2023, v. 24, p. 1

By:

Holzmüller, David;
Zaverkin, Viktor;
Kästner, Johannes;
Steinwart, Ingo

Publication type:

Article

Evolution of outcome and complications in TAVR: a meta-analysis of observational and randomized studies.

Published in:

Scientific Reports, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41598-020-72453-1

By:

Winter, Max-Paul;
Bartko, Philipp;
Hofer, Felix;
Zbiral, Martin;
Burger, Achim;
Ghanim, Bahil;
Kastner, Johannes;
Lang, Irene M.;
Mascherbauer, Julia;
Hengstenberg, Christian;
Goliasch, Georg

Publication type:

Article

Exploration of the Activation Mechanism of the Epigenetic Regulator MLL3: A QM/MM Study.

Published in:

Biomolecules (2218-273X), 2021, v. 11, n. 7, p. 1051, doi. 10.3390/biom11071051

By:

Miranda-Rojas, Sebastián;
Blanco-Esperguez, Kevin;
Tuñón, Iñaki;
Kästner, Johannes;
Mendizábal, Fernando

Publication type:

Article

Finite-temperature effects in enzymatic reactions — Insights from QM/MM free-energy simulations.

Published in:

Canadian Journal of Chemistry, 2009, v. 87, n. 10, p. 1322, doi. 10.1139/V09-092

By:

Senn, Hans Martin;
Kästner, Johannes;
Breidung, Jürgen;
Thiel, Walter

Publication type:

Article

Sulfur‐Composites Derived from Poly(acrylonitrile) and Poly(vinylacetylene) – A Comparative Study on the Role of Pyridinic and Thioamidic Nitrogen.

Published in:

Batteries & Supercaps, 2023, v. 6, n. 3, p. 1, doi. 10.1002/batt.202200522

By:

Kappler, Julian;
Klostermann, Sina V.;
Lange, Pia L.;
Dyballa, Michael;
Veith, Lothar;
Schleid, Thomas;
Weil, Tanja;
Kästner, Johannes;
Buchmeiser, Michael R.

Publication type:

Article

Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide.

Published in:

NPJ Computational Materials, 2020, v. 6, n. 1, p. 1, doi. 10.1038/s41524-020-0323-8

By:

Cooper, April M.;
Kästner, Johannes;
Urban, Alexander;
Artrith, Nongnuch

Publication type:

Article

Prognostic implication of DPD quantification in transthyretin cardiac amyloidosis.

Published in:

European Heart Journal - Cardiovascular Imaging, 2025, v. 26, n. 2, p. 251, doi. 10.1093/ehjci/jeae295

By:

Rettl, René;
Duca, Franz;
Kronberger, Christina;
Binder, Christina;
Willixhofer, Robin;
Ermolaev, Nikita;
Poledniczek, Michael;
Hofer, Felix;
Nitsche, Christian;
Hengstenberg, Christian;
Eslam, Roza Badr;
Kastner, Johannes;
Bergler-Klein, Jutta;
Hacker, Marcus;
Calabretta, Raffaella;
Kammerlander, Andreas A

Publication type:

Article

Myocardial structural and functional changes in cardiac amyloidosis: insights from a prospective observational patient registry.

Published in:

European Heart Journal - Cardiovascular Imaging, 2024, v. 25, n. 1, p. 95, doi. 10.1093/ehjci/jead188

By:

Duca, Franz;
Rettl, René;
Kronberger, Christina;
Binder, Christina;
Mann, Christopher;
Dusik, Fabian;
Schrutka, Lore;
Dalos, Daniel;
Öztürk, Begüm;
Dachs, Theresa Marie;
Cherouny, Bernhard;
Ligios, Luciana Camuz;
Agis, Hermine;
Kain, Renate;
Koschutnik, Matthias;
Donà, Carolina;
Badr-Eslam, Roza;
Kastner, Johannes;
Beitzke, Dietrich;
Loewe, Christian

Publication type:

Article

Monitoring tafamidis treatment with quantitative SPECT/CT in transthyretin amyloid cardiomyopathy.

Published in:

European Heart Journal - Cardiovascular Imaging, 2023, v. 24, n. 8, p. 1019, doi. 10.1093/ehjci/jead030

By:

Rettl, René;
Wollenweber, Tim;
Duca, Franz;
Binder, Christina;
Cherouny, Bernhard;
Dachs, Theresa-Marie;
Ligios, Luciana Camuz;
Schrutka, Lore;
Dalos, Daniel;
Beitzke, Dietrich;
Loewe, Christian;
Eslam, Roza Badr;
Kastner, Johannes;
Hacker, Marcus;
Bonderman, Diana

Publication type:

Article