Cover Gallery

Peer-Reviewed Publications



A. Turlik, K.N. Houk, D. Svatunek

Origin of Increased Reactivity in Rhenium-Mediated Cycloadditions of Tetrazines

Journal of Organic Chemistry (accepted), 2021




R. Garcia-Vazquez, U.M. Battisti, J.T. Jørgensen, V. Shalgunov, L. Hvass, D.L. Stares, I. Nymann Petersen, F. Crestey, A. Löffler, D. Svatunek, J.L. Kristensen, H. Mikula, A. Kjaer, M. Herth

Direct Aromatic 18F-Labeling of Highly Reactive Tetrazines for Pretargeted Bioorthogonal PET Imaging

Chemical Science, 2021, DOI: 10.1039/D1SC02789A


M. Ramirez, D. Svatunek, F. Liu, N.K. Garg, K.N. Houk

Origins of Endo Selectivity in Diels–Alder Reactions of Cyclic Allene Dienophiles

Angewandte Chemie International Edition (accepted), 2021, DOI: 10.1002/anie.202101809


L. De Pascalis, M. Yau, D. Svatunek, Z. Tan, S. Tekkam, K.N. Houk, M.G. Finn 

The Influence of Substitution on Thiol-Induced Oxanorbornadiene Fragmentation

Organic Letters, 2021, 23, 3751-3754


P. Chen, P. Ma, X. He, D. Svatunek, F Liu, K.N. Houk

Computational Exploration of Ambiphilic Reactivity of Azides and Sustmann’s Paradigmatic Parabola

The Journal of Organic Chemistry, 2021, 86, 5792-5804


J. Stéen, J.T. Jørgensen, C. Denk, U.M. Battisti, K. Nørregaard, P. Edem, K. Bratteby, V. Shalgunov, M. Wilkovitsch, D. Svatunek, C.B.M. Poulie, L. Hvass L, S Marina, T. Wanek, R. Rossin, M. Robillard, J.L. Kristensen, H. Mikula, A. Kjaer, M. Herth
Lipophilicity and Click Reactivity Determine the Performance of Bioorthogonal Tetrazine Tools in Pretargeted in Vivo Chemistry

ACS Pharmacology & Translational Science, 2021, 4, 824-833


D.Svatunek, T. Hansen, K.N. Houk, T.A. Hamlin
How the Lewis Base F– Catalyzes the 1,3-Dipolar Cycloaddition between Carbon Dioxide and Nitrilimines
The Journal of Organic Chemistry, 2021, 86, 4320-4325



I. Saha, E.K. Dang, D. Svatunek, K.N. Houk, P.G. Harran
Computational generation of an annotated gigalibrary of synthesizable, composite peptidic macrocycles
Proceedings of the National Academy of Sciences of the United States of America, 2020, 117, 24679-24690


K. Johann, D. Svatunek, C. Seidl, S. Rizzelli, T. Bauer, L. Braun, K. Koynov, H. Mikula, M. Barz
Tetrazine- and trans-Cyclooctene-functionalised Polypept(o)ides for Fast Bioorthogonal Tetrazine Ligation
Polymer Chemistry, 2020, 11, 4396-4407


V.B. Delchev, E. Horkel, D. Svatunek
Excited-state photocycodimerization of 6-azauracil to oxazetidine cyclodimer: A mechanism elucidation in water surroundings
Journal of Molecular Structure, 2020, 1205, 127571


D. Svatunek, R.P. Pemberton, J.L. Mackay, P. Liu, K.N. Houk 

Concerted [4+2] and Stepwise (2+2) Cycloadditions of Tetrafluoroethylene with Butadiene: DFT and DLPNO-UCCSD(T) Explorations

The Journal of Organic Chemistry, 2020, 85, 3858-3864


D. Svatunek, G. Eilenberger, C. Denk, D. Lumpi, C. Hametner, G. Allmaier, H. Mikula 
Live Monitoring of Strain‐Promoted Azide Alkyne Cycloadditions in Complex Reaction Environments by Inline ATR‐IR Spectroscopy

Chemistry – A European Journal, 2020, 26, 9851-9854


J. Tu, D. Svatunek, S. Parvez, H.J. Eckvahl, M. Xu, R. Peterson, K.N. Houk, R.M. Franzini 
Isonitrile-responsive and Bioorthogonally Removable Tetrazine Protecting Groups
Chemical Science, 2020, 11, 169-179

  • selected as Edge Article


E.J.L. Stéen, J.T. Jørgensen, K. Johann, K. Nørregaard, B. Sohr, D. Svatunek, A. Birke, V. Shalgunov, P.E. Edem, R. Rossin, C. Seidl, F. Schmid, M.S. Robillard, J.L. Kristensen, H. Mikula, M. Barz, A. Kjær, M.M. Herth
Trans-cyclooctene-functionalized PeptoBrushes with improved reaction kinetics of the tetrazine ligation for pretargeted nuclear imaging
ACS Nano, 2020, 14, 568-584



S. Kramer, D. Svatunek, I. Alberg, B. Gräfen, S. Schmitt, L. Braun, A.H.A.M. van Onzen, R. Rossin, K. Koynov, H. Mikula, R. Zentel
HPMA-Based Nanoparticles for Fast, Bioorthogonal iEDDA Ligation
Biomacromolecules, 2019, 20, 3786-3797


J. Weber, D. Svatunek, S. Krauter, G. Tegl, C. Hametner, P. Kosma, H. Mikula
2-O-Benzyloxycarbonyl protected glycosyl donors: a revival of carbonate-mediated anchimeric assistance for diastereoselective glycosylation
Chemical Communications, 2019, 55, 12543-12546


D. Svatunek, K.N. Houk
autoDIAS: A Python Tool for an Automated Distortion/Interaction Activation Strain Analysis

Journal of Computational Chemistry, 2019, 40, 2509-2515


J. Tu, D. Svatunek, S. Parvez, A.C. Liu, B.J. Levandowski, H.J. Eckvahl, R.T. Peterson, K.N. Houk, R.M. Franzini
Stable, Reactive and Orthogonal Tetrazines: Dispersion Forces Promote the Cycloaddition with Isonitriles
Angewandte Chemie International Edition, 2019, 58, 9043-9048


B.J. Levandowski,‡ D. Svatunek,‡ B. Sohr, H. Mikula, K.N. Houk
Secondary Orbital Interactions Enhance the Reactivity of Alkynes in Diels-Alder Cycloadditions

Journal of the American Chemical Society, 2019, 141, 2224-2227


D. Svatunek, N. Houszka, T.A. Hamlin, F.M. Bickelhaupt, H. Mikula
Chemoselectivity of Tertiary Azides in Strain‐Promoted Alkyne‐Azide Cycloadditions

Chemistry – A European Journal, 2019, 25, 754-758


top 10% most downloaded papers in European Journal of Organic Chemistry in the first 12 months after publication

T.A. Hamlin, D. Svatunek, S. Yu, L. Ridder, I. Infante, L. Visscher, F.M. Bickelhaupt
Elucidating the Trends in Reactivity of Aza‐1,3‐Dipolar Cycloadditions

European Journal of Organic Chemistry, 2019, 2-3, 378-386

  • Top Downloaded Article



top 10% most downloaded papers in ChemistryOpen in the first 12 months after publication

S. Yu, H.M. de Bruijn, D. Svatunek, T.A. Hamlin, F.M. Bickelhaupt
Factors Controlling the Diels–Alder Reactivity of Hetero‐1,3‐Butadienes

ChemistryOpen, 2018, 7, 995-1004

  • Top Downloaded Article


D. Svatunek, C. Denk, H. Mikula
A computational model to predict the Diels–Alder reactivity of aryl/alkyl-substituted tetrazines

Monatshefte für Chemie – Chemical Monthly, 2018, 149, 833


E.P. Yankov, R.I. Bakalska, E. Horkel, D. Svatunek, V.B. Delchev
Experimental and theoretical study of the excited-state tautomerism of 6-azauracil in water surroundings
Chemical Physics, 2018, 515, 663-671


S. Kronister, D. Svatunek, C. Denk, H. Mikula
Acylation-Mediated ‘Kinetic Turn-On’ of 3-Amino-1,2,4,5-tetrazines

Synlett, 2018, 29, 1297-1302




C. Denk, M. Wilkovitsch, P. Skrinjar, D. Svatunek, S. Mairinger, C. Kuntner, T. Filip, J. Fröhlich, T. Wanek, H. Mikula
[18F]Fluoroalkyl azides for rapid radiolabeling and (Re)investigation of their potential towards in vivo click chemistry
Organic and Biomolecular Chemistry, 2017, 15, 5976-5982



M. Wang, D. Svatunek, K. Rohlfing, Y. Liu, H. Wang, B. Giglio, H. Yuan, Z. Wu, Z. Li, J. Fox
Conformationally Strained trans-Cyclooctene (sTCO) Enables the Rapid Construction of 18F-PET Probes via Tetrazine Ligation
Theranostics, 2016, 6, 887-895


D. Svatunek, C. Denk, V. Rosecker, B. Sohr, C. Hametner, G. Allmaier, J. Fröhlich, H. Mikula
Efficient low-cost preparation of trans-cyclooctenes using a simplified flow setup for photoisomerization
Monatshefte für Chemie – Chemical Monthly, 2016, 147, 579–585

  • Young Scientists Best Paper Award - Springer/Nature


C. Denk, D. Svatunek, S. Mairinger, J. Stanek, T. Filip, D. Matscheko, J. Fröhlich, C. Kuntner, T. Wanek, H. Mikula
Design, Synthesis, and Evaluation of a Low-Molecular-Weight 11C-Labeled Tetrazine for Pretargeted PET Imaging Applying Bioorthogonal in Vivo Click Chemistry
Bioconjugate Chemistry, 2016, 27, 1707-1712



C. Denk, D. Svatunek, T. Filip, T. Wanek, D. Lumpi, J. Fröhlich, C. Kuntner, H. Mikula
Development of a 18F-Labeled Tetrazine with Favorable Pharmacokinetics for Bioorthogonal PET Imaging
Angewandte Chemie International Edition, 2014, 53, 9655-9659


H. Mikula, D. Svatunek, P. Skrinjar, E. Horkel, C. Hametner, J. Fröhlich
DFT study of the Lewis acid mediated synthesis of 3-acyltetramic acids

Journal of Molecular Modeling, 2014, 20, 2181


H. Mikula, J. Weber, D. Svatunek, P. Skrinjar, G. Adam, R. Krska, C. Hametner, J. Fröhlich
Synthesis of Zearalenone-16-β,D-Glucoside and Zearalenone-16-Sulfate: A Tale of Protecting Resorcylic Acid Lactones for Regiocontrolled Conjugation
Beilstein Journal of Organic Chemistry, 2014, 10, 1129-1134



H. Mikula, D. Svatunek, D. Lumpi, F. Glöcklhofer, C. Hametner, J. Fröhlich
Practical and Efficient Large-Scale Preparation of Dimethyldioxirane

Organic Process Research & Development, 2013, 17, 313-316