Peer Reviewed Publications

*corresponding author     

38.

Open Access

W. Kuba, B. Sohr, P. Keppel, D. Svatunek, V. Humhal, B. Stöger, M. Goldeck, J. C. T. Carlson, H. Mikula*

Oxidative Desymmetrization Enables the Concise Synthesis of a trans-Cyclooctene Linker for Bioorthogonal Bond-Cleavage

Chemistry – A European Journal, 2022,  e202203069

37.

Open Access

A. Sengupta, B. Li, D. Svatunek, F. Liu*, K. N. Houk*

Cycloaddition Reactivities Analyzed by Energy Decomposition Analyses and the Frontier Molecular Orbital Model

Accounts of Chemical Research, 2022, DOI: 10.1021/acs.accounts.2c00343

36.

Open Access

Z. Wu, K.N. Houk, D.L. Boger*, D. Svatunek*

Mechanistic Insights into the Reaction of Amidines with 1,2,3-Triazines and 1,2,3,5-Tetrazines

Journal of the American Chemical Society, 2022, 144, 10921-10928

35.

Open Access

D. Svatunek*, M. Wilkovitsch, L. Hartmann,  K.N. Houk, H. Mikula*

Uncovering the Key Role of Distortion in Bioorthogonal Tetrazine Tools That Defy the Reactivity/Stability Trade-Off

Journal of the American Chemical Society, 2022, 144, 8171-8177


34.

Open Access

U. M. Battisti, R. García-Vázquez, D. Svatunek, B. Herrmann, A. Löffler, H. Mikula, M. M. Herth*

Synergistic Experimental and Computational Investigation of the Bioorthogonal Reactivity of Substituted Aryltetrazines

Bioconjugate Chemistry, 2022, 33, 608-624

33.

Open Access

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

Origin of Increased Reactivity in Rhenium-Mediated Cycloadditions of Tetrazines

Journal of Organic Chemistry, 2021, 86, 13129–13133


32.

Open Access

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, 12, 11668-11675

31.

Open Access

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, 2021, 60, 14989-14997

30.

Open Access

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

29.

Open Access

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

28.

Open Access

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

​​

27.

Open Access

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

26.

Open Access

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


25.

Open Access

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

24.

Open Access

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

23.

Open Access

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

22.

Open Access

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

21.

Open Access

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

20.

Open Access

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

19.

Open Access

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

18.

Open Access

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

17.

Open Access

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

16.

Open Access

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


15.

Open Access

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

14.

Open Access

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

13.

Open Access

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

12.

Open Access

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

11.

Open Access

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

10.

Open Access

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

9.

Open Access

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

8.

Open Access

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

7.

Open Access

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

6.

Open Access

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

5.

Open Access

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

4.

Open Access

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


3.

Open Access

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

2.

Open Access

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

1.

Open Access

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