Peer Reviewed Publications
*corresponding author
49.
D. Svatunek*
Computational Organic Chemistry: The Frontier for Understanding and Designing Bioorthogonal Cycloadditions
Topics in Current Chemistry, 2024, accepted
48.
B. Herrmann, D. Svatunek*
Directionality of Halogen-Bonds: Insights from 2D Energy Decomposition Analysis
Chemistry – An Asian Journal, 2024, e202301106
47.
J. Pecak, R. A. Talmazan, D. Svatunek, K.Kirchner, M. Podewitz*
Is Mn(I) More Promising Than Fe(II)─A Comparison of Mn vs Fe Complexes for Olefin Metathesis
Organomettalics, 2024, DOI: 10.1021/acs.organomet.3c00398
46.
D. Svatunek,* A. Murnauer, Z. Tan, K. N. Houk, K Lang*
How Cycloalkane Fusion Enhances the Cycloaddition Reactivity of Dibenzocyclooctynes
Chemical Science, 2024, accepted, DOI: 10.1039/D3SC05789E
45.
M. Wilkovitsch, D. Svatunek, H. Mikula*, C. Denk*
Post-radiolabeling thioether oxidation to enhance the bioorthogonal reactivity of 18F-tetrazines
Monatshefte für Chemie - Chemical Monthly, 2023
44.
A. Haidinger, C. Dilly, R. Fischer, D. Svatunek, J. Uher, J. Hlina*
Inorganic Chemistry, 2023, 62, 17713-17720
43.
I. Fernández, F. M. Bickelhaupt, D. Svatunek*
Unraveling the Bürgi-Dunitz Angle with Precision: The Power of a Two-Dimensional Energy Decomposition Analysis
Journal of Chemical Theory and Computation, 2023. DOI: 10.1021/acs.jctc.3c00907
42.
D. Svatunek*
“Holographic” Autostereoscopic Displays: A Perspective on Their Technology and Potential Impact in Chemistry
Chemistry – A European Journal, 2023, e202301746
41.
D. Svatunek, Konrad Chojnacki, Titas Deb, Hannah Eckvahl, K. N. Houk, Raphael M. Franzini*
Organic Letters, 2023, DOI: 10.1021/acs.orglett.3c02265
40.
N. Houszka, H. Mikula, D. Svatunek*
Substituent Effects in Bioorthogonal Diels–Alder Reactions of 1,2,4,5-Tetrazines
Chemistry - A European Journal, 2023, e202300345
39.
M. Steinacher, D. Svatunek, M. Weil, B. Mohaammadi, P. Gärtner*
Synthesis and conformational analysis of a potentially super-armed glucuronidation donor
Monatshefte für Chemie – Chemical Monthly, 2022
38.
W. Kuba, B. Sohr, P. Keppel, D. Svatunek, V. Humhal, B. Stöger, M. Goldeck, J. C. T. Carlson, H. Mikula*
Chemistry – A European Journal, 2022, e202203069
37.
A. Sengupta, B. Li, D. Svatunek, F. Liu*, K. N. Houk*
Accounts of Chemical Research, 2022, DOI: 10.1021/acs.accounts.2c00343
36.
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.
D. Svatunek*, M. Wilkovitsch, L. Hartmann, K.N. Houk, H. Mikula*
Journal of the American Chemical Society, 2022, 144, 8171-8177
34.
U. M. Battisti, R. García-Vázquez, D. Svatunek, B. Herrmann, A. Löffler, H. Mikula, M. M. Herth*
Bioconjugate Chemistry, 2022, 33, 608-624
33.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
D. Svatunek, R.P. Pemberton, J.L. Mackay, P. Liu, K.N. Houk*
The Journal of Organic Chemistry, 2020, 85, 3858-3864
22.
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
Part of the "Hot Topic: Click Chemistry" series
Part of the "Young Chemists 2020" special selection
21.
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.
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.
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.
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.
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.
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
selected as Hot Paper
15.
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.
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.
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.
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.
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.
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.
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
Thieme News article: "Increasing Tetrazine Reactivity in the IEDDA Reaction"
8.
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.
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.
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.
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.
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.
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.
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.
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