Henning Henschel




9638[1]

Henning Henschel
Ph.D.
Oulu University Hospital / room K1 104
henning.henschel(at)oulu.fi


Present position

  • Postdoctoral researcher

Current research interests

  • Catalysis
  • Density Functional Theory
  • MR Relaxation Mechanisms
  • Proton Transfer Reactions
  • QM/MM Methodology
  • Reaction Mechanisms
  • Semi-Empirical Methods
  • Water Dynamics
  • Weak Interactions

Education

  • PhD (Chemistry), Linnæus University, Kalmar, Sweden 2011
  • Chemistry Diploma (Dipl. Chem.), University of Hamburg, Germany 2005

Publons

ORCID iD iconOrcid

ResearcherID

Publications

24. Määttänen, A.; Merikanto, J.; Henschel, H.; Duplissy, J.; Ortega, I. K.; Makkonen, R.; Vehkamäki, H.
New Parameterizations for Neutral and Ion-Induced Sulfuric Acid-Water Particle Formation in Nucleation and Kinetic Regimes.
Journal of Geophysical Research: Atmospheres, 2018, 123, 1269–1296.
DOI: 10.1002/2017JD027429

23. Olenius, T.; Halonen, R.; Kurtén, T.; Henschel, H.; Kupiainen-Määttä, O.; Ortega, I. K.; Vehkamäki, H.; Riipinen, I.
New particle formation from sulfuric acid and amines: comparison of mono-, di-, and trimethylamines.
Journal of Geophysical Research: Atmospheres 2017, 122, 7103–7118.
DOI: 10.1002/2017JD026501

22. Partanen, L.; Vehkamäki, H.; Hansen, K.; Elm, J.; Henschel, H.; Kurtén, T.; Zapadinsky, E.
The Effect of Conformers on Free Energies of Atmospheric Complexes.
Journal of Physical Chemistry A 2016, 120, 8613–8624.
DOI: 10.1021/acs.jpca.6b04452

21. Sipilä, M.; Sarnela, N.; Jokinen, T.; Henschel, H.; Junninen, H.; Kontkanen, J.; Richters, S.; Kangasluoma, J.; Franchin, A.; Peräkylä, O.; Rissanen, M. P.; Ehn, M.; Vehkamäki, H.; Kurtén, T.; Berndt, T.; Petäjä, T.; Worsnop, D.; Ceburnis, D.; Kerminen, V.-M.; Kulmala, M.; O’Dowd, C.
Molecular scale evidence of new particle formation via sequential addition of HIO3.
Nature 2016, 537, 532–534.
DOI: 10.1038/nature19314

20. Henschel, H.; Kurtén, T.; Vehkamäki, H.
A Computational Study on the Effect of Hydration on New Particle Formation in the Sulfuric Acid/Ammonia and Sulfuric Acid/Dimethylamine Systems.
Journal of Physical Chemistry A 2016, 120, 1886–1896.
DOI: 10.1021/acs.jpca.5b11366

19. Duplissy, J.; Merikanto, J.; Franchin, A.; Tsagkogeorgas, G.; Kangasluoma, J.; Wimmer, D.; Vuollekoski, H.; Schobesberger, S.; Lehtipalo, K.; Flagan, R. C.; Brus, D.; Donahue, N. M.; Vehkamäki, H.; Almeida, J.; Amorim, A.; Barmet, P.; Bianchi, F.; Breitenlechner, M.; Dunne, E. M.; Guida, R.; Henschel, H.; Junninen, H.; Kirkby, J.; Kürten, A.; Kupc, A.; Määttänen, A.; Makhmutov, V.; Mathot, S.; Nieminen, T.; Onnela, A.; Praplan, A. P.; Riccobono, F.; Rondo, L.; Steiner, G.; Tome, A.; Walther, H.; Baltensperger, U.; Carslaw, K. S.; Dommen, J.; Hansel, A.; Petäjä, T.; Sipilä, M.; Stratmann, F.; Vrtala, A.; Wagner, P. E.; Worsnop, D. R.; Curtius, J.; Kulmala, M.
Effect of Ions on Sulfuric Acid-Water Binary Particle Formation II: Experimental Data and Comparison with QC-Normalized Classical Nucleation Theory.
Journal of Geophysical Research – Atmospheres 2016, 121, 1752–1775.
DOI: 10.1002/2015JD023539

18. Merikanto, J.; Duplissy, J.; Määttänen, A.; Henschel, H.; Donahue, N. M.; Brus, D.; Schobesberger, S.; Kulmala, M.; Vehkamäki, H.
Effect of Ions on Sulfuric Acid-Water Binary Particle Formation I: Theory for Kinetic and Nucleation-Type Particle Formation and Atmospheric Implications.
Journal of Geophysical Research – Atmospheres 2016, 121, 1736–1751.
DOI: 10.1002/2015JD023538

17. Tsona, N.; Henschel, H.; Bork, N.; Loukonen, V.; Vehkamäki, H.
Structures, Hydration and Electrical Mobilities of Bisulfate Ion-Sulfuric Acid-Ammonia/Dimethylamine Clusters – a Computational Study.
Journal of Physical Chemistry A 2015, 119, 9670–9679.
DOI: 10.1021/acs.jpca.5b03030

16. Kupiainen-Määttä, O.; Henschel, H.; Kurtén, T.; Loukonen, V.; Olenius, T.; Paasonen, P.; Vehkamäki, H.
Comment on ’Enhancement in the Production of Nucleating Clusters Due to Dimethylamine and Large Uncertainties in the Thermochemistry of Amine-Enhanced Nucleation’ by Nadykto et al., Chem. Phys. Lett. 609 (2014) 42-49.
Chemical Physics Letters 2015, 624, 107–110.
DOI: 10.1016/j.cplett.2015.01.029

15. Olenius, T.; Kurtén, T.; Kupiainen-Määttä, O.; Henschel, H.; Ortega, I. K.; Vehkamäki, H.
Effect of Hydration and Base Contaminants on Sulfuric Acid Diffusion Measurement: A Computational Study.
Aerosol Science and Technology 2014, 48, 593-603.
DOI: 10.1080/02786826.2014.903556

14. Henschel, H.; Navarro, J. C. A.; Yli-Juuti, T.; Kupiainen-Määttä, O.; Olenius, T.; Ortega, I. K.; Clegg, S. L.; Kurtén, T.; Riipinen, I.; Vehkamäki, H.
Hydration of Atmospherically Relevant Molecular Clusters: Computational Chemistry and Classical Thermodynamics.
Journal of Physical Chemistry A 2014, 118, 2599–2611.
DOI: 10.1021/jp500712y

13. Karlsson, B. C. G.; Olsson, G. D.; Friedman, R.; Rosengren, A. M.; Henschel, H.; Nicholls, I. A.
How Warfarin’s Structural Diversity Influences Its Phospholipid Bilayer Membrane Permeation.
Journal of Physical Chemistry B 2013, 117, 2384–2395.
DOI: 10.1021/jp400264x

12. Almeida, J.; Schobesberger, S.; Kuerten, A.; Ortega, I. K.; Kupiainen-Määttä, O.; Praplan, A. P.; Adamov, A.; Amorim, A.; Bianchi, F.; Breitenlechner, M.; David, A.; Dommen, J.; Donahue, N. M.; Downard, A.; Dunne, E.; Duplissy, J.; Ehrhart, S.; Flagan, R. C.; Franchin, A.; Guida, R.; Hakala, J.; Hansel, A.; Heinritzi, M.; Henschel, H.; Jokinen, T.; Junninen, H.; Kajos, M.; Kangasluoma, J.; Keskinen, H.; Kupc, A.; Kurtén, T.; Kvashin, A. N.; Laaksonen, A.; Lehtipalo, K.; Leiminger, M.; Leppä, J.; Loukonen, V.; Makhmutov, V.; Mathot, S.; McGrath, M. J.; Nieminen, T.; Olenius, T.; Onnela, A.; Petäjä, T.; Riccobono, F.; Riipinen, I.; Rissanen, M.; Rondo, L.; Ruuskanen, T.; Santos, F. D.; Sarnela, N.; Schallhart, S.; Schnitzhofer, R.; Seinfeld, J. H.; Simon, M.; Sipilä, M.; Stozhkov, Y.; Stratmann, F.; Tomé, A.; Tröst, J.; Tsagkogeorgas, G.; Vaattovaara, P.; Viisanen, Y.; Virtanen, A.; Vrtala, A.; Wagner, P. E.; Weingartner, E.; Wex, H.; Williamson, C.; Wimmer, D.; Ye, P.; Yli-Juuti, T.; Carslaw, K. S.; Kulmala, M.; Curtius, J.; Baltensperger, U.; Worsnop, D.; Vehkamäki, H.; Kirkby, J.
Molecular Understanding of Sulphuric Acid-Amine Particle Nucleation in the Atmosphere.
Nature 2013, 502, 359–363.
DOI: 10.1038/nature12663

11. Henschel, H.; Klöckner, J.-P.; Nicholls, I. A.; Prosenc, M. H.
Computational and Structural Studies on the Complexation of Cobalt(II) Acetate by Water and Pyridine.
Journal of Molecular Structure 2012, 1007, 45–51.
DOI: 10.1016/j.molstruc.2011.09.050

10. Henschel, H.; Prosenc, M. H.; Nicholls, I. A.
A Density Functional Study on the Factors Governing Metal Catalysis of the Direct Aldol Reaction.
Journal of Molecular Catalysis A: Chemical 2011, 351, 76–80.
DOI: 10.1016/j.molcata.2011.09.019

9. Henschel, H.; Kirsch, N.; Hedin-Dahlström, J.; Whitcombe, M. J.; Wikman, S.; Nicholls, I. A.
Effect of the cross-linker on the general performance and temperature dependent behaviour of a molecularly imprinted polymer catalyst of a Diels-Alder reaction.
Journal of Molecular Catalysis B: Enzymatic 2011, 72, 199–205.
DOI: 10.1016/j.molcatb.2011.06.006

8. Nicholls, I. A.; Andersson, H. S.; Golker, K.; Henschel, H.; Karlsson, B. C. G.; Olsson, G. D.; Rosengren, A. M.; Shoravi, S.; Suriyanarayanan, S.; Wiklander, J. G.; Wikman, S.
Rational Design of Biomimetic Molecularly Imprinted Materials: Theoretical and Computational Strategies for Guiding Nanoscale Structured Polymer Development.
Analytical and Bioanalytical Chemistry 2011, 400, 1771–1786.
DOI: 10.1007/s00216-011-4935-1

7. Henschel, H.; Karlsson, B. C. G.; Rosengren, A. M.; Nicholls, I. A.
The Mechanistic Basis for Warfarins Structural Diversity and Implications for its Bioavailability.
Journal of Molecular Structure: THEOCHEM 2010, 958, 7–9.
DOI: 10.1016/j.theochem.2010.07.018

6. Nicholls, I. A.; Karlsson, B. C. G.; Rosengren, A. M.; Henschel, H.
Warfarin: An Environment-Dependent Switchable Molecular Probe.
Journal of Molecular Recognition 2010, 23, 604–608.
DOI: 10.1002/jmr.1058

5. Henschel, H.; Schneider, A. M.; Prosenc, M. H.
Initial Steps of the Sol-Gel Process: Modelling Silicate Condensation in Basic Medium.
Chemistry of Materials 2010, 22, 5105–5111.
DOI: 10.1021/cm100401f 4. Kirsch, N.; Hedin-Dahlström, J.; Henschel, H.; Whitcombe, M. J.; Wikman, S.; Nicholls, I. A.
Molecularly Imprinted Polymer Catalysis of a Diels-Alder Reaction.
Journal of Molecular Catalysis B: Enzymatic 2009, 58, 110–117.
DOI: 10.1016/j.molcatb.2008.12.002

3. Nicholls, I. A.; Andersson, H. S.; Charlton, C; Henschel, H.; Karlsson, B. C. G.; Karlsson, J. G.; O’Mahony, J.; Rosengren, A. M.; Rosengren, K. J.; Wikman, S.
Theoretical and Computational Strategies for Rational Molecularly Imprinted Polymer Design.
Biosensors and Bioelectronics 2009, 25, 543–552.
DOI: 10.1016/j.bios.2009.03.038

2. Henschel, H.; Krämer, T.; Lankau, T.
(H2O)10 and (H2O)12 on a Virtual Metal Surface: The Growth of Ice.
Langmuir 2006, 22, 10942–10950.
DOI: 10.1021/la0603471

1. Dorfs, D.; Henschel, H.; Kolny, J.; Eychmueller, A.
Multilayered Nanoheterostructures: Theory and Experiment.
Journal of Physical Chemistry B 2004, 108, 1578–1583.
DOI: 10.1021/jp036643t

Book Chapter

1. Nicholls, I. A.; Andersson, H. S.; Golker, K.; Henschel, H.; Karlsson, B. C. G.; Olsson, G. D.; Rosengren, A. M.; Shoravi, S.; Wiklander, J. G.; Wikman, S.
Rational Molecularly Imprinted Polymer Design: Theoretical and Computational Strategies.
In: Ye, L. (ed.) Molecular Imprinting: Principles and Applications of Micro- and Nanostructure Polymers, Pan Stanford Publishing: London, UK, 2013.



Conference Contributions

Oral Presentations

8. Henschel, H.; Hanni, M.; Nieminen, M. T.
Strategies for Obtaining Relaxation Rates due to Chemical Exchange from Parameter Free Atomistic Simulations.
Joint Annual Meeting ISMRM-ESMRMB 2018
Paris, France, June 2018.

7. Henschel, H.; Kupiainen-Määttä, O.; Olenius, T.; Kurtén, T.; Vehkamäki, H.
Quantum Chemical Calculations on Atmospheric Particle Formation from Sulfuric Acid, Amines, and Water.
BBCL 20th Anniversary Symposium,
Kalmar, Schweden, Dezember 2015. 6. Henschel, H.; Sipilä, M.; Sarnela, N.; Jokinen, T.; Richters, S.; Kangasluoma, J.; Franchin, A.; Peräkylä, O.; Kontkanen, J.; Junninen, H.; Rissanen, M.; Ehn, M.; Berndt, T.; Petäjä, T.; Worsnop, D.; Ceburnis, D.; Kulmala, M.; O’Dowd, C.; Kurtén, T.; Vehkamäki, H.
Molecular Processes in Coastal Particle Formation Involving Iodine Oxides.
12th Informal Conference on Atmospheric and Molecular Science,
Aarhus, Danmark, June 2015.

5. Henschel, H.; Kupiainen-Määttä, O.; Olenius, T.; Kurtén, T.; Vehkamäki, H.
Modelling the Effect of Hydration on Atmospheric New Particle Formation from Sulphuric Acid and Amines.
Physics Days,
Helsinki, Finnland, März 2015. 4. Henschel, H.; Kupiainen-Määttä, O.; Olenius, T.; Kurtén, T.; Vehkamäki, H.
Modelling of the Humidity Dependence of Particle Formation in the Sulphuric Acid/Amine System.
Finnish Centre of Excellence in Physics, Chemistry, Biology and Meteorology of Atmospheric Composition and Climate Change meeting,
Helsinki, Finland, November 2014.

3. Henschel, H.; Kupiainen-Määttä, O.; Olenius, T.; Kurtén, T.; Vehkamäki, H.
Modelling of the Effect of Hydration on Particle Formation Rates in the Sulfuric Acid/Amine System.
International Aerosol Conference,
Busan, Korea, August/September 2014.

2. Henschel, H.; Tsona, N.; Kupiainen-Määttä, O.; Olenius, T.; Kurtén, T.; Vehkamäki, H.
Modeling the Effect of Hydration on Particle Formation Based on Electronic Structure Calculations.
18th Finnish-Estonian Air Ion and Aerosol Workshop,
Pühajärve, Estonia, June 2014.

1. Henschel, H.; Ortega, I. K.; Kupiainen, O.; Olenius, T.; Kurtén, T.; Vehkamäki, H.
Hydration of Sulfuric Acid Clusters and the Impact of Bases.
European Aerosol Conference,
Prague, Czech Republic, September 2013.

Poster Presentations

16. Henschel, H.; Nieminen, M. T.
Benchmarking of Semi-Empirical QM/MM Methods for Proton Dynamics in Biomolecular Matrices.
16th International Congress of Quantum Chemistry
Menton, France, June 2018.

15. Henschel, H.; Hanni, M.; Nieminen, M. T.
Strategies for Obtaining Relaxation Rates due to Chemical Exchange from Parameter Free Atomistic Simulations.
Joint Annual Meeting ISMRM-ESMRMB 2018
Paris, France, June 2018.

14. Henschel, H.; Hanni, M.; Nieminen, M. T.
Benchmarking of Semi-Empirical QM/MM Methods for Proton Transfers between Biomacromolecules and Aqueous Solvent.
11th Triennial Congress of the World Association of Theoretical and Computational Chemistry (WATOC),
Munich, Germany, August/September 2017.

13. Kupiainen-Määttä, O.; Henschel, H.
A Simulation-Based Method for Determining Collision and Evaporation Rates from Measured Cluster Distributions.
12th Informal Conference on Atmospheric and Molecular Science,
Aarhus, Danmark, June 2015.

12. Henschel, H.; Kupiainen-Määttä, O.; Olenius, T.; Kurtén, T.; Vehkamäki, H.
The Effect of Hydration on Particle Formation Rates in the Sulfuric Acid/Amine System Derived from Quantum Chemistry.
NOSA-FAAR Symposium,
Kupio, Finland, March 2015.

11. Olenius, T.; Halonen, L.; Henschel, H.; Kupiainen-Määttä, O.; Kurtén, T.; Lehtinen, K.; Vehkamäki, H.
From Vapor Molecules to Atmospheric Aerosol Particles: Insights from the ComQuaCC Project.
Academy of Finland Annual Seminar of Computational Science Research Programme (Lastu),
Helsinki, Finland, December 2014.

10. Henschel, H.; Kupiainen-Määttä, O.; Olenius, T.; Kurtén, T.; Vehkamäki, H.
Modelling of the Humidity Dependence of Particle Formation in the Sulphuric Acid/Amine System.
Finnish Centre of Excellence in Physics, Chemistry, Biology and Meteorology of Atmospheric Composition and Climate Change Meeting,
Helsinki, Finnland, November 2014. 9. Henschel, H.; Kupiainen-Määttä, O.; Kurtén, T.; Loukonen, V.; Olenius, T.; Vehkamäki, H.
Sulfuric Acid Clusters in Atmospheric Particle Formation: Insights from Computational Approaches.
17th International Symposium on Small Particles and Inorganic Clusters,
Fukuoka, Japan, September 2014.

8. Henschel, H.; Ortega, I. K.; Kupiainen-Määttä, O.; Olenius, T.; Kurtén, T.; Vehkamäki, H.
Modelling of Hydration Effects on Particle Formation in the Sulfuric Acid/Amine System.
NOSA Aerosol Symposium,
Stockholm, Sweden, January 2014.

7. Henschel, H.; Ortega, I. K.; Kupiainen, O.; Olenius, T.; Kurtén, T.; Vehkamäki, H.
Hydration of Pure and Basecontaining Sulfuric Acid Clusters Studied by Computational Chemistry Methods.
19th International Conference on Nucleation & Atmospheric Aerosols,
Fort Collins, Colorado, USA, June 2013.

6. Henschel, H.; Prosenc, M. H.; Nicholls, I. A.
Transition Metal Complexes in Aldol Reaction Catalysis.
8th European Conference on Computational Chemistry,
Lund, Schweden, August 2010. 5. Henschel, H.; Karlsson, B. C.G.; Rosengren, A. M.; Nicholls, I. A.
Insights into the Isomerization Mechanism of Warfarin.
22nd Swedish Organic Chemistry Meeting,
Uppsala, Sweden, June 2010.

4. Henschel, H.; Prosenc, M. H.; Nicholls, I. A.
Towards Substrate Selective Catalysts for Aldol Reactions.
Fourth International Workshop on Molecularly Imprinted Polymers,
Cardiff, Wales, September 2006.

3. Kirsch, N.; Hedin-Dahlström, J.; Henschel, H.; Whitcombe, M. J.; Wikman, S.; Nicholls, I. A.
Molecularly Polymer Catalysis of a Diels-Alder Reaction.
20th Swedish Organic Chemistry Meeting,
Kalmar, Sweden, June 2006.

2. Henschel, H.; Prosenc, M. H.; Nicholls, I. A.
Towards Substrate Selective Catalysts for Aldol Reactions.
20th Swedish Organic Chemistry Meeting,
Kalmar, Sweden, June 2006.

1. Dürkop, M.; He, J.; Henschel, H.; Klöckner, J.-P.; May, S.; Prosenc, M. H.; Werner, T.
Energie Resourcen: Untersuchungen zur Umwandlung von Methan zu Methanol.
8th Norddeutsches Doktorandenkollegium,
Rostock, Germany, September 2005.