Henning Henschel

Novel Macrocyclic Peptidomimetics Targeting the Insulin-Regulated Aminopeptidase (IRAP): Design, Synthesis and Evaluation

Olaniran Håkansson, Esther; Balestri, Lorenzo Jacopo Ilic; Puthiyaparambath, Sharathna; Moes, Sebastian et al.

Part of RSC Medicinal chemistry, p. 5059-5069, 2025

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Effects of collagen and chondroitin sulfate on relaxation at multiple magnetic field strengths

Aro, Olli-Pekka; Casula, Victor; Hänninen, Nina E.; Karjalainen, Jouni et al.

Part of Heliyon, 2025

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Exploring the Role of Photolysis in the Aquatic Fate of Antimicrobial Transformation Products: Implications for One Health

Löffler, Paul; Henschel, Henning; Ugolini, Valentina; Flores Quintana, Harold et al.

Part of ACS - ES & T Water, p. 4112-4119, 2025

• DOI for Exploring the Role of Photolysis in the Aquatic Fate of Antimicrobial Transformation Products: Implications for One Health
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In Silico Frontiers Shaping the Next Generation of Transformation Product Prediction and Toxicological Assessment

Löffler, Paul; Schymanski, Emma L.; Henschel, Henning; Lai, Foon Yin

Part of Environmental Science and Technology, p. 19095-19106, 2025

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Regulation of airway fumarate by host and pathogen promotes Staphylococcus aureus pneumonia

Chen, Ying-Tsun; Liu, Zihua; Fucich, Dario; Giulieri, Stefano G. et al.

Part of Nature Communications, 2025

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Novel Macrocyclic Peptidomimetics Targeting the Insulin-Regulated Aminopeptidase (IRAP): Design, Synthesis and Evaluation

Olaniran Håkansson, Esther; Balestri, Lorenzo Jacopo Ilic; Puthiyaparambath, Sharathna; Moes, Sebastian et al.

Part of RSC Medicinal chemistry, p. 5059-5069, 2025

• DOI for Novel Macrocyclic Peptidomimetics Targeting the Insulin-Regulated Aminopeptidase (IRAP): Design, Synthesis and Evaluation
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Effects of collagen and chondroitin sulfate on relaxation at multiple magnetic field strengths

Aro, Olli-Pekka; Casula, Victor; Hänninen, Nina E.; Karjalainen, Jouni et al.

Part of Heliyon, 2025

• DOI for Effects of collagen and chondroitin sulfate on relaxation at multiple magnetic field strengths
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Exploring the Role of Photolysis in the Aquatic Fate of Antimicrobial Transformation Products: Implications for One Health

Löffler, Paul; Henschel, Henning; Ugolini, Valentina; Flores Quintana, Harold et al.

Part of ACS - ES & T Water, p. 4112-4119, 2025

• DOI for Exploring the Role of Photolysis in the Aquatic Fate of Antimicrobial Transformation Products: Implications for One Health
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Regulation of airway fumarate by host and pathogen promotes Staphylococcus aureus pneumonia

Chen, Ying-Tsun; Liu, Zihua; Fucich, Dario; Giulieri, Stefano G. et al.

Part of Nature Communications, 2025

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Melting of aqueous NaCl solutions in porous materials: shifted phase transition distribution (SIDI) approach for determining NMR cryoporometry pore size distributions

Mailhiot, Sarah E.; Tolkkinen, Katja; Henschel, Henning; Mareš, Jiří et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 3441-3450, 2024

• DOI for Melting of aqueous NaCl solutions in porous materials: shifted phase transition distribution (SIDI) approach for determining NMR cryoporometry pore size distributions
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Enhanced Risk Assessment of Transformation Products through Chemical Similarity Analysis

Löffler, Paul; Lai, Adelene; Henschel, Henning; Spilsbury, Francis et al.

Part of ACS - ES & T Water, p. 1949-1951, 2024

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SPICY: a method for single scan rotating frame relaxometry

Tolkkinen, Katja; Mailhiot, Sarah; Selent, Anne; Mankinen, Otto et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 13164-13169, 2023

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Dipolar Relaxation of Water Protons in the Vicinity of a Collagen-like Peptide

Karjalainen, Jouni; Henschel, Henning; Nissi, Mikko J.; Nieminen, Miika T. et al.

Part of Journal of Physical Chemistry B, p. 2538-2551, 2022

• DOI for Dipolar Relaxation of Water Protons in the Vicinity of a Collagen-like Peptide
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Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields

Henschel, Henning; Andersson, Alfred T.; Jespers, Willem; Ghahremanpour, Mohammad Mehdi et al.

Part of Journal of Chemical Theory and Computation, p. 3307-3315, 2020

• DOI for Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields
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An Intuitively Understandable Quality Measure for Theoretical Vibrational Spectra

Henschel, Henning; Van der Spoel, David

Part of The Journal of Physical Chemistry Letters, p. 5471-5475, 2020

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A potential for molecular simulation of compounds with linear moieties

Van der Spoel, David; Henschel, Henning; van Maaren, Paul J.; Ghahremanpour, Mohammad M. et al.

Part of Journal of Chemical Physics, 2020

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Mechanism of the Oxidation of Heptafulvenes to Tropones Studied by Online Mass Spectrometry and Density Functional Theory Calculations

Nilsson, Sofia M. E.; Henschel, Henning; Scotti, Gianmario; Haapala, Markus et al.

Part of The Journal of Organic Chemistry, p. 13975-13982, 2019

• DOI for Mechanism of the Oxidation of Heptafulvenes to Tropones Studied by Online Mass Spectrometry and Density Functional Theory Calculations

New Parameterizations for Neutral and Ion-Induced Sulfuric Acid-Water Particle Formation in Nucleation and Kinetic Regimes

Maattaenen, Anni; Merikanto, Joonas; Henschel, Henning; Duplissy, Jonathan et al.

Part of Journal of Geophysical Research-Atmospheres, p. 1269-1296, 2018

• DOI for New Parameterizations for Neutral and Ion-Induced Sulfuric Acid-Water Particle Formation in Nucleation and Kinetic Regimes

New particle formation from sulfuric acid and amines: Comparison of monomethylamine, dimethylamine, and trimethylamine

Olenius, Tinja; Halonen, Roope; Kurten, Theo; Henschel, Henning et al.

Part of Journal of Geophysical Research-Atmospheres, p. 7103-7118, 2017

• DOI for New particle formation from sulfuric acid and amines: Comparison of monomethylamine, dimethylamine, and trimethylamine

Molecular-scale evidence of aerosol particle formation via sequential addition of HIO3

Sipilä, Mikko; Sarnela, Nina; Jokinen, Tuija; Henschel, Henning et al.

Part of Nature, p. 532-534, 2016

• DOI for Molecular-scale evidence of aerosol particle formation via sequential addition of HIO3

Effect of ions on sulfuric acid-water binary particle formation: 1. Theory for kinetic- and nucleation-type particle formation and atmospheric implications

Merikanto, Joonas; Duplissy, Jonathan; Maattanen, Anni; Henschel, Henning et al.

Part of Journal of Geophysical Research-Atmospheres, p. 1736-1751, 2016

• DOI for Effect of ions on sulfuric acid-water binary particle formation: 1. Theory for kinetic- and nucleation-type particle formation and atmospheric implications

Computational Study on the Effect of Hydration on New Particle Formation in the Sulfuric Acid/Ammonia and Sulfuric Acid/Dimethylamine Systems

Henschel, Henning; Kurten, Theo; Vehkamaki, Hanna

Part of Journal of Physical Chemistry a, p. 1886-1896, 2016

• DOI for Computational Study on the Effect of Hydration on New Particle Formation in the Sulfuric Acid/Ammonia and Sulfuric Acid/Dimethylamine Systems

Effect of ions on sulfuric acid-water binary particle formation: 2. Experimental data and comparison with QC-normalized classical nucleation theory

Duplissy, J.; Merikanto, J.; Franchin, A.; Tsagkogeorgas, G. et al.

Part of Journal of Geophysical Research-Atmospheres, p. 1752-1775, 2016

• DOI for Effect of ions on sulfuric acid-water binary particle formation: 2. Experimental data and comparison with QC-normalized classical nucleation theory

Effect of Conformers on Free Energies of Atmospheric Complexes

Partanen, Lauri; Vehkamaki, Hanna; Hansen, Klavs; Elm, Jonas et al.

Part of Journal of Physical Chemistry a, p. 8613-8624, 2016

• DOI for Effect of Conformers on Free Energies of Atmospheric Complexes

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

Kupiainen-Maatta, Oona; Henschel, Henning; Kurten, Theo; Loukonen, Ville et al.

Part of Chemical Physics Letters, p. 107-110, 2015

• DOI for 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

Structures, Hydration, and Electrical Mobilities of Bisulfate Ion-Sulfuric Acid-Ammonia/Dimethylamine Clusters: A Computational Study

Tsona, Narcisse T.; Henschel, Henning; Bork, Nicolai; Loukonen, Ville et al.

Part of Journal of Physical Chemistry a, p. 9670-9679, 2015

• DOI for Structures, Hydration, and Electrical Mobilities of Bisulfate Ion-Sulfuric Acid-Ammonia/Dimethylamine Clusters: A Computational Study

Effect of Hydration and Base Contaminants on Sulfuric Acid Diffusion Measurement: A Computational Study

Olenius, Tinja; Kurten, Theo; Kupiainen-Maatta, Oona; Henschel, Henning et al.

Part of Aerosol Science and Technology, p. 593-603, 2014

• DOI for Effect of Hydration and Base Contaminants on Sulfuric Acid Diffusion Measurement: A Computational Study

Hydration of atmospherically relevant molecular clusters: computational chemistry and classical thermodynamics.

Henschel, Henning; Navarro, Juan C Acosta; Yli-Juuti, Taina; Kupiainen-Maatta, Oona et al.

Part of The journal of physical chemistry. A, p. 2599-611, 2014

• DOI for Hydration of atmospherically relevant molecular clusters: computational chemistry and classical thermodynamics.

Hydration of Pure and Base-Containing Sulfuric Acid Clusters Studied by Computational Chemistry Methods

Henschel, Henning; Ortega, Ismael K.; Kupiainen, Oona; Olenius, Tinja et al.

Part of Nucleation and Atmospheric Aerosols, p. 218-221, 2013

• DOI for Hydration of Pure and Base-Containing Sulfuric Acid Clusters Studied by Computational Chemistry Methods

Molecular understanding of sulphuric acid-amine particle nucleation in the atmosphere

Almeida, Joao; Schobesberger, Siegfried; Kuerten, Andreas; Ortega, Ismael K. et al.

Part of Nature, 2013

• DOI for Molecular understanding of sulphuric acid-amine particle nucleation in the atmosphere

How Warfarin's Structural Diversity Influences Its Phospholipid Bilayer Membrane Permeation

Karlsson, Bjorn C. G.; Olsson, Gustaf D.; Friedman, Ran; Rosengren, Annika M. et al.

Part of Journal of Physical Chemistry B, p. 2384-2395, 2013

• DOI for How Warfarin's Structural Diversity Influences Its Phospholipid Bilayer Membrane Permeation

Computational and structural studies on the complexation of cobalt(II) acetate by water and pyridine

Henschel, Henning; Kloeckner, Jan-Peter; Nicholls, Ian A.; Prosenc, Marc H.

Part of Journal of Molecular Structure, p. 45-51, 2012

• DOI for Computational and structural studies on the complexation of cobalt(II) acetate by water and pyridine

Effect of the cross-linker on the general performance and temperature dependent behaviour of a molecularly imprinted polymer catalyst of a Diels-Alder reaction

Henschel, Henning; Kirsch, Nicole; Hedin-Dahlstrom, Jimmy; Whitcombe, Michael J. et al.

Part of Journal of Molecular Catalysis B, p. 199-205, 2011

• DOI for Effect of the cross-linker on the general performance and temperature dependent behaviour of a molecularly imprinted polymer catalyst of a Diels-Alder reaction

A density functional study on the factors governing metal catalysis of the direct aldol reaction

Henschel, Henning; Prosenc, Marc H.; Nicholls, Ian A.

Part of Journal of Molecular Catalysis A, p. 76-80, 2011

• DOI for A density functional study on the factors governing metal catalysis of the direct aldol reaction

Initial Steps of the Sol-Gel Process: Modeling Silicate Condensation in Basic Medium

Henschel, Henning; Schneider, Andreas M.; Prosenc, Marc H.

Part of Chemistry of Materials, p. 5105-5111, 2010

• DOI for Initial Steps of the Sol-Gel Process: Modeling Silicate Condensation in Basic Medium

Warfarin: an environment-dependent switchable molecular probe

Nicholls, Ian A.; Karlsson, Björn C. G.; Rosengren, Annika M.; Henschel, Henning

Part of Journal of Molecular Recognition, p. 604-608, 2010

• DOI for Warfarin: an environment-dependent switchable molecular probe

The mechanistic basis for warfarin's structural diversity and implications for its bioavailability

Henschel, Henning; Karlsson, Björn C. G.; Rosengren, Annika M.; Nicholls, Ian A.

Part of Journal of Molecular Structure, p. 7-9, 2010

• DOI for The mechanistic basis for warfarin's structural diversity and implications for its bioavailability

Molecularly imprinted polymer catalysis of a Diels-Alder reaction

Kirsch, Nicole; Hedin-Dahlstrom, Jimmy; Henschel, Henning; Whitcombe, Michael J. et al.

Part of Journal of Molecular Catalysis B-Enzymatic, p. 110-117, 2009

• DOI for Molecularly imprinted polymer catalysis of a Diels-Alder reaction

(H2O)(10) and (H2O)(12) on a virtual metal surface: The growth of ice

Henschel, Henning; Kraemer, Tobias; Lankau, Timm

Part of Langmuir, p. 10942-10950, 2006

• DOI for (H2O)(10) and (H2O)(12) on a virtual metal surface: The growth of ice

Multilayered nanoheterostructures: Theory and experiment

Dorfs, D; Henschel, Henning; Kolny, J; Eychmuller, A

Part of Journal of Physical Chemistry B, p. 1578-1583, 2004

• DOI for Multilayered nanoheterostructures: Theory and experiment

In Silico Frontiers Shaping the Next Generation of Transformation Product Prediction and Toxicological Assessment

Löffler, Paul; Schymanski, Emma L.; Henschel, Henning; Lai, Foon Yin

Part of Environmental Science and Technology, p. 19095-19106, 2025

• DOI for In Silico Frontiers Shaping the Next Generation of Transformation Product Prediction and Toxicological Assessment
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Rational design of biomimetic molecularly imprinted materials: theoretical and computational strategies for guiding nanoscale structured polymer development

Nicholls, Ian A.; Andersson, Håkan S.; Golker, Kerstin; Henschel, Henning et al.

Part of Analytical and Bioanalytical Chemistry, p. 1771-1786, 2011

• DOI for Rational design of biomimetic molecularly imprinted materials: theoretical and computational strategies for guiding nanoscale structured polymer development

Theoretical and computational strategies for rational molecularly imprinted polymer design

Nicholls, Ian A.; Andersson, Hakan S.; Charlton, Christy; Henschel, Henning et al.

Part of Biosensors & Bioelectronics, p. 543-552, 2009

• DOI for Theoretical and computational strategies for rational molecularly imprinted polymer design

Regulation of airway fumarate by host and pathogen promotes S.aureuspneumonia

Chen, Ying-Tsun; Liu, Zihua; Fucich, Dario; Giulieri, Stefano G. et al.

2025

• DOI for Regulation of airway fumarate by host and pathogen promotes S.aureuspneumonia