Chemistry and Pharmaceutical Sciences

Research Output 1977 2020

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2020

Aggregation induced emission of a new naphthyridine-ethynyl-gold(i) complex as a potential tool for sensing guanosine nucleotides in aqueous media

Moro, A. J., Avó, J., Malfois, M., Zaccaria, F., Fonseca Guerra, C., Caparrós, F. J., Rodríguez, L. & Lima, J. C., 7 Jan 2020, In : Dalton Transactions. 49, 1, p. 171-178 8 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Naphthyridines
Guanosine
Gold
Hydrogen bonds
Agglomeration
biofuel
Biofuels
air traffic
nongovernmental organization
Aviation

Discovery of N-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1)

Lunk, I., Litty, F-A., Hennig, S., Vetter, I. R., Kotthaus, J., Altmann, K. S., Ott, G., Havemeyer, A., Carillo García, C., Clement, B. & Schade, D., 9 Jan 2020, In : Journal of Medicinal Chemistry. 63, 1, p. 425-432 8 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Guanidine
Catalytic Domain
Amidines
Acids
Prodrugs

Identification of mutagenic and endocrine disrupting compounds in surface water and wastewater treatment plant effluents using high-resolution effect-directed analysis

Zwart, N., Jonker, W., Broek, R. T., de Boer, J., Somsen, G., Kool, J., Hamers, T., Houtman, C. J. & Lamoree, M. H., 1 Jan 2020, In : Water Research. 168, p. 1-9 9 p., 115204.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Water treatment
Surface waters
Wastewater treatment
Mutagens
Effluents

NIST Interlaboratory Study on Glycosylation Analysis of Monoclonal Antibodies: Comparison of Results from Diverse Analytical Methods

De Leoz, M. L. A., Duewer, D. L., Fung, A., Liu, L., Yau, H. K., Potter, O., Staples, G. O., Furuki, K., Frenkel, R., Hu, Y., Sosic, Z., Zhang, P., Altmann, F., Gru Nwald-Grube, C., Shao, C., Zaia, J., Evers, W., Pengelley, S., Suckau, D., Wiechmann, A. & 142 othersResemann, A., Jabs, W., Beck, A., Froehlich, J. W., Huang, C., Li, Y., Liu, Y., Sun, S., Wang, Y., Seo, Y., An, H. J., Reichardt, N. C., Ruiz, J. E., Archer-Hartmann, S., Azadi, P., Bell, L., Lakos, Z., An, Y., Cipollo, J. F., Pucic-Bakovic, M., Štambuk, J., Lauc, G., Li, X., Wang, P. G., Bock, A., Hennig, R., Rapp, E., Creskey, M., Cyr, T. D., Nakano, M., Sugiyama, T., Leung, P. K. A., Link-Lenczowski, P., Jaworek, J., Yang, S., Zhang, H., Kelly, T., Klapoetke, S., Cao, R., Kim, J. Y., Lee, H. K., Lee, J. Y., Yoo, J. S., Kim, S. R., Suh, S. K., de Haan, N., Falck, D., Lageveen-Kammeijer, G. S. M., Wuhrer, M., Emery, R. J., Kozak, R. P., Liew, L. P., Royle, L., Urbanowicz, P. A., Packer, N. H., Song, X., Everest-Dass, A., Lattová, E., Cajic, S., Alagesan, K., Kolarich, D., Kasali, T., Lindo, V., Chen, Y., Goswami, K., Gau, B., Amunugama, R., Jones, R., Stroop, C. J. M., Kato, K., Yagi, H., Kondo, S., Yuen, C. T., Harazono, A., Shi, X., Magnelli, P. E., Kasper, B. T., Mahal, L., Harvey, D. J., O'Flaherty, R., Rudd, P. M., Saldova, R., Hecht, E. S., Muddiman, D. C., Kang, J., Bhoskar, P., Menard, D., Saati, A., Merle, C., Mast, S., Tep, S., Truong, J., Nishikaze, T., Sekiya, S., Shafer, A., Funaoka, S., Toyoda, M., de Vreugd, P., Caron, C., Pradhan, P., Tan, N. C., Mechref, Y., Patil, S., Rohrer, J. S., Chakrabarti, R., Dadke, D., Lahori, M., Zou, C., Cairo, C., Reiz, B., Whittal, R. M., Lebrilla, C. B., Wu, L., Guttman, A., Szigeti, M., Kremkow, B. G., Lee, K. H., Sihlbom, C., Adamczyk, B., Jin, C., Karlsson, N. G., Örnros, J., Larson, G., Nilsson, J., Meyer, B., Wiegandt, A., Komatsu, E., Perreault, H., Bodnar, E. D., Said, N., Francois, Y. N., Leize-Wagner, E., Maier, S., Zeck, A., Heck, A. J. R., Yang, Y., Haselberg, R., Yu, Y. Q., Alley, W., Leone, J. W., Yuan, H. & Stein, S. E., 1 Jan 2020, In : Molecular & cellular proteomics : MCP. 19, 1, p. 11-30 20 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Glycosylation
Monoclonal Antibodies
Polysaccharides
Northern Asia
Chemical analysis
2019

4-(3-Aminoazetidin-1-yl)pyrimidin-2-amines as High-Affinity Non-imidazole Histamine H3 Receptor Agonists with in Vivo Central Nervous System Activity

Wágner, G., Mocking, T. A. M., Arimont, M., Provensi, G., Rani, B., Silva-Marques, B., Latacz, G., Da Costa Pereira, D., Karatzidou, C., Vischer, H. F., Wijtmans, M., Kieć-Kononowicz, K., De Esch, I. J. P. & Leurs, R., 1 Nov 2019, In : Journal of Medicinal Chemistry. 19 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Histamine H3 Receptors
Histamine Agonists
Amines
Central Nervous System
Cytochrome P-450 Enzyme System

A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1-Ligand Binding Free Energy Calculation

Rifai, E. A., van Dijk, M., Vermeulen, N. P. E., Yanuar, A. & Geerke, D. P., 11 Sep 2019, In : Journal of Chemical Information and Modeling. p. 4018-4033 16 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Sirtuin 1
Molecular mechanics
mechanic
Free energy
Ligands

Activation Strain Analyses of Counterion and Solvent Effects on the Ion-Pair SN2 Reaction of NH2− and CH3Cl

Savoo, N., Laloo, J. Z. A., Rhyman, L., Ramasami, P., Bickelhaupt, F. M. & Poater, J., 11 Nov 2019, In : Journal of Computational Chemistry. 41, 4, p. 317-327 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Solvent Effect
Nucleophiles
Solvation
Activation
Chemical activation

A decoy-receptor approach using nicotinic acetylcholine receptor mimics reveals their potential as novel therapeutics against neurotoxic snakebite

Albulescu, L. O., Kazandjian, T., Slagboom, J., Bruyneel, B., Ainsworth, S., Alsolaiss, J., Wagstaff, S. C., Whiteley, G., Harrison, R. A., Ulens, C., Kool, J. & Casewell, N. R., 30 Jul 2019, In : Frontiers in Pharmacology. 10, JULY, p. 1-15 15 p., 848.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Snake Bites
Nicotinic Receptors
Acetylcholine
Carrier Proteins
Antivenins

Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors

de Heuvel, E., Singh, A. K., Edink, E., van der Meer, T., van der Woude, M., Sadek, P., Krell-Jørgensen, M. P., van den Bergh, T., Veerman, J., Caljon, G., Kalejaiye, T. D., Wijtmans, M., Maes, L., de Koning, H. P., Jan Sterk, G., Siderius, M., de Esch, I. J. P., Brown, D. G. & Leurs, R., 18 Jun 2019, In : Bioorganic and Medicinal Chemistry. p. 1-15 15 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Trypanosoma brucei brucei
Phosphoric Diester Hydrolases
Parasites
Cyclic Nucleotides
Cytotoxicity

Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2)

de Heuvel, E., Singh, A. K., Boronat, P., Kooistra, A. J., van der Meer, T., Sadek, P., Blaazer, A. R., Shaner, N. C., Bindels, D. S., Caljon, G., Maes, L., Sterk, G. J., Siderius, M., Oberholzer, M., de Esch, I. J. P., Brown, D. G. & Leurs, R., 15 Sep 2019, In : Bioorganic and Medicinal Chemistry. 27, 18, p. 4013-4029 17 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Phosphodiesterase Inhibitors
Parasites
African Trypanosomiasis
Trypanosoma brucei brucei
Trypanosomiasis

A mode-of-action ontology model for safety evaluation of chemicals: Outcome of a series of workshops on repeated dose toxicity

Desprez, B., Birk, B., Blaauboer, B., Boobis, A., Carmichael, P., Cronin, M. T. D., Curie, R., Daston, G., Hubesch, B., Jennings, P., Klaric, M., Kroese, D., Mahony, C., Ouédraogo, G., Piersma, A., Richarz, A. N., Schwarz, M., van Benthem, J., van de Water, B. & Vinken, M., 1 Sep 2019, In : Toxicology in Vitro. 59, p. 44-50 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Chemical Safety
Ontology
Toxicity
Education
Cosmetics

Analysis of Arabidopsis thaliana HKT1 and Eutrema salsugineum/botschantzevii HKT1;2 Promoters in Response to Salt Stress in Athkt1:1 Mutant

Nawaz, I., Iqbal, M., Hakvoort, H. W. J., de Boer, A. H. & Schat, H., 1 Jun 2019, In : Molecular Biotechnology. 61, 6, p. 442-450 9 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Arabidopsis
Salts
Agricultural Crops
Cathode ray tubes
Level control

Analytical chemistry on many-center chiral compounds based on vibrational circular dichroism: Absolute configuration assignments and determination of contaminant levels

Koenis, M. A. J., Tiekink, E. H., van Raamsdonk, D. M. E., Joosten, N. U., Gooijer, S. A., Nicu, V. P., Visscher, L. & Buma, W. J., 20 Dec 2019, In : Analytica Chimica Acta. 1090, p. 100-105 6 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Dydrogesterone
Circular Dichroism
Impurities
pollutant
theoretical study

Antibodies Targeting Chemokine Receptors CXCR4 and ACKR3

Bobkov, V., Arimont, M., Zarca, A., De Groof, T. W. M., van der Woning, B., de Haard, H. & Smit, M. J., 1 Dec 2019, In : Molecular pharmacology. 96, 6, p. 753-764 12 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Single-Domain Antibodies
Chemokine Receptors
G-Protein-Coupled Receptors
Monoclonal Antibodies
Immunoglobulin Fragments

A Photoswitchable Agonist for the Histamine H 3 Receptor, a Prototypic Family A G-Protein-Coupled Receptor

Hauwert, N. J., Mocking, T. A. M., Da Costa Pereira, D., Lion, K., Huppelschoten, Y., Vischer, H. F., De Esch, I. J. P., Wijtmans, M. & Leurs, R., 26 Mar 2019, In : Angewandte Chemie - International Edition. 58, 14, p. 4531-4535 5 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Histamine Agonists
G-Protein-Coupled Receptors
Histamine
Proteins
Chemical activation

Application of three approaches for quantitative AOP development to renal toxicity

Zgheib, E., Gao, W., Limonciel, A., Aladjov, H., Yang, H., Tebby, C., Gayraud, G., Jennings, P., Sachana, M., Beltman, J. B. & Bois, F. Y., 1 Aug 2019, In : Computational Toxicology. 11, p. 1-13 13 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Systems Biology
Toxicity
Kidney
Chronic Renal Insufficiency
Calibration

Approximating one-matrix functionals without generalized Pauli constraints

Gritsenko, O. V. & Pernal, K., 15 Jul 2019, In : Physical Review A. 100, 1, p. 1-6 6 p., 012509.

Research output: Contribution to JournalArticleAcademicpeer-review

functionals
matrices
approximation
occupation
energy

A toolbox of molecular photoswitches to modulate the CXCR3 chemokine receptor with light

Gómez-Santacana, X., De Munnik, S. M., Mocking, T. A. M., Hauwert, N. J., Sun, S., Vijayachandran, P., De Esch, I. J. P., Vischer, H. F., Wijtmans, M. & Leurs, R., 23 Oct 2019, In : Beilstein Journal of Organic Chemistry. 15, p. 2509-2523 15 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Chemokine Receptors
Switches
Ligands
Halogens
Chemokines

Automated partial atomic charge assignment for drug-like molecules: A fast knapsack approach

Engler, M. S., Caron, B., Veen, L., Geerke, D. P., Mark, A. E. & Klau, G. W., 5 Feb 2019, In : Algorithms for Molecular Biology. 14, 1, p. 1-10 10 p., 1.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Knapsack
Drugs
Assignment
Charge
Molecules

A Variational Approach to London Dispersion Interactions without Density Distortion

Kooi, D. P. & Gori-Giorgi, P., 4 Apr 2019, In : Journal of Physical Chemistry Letters. 10, 7, p. 1537-1541 5 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Monomers
Atoms
monomers
interactions
Wave functions

Bioactivity profiling of small-volume samples by nano liquid chromatography coupled to microarray bioassaying using high-resolution fractionation

Zietek, B. M., Still, K. B. M., Jaschusch, K., Bruyneel, B., Ariese, F., Brouwer, T. J. F., Luger, M., Limburg, R. J., Rosier, J. C., Dick, D. J., Casewell, N. R., Somsen, G. W. & Kool, J., 20 Aug 2019, In : Analytical Chemistry. 91, 16, p. 10441-10447 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Bioassay
Liquid chromatography
Microarrays
Fractionation
Bioactivity
Open Access
Histamine H3 Receptors
histamines
Bioluminescence
bioluminescence
Energy Transfer

Carbon monoxide insertion at a heavy p-block element: unprecedented formation of a cationic bismuth carbamoyl

Ramler, J., Poater, J., Hirsch, F., Ritschel, B., Fischer, I., Bickelhaupt, F. M. & Lichtenberg, C., 21 Apr 2019, In : Chemical Science. 10, 15, p. 4169-4176 8 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Bismuth
Carbon Monoxide
X ray analysis
Substrates
Ultraviolet spectroscopy

Catalytic Asymmetric Synthesis of Diketopiperazines by Intramolecular Tsuji-Trost Allylation

Faltracco, M., Cotogno, S., Vande Velde, C. M. L. & Ruijter, E., 20 Sep 2019, In : The Journal of organic chemistry. 84, 18, p. 12058-12070 13 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Diketopiperazines
Allylation
Enantioselectivity
Open Access
Sulfaphenazole
Floxacillin
Cytochrome P-450 CYP3A
Cytochromes
Hydroxylation

Chemokine Receptor Crystal Structures: What Can Be Learned from Them?

Arimont, M., Hoffmann, C., de Graaf, C. & Leurs, R., 1 Dec 2019, In : Molecular pharmacology. 96, 6, p. 765-777 13 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Chemokine Receptors
Drug Discovery
G-Protein-Coupled Receptors
Immune System Diseases
Pathologic Processes

Chemoselectivity of Tertiary Azides in Strain-Promoted Alkyne-Azide Cycloadditions

Svatunek, D., Houszka, N., Hamlin, T. A., Bickelhaupt, F. M. & Mikula, H., 14 Jan 2019, In : Chemistry - A European Journal. 25, 3, p. 754-758 5 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Alkynes
Azides
Cycloaddition
Computational methods
Reaction kinetics

Chiral Discrimination of DL-Amino Acids by Trapped Ion Mobility Spectrometry after Derivatization with (+)-1-(9-Fluorenyl)ethyl Chloroformate

Pérez-Míguez, R., Bruyneel, B., Castro-Puyana, M., Marina, M. L., Somsen, G. W. & Domínguez-Vega, E., 5 Mar 2019, In : Analytical Chemistry. 91, 5, p. 3277-3285 9 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Trapped ions
Spectrometry
Amino Acids
Enantiomers
1-(9-fluorenyl)ethyl chloroformate

Clinical Metabolomics: Expanding the Metabolome Coverage Using Advanced Analytical Techniques

Haselberg, R., Pirok, B. W. J., Gargano, A. F. G. & Kohler, I., Sep 2019, In : LC GC Europe. 32, 9, p. 465-480 16 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Closed-open innovation strategy for autonomous vehicle development

Blankesteijn, M., De Jong, F. & Bossink, B., 7 Mar 2019, In : International Journal of Automotive Technology and Management. 19, 1/2, p. 74-103 30 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Innovation
Railroad cars
Innovation strategy
Open innovation
Automotive industry

Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen

AstraZeneca-Sanger Drug Combination DREAM Consortium, 1 Dec 2019, In : Nature Communications. 10, 1, 2674.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Pharmacogenetics
Drug Combinations
drugs
cancer
predictions
space density
Density functional theory
prototypes
density functional theory
Molecules

Compound Identification Using Liquid Chromatography and High-Resolution Noncontact Fraction Collection with a Solenoid Valve

Jonker, W., de Vries, K., Althuisius, N., van Iperen, D., Janssen, E., ten Broek, R., Houtman, C., Zwart, N., Hamers, T., Lamoree, M. H., Ooms, B., Hidding, J., Somsen, G. W. & Kool, J., 1 Dec 2019, In : SLAS Technology. 24, 6, p. 543-555 13 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Solenoid valves
Liquid chromatography
Liquid Chromatography
Bioactivity
Flow rate

Computational and NMR Studies on the Complexation of Lithium Ion to 8-Crown-4

van der Ham, A., Hansen, T., Lodder, G., Codée, J. D. C., Hamlin, T. A. & Filippov, D. V., 16 Aug 2019, In : ChemPhysChem. 20, 16, p. 2103-2109 7 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Crown Ethers
Complexation
Lithium
ethers
lithium

Computer-aided gradient optimization of hydrophilic interaction liquid chromatographic separations of intact proteins and protein glycoforms

van Schaick, G., Pirok, B. W. J., Haselberg, R., Somsen, G. W. & Gargano, A. F. G., 1 Jan 2019, In : Journal of Chromatography A. 1598, p. 67-76 10 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Hydrophobic and Hydrophilic Interactions
Liquid chromatography
Liquid Chromatography
Glycoproteins
Liquids

Contingent use of rational, intuitive and political decision-making in R&D

Kolbe, L. M., Bossink, B. & de Man, A. P., 2019, (Accepted/In press) In : Management Decision.

Research output: Contribution to JournalArticleAcademicpeer-review

Decision making
Innovation
Decision-making process
Innovation process
Interaction

Correlation-coupling entropy as a measure of strong electron correlation and fragment-conditional density spin polarization as a measure of electron entanglement

Van Meer, R. & Gritsenko, O. V., 27 Sep 2019, In : Physical Review A. 100, 3, p. 1-6 6 p., 032335.

Research output: Contribution to JournalArticleAcademicpeer-review

fragments
entropy
polarization
quantum cryptography
electrons

Covalent inhibition of the histamine H3 receptor

Wágner, G., Mocking, T. A. M., Kooistra, A. J., Slynko, I., Ábrányi-Balogh, P., Keser u, G. M., Wijtmans, M., Vischer, H. F., de Esch, I. J. P. & Leurs, R., 11 Dec 2019, In : Molecules. 24, 24, p. 1-19 19 p., 4541.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Histamine H3 Receptors
histamines
Scaffolds
Ligands
reactivity

CXCR4/AckR3 phosphorylation and recruitment of interacting proteins: Key mechanisms regulating their functional status

Fumagalli, A., Zarca, A., Neves, M., Caspar, B., Hill, S. J., Mayor, F., Smit, M. J. & Marin, P., 1 Dec 2019, In : Molecular pharmacology. 96, 6, p. 794-808 15 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
CXC Chemokines
Chemokine Receptors
G-Protein-Coupled Receptors
Phosphorylation
Post Translational Protein Processing

Deriving Force-Field Parameters from First Principles Using a Polarizable and Higher Order Dispersion Model

Visscher, K. M. & Geerke, D. P., 14 Feb 2019, In : Journal of Chemical Theory and Computation. 15, 3, p. 1875–1883 9 p.

Research output: Contribution to JournalArticleAcademicpeer-review

field theory (physics)
inclusions
Molecular mechanics
Alkanes
Dipole moment

Design, synthesis, and: In vitro and in vivo characterization of 1-{4-[4-(substituted)piperazin-1-yl]butyl}guanidines and their piperidine analogues as histamine H 3 receptor antagonists

Staszewski, M., Stasiak, A., Karcz, T., McNaught Flores, D., Fogel, W. A., Kieć-Kononowicz, K., Leurs, R. & Walczyński, K., Feb 2019, In : MedChemComm. 10, 2, p. 234-251 18 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Guanidines
Histamine
Guanidine
Rats
Histamine Receptors

Design and evaluation of a multiplexed angular-scanning surface plasmon resonance system employing line-laser optics and CCD detection in combination with multi-ligand sensor chips

Lakayan, D., Tuppurainen, J., Eemeli Suutari, T., van Iperen, D. J., Somsen, G. W. & Kool, J., 1 Mar 2019, In : Sensors and Actuators, B: Chemical. 282, p. 243-250 8 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Laser optics
Surface plasmon resonance
surface plasmon resonance
Charge coupled devices
charge coupled devices

Designing Self-Assembled Rosettes: Why Ammeline is a Superior Building Block to Melamine

Petelski, A. N. & Fonseca Guerra, C., Feb 2019, In : ChemistryOpen. 8, 2, p. 135-142 8 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Hydrogen bonds
Supramolecular chemistry
Molecular orbitals
Discrete Fourier transforms
Density functional theory

Development of a neurotoxicity assay that is tuned to detect mitochondrial toxicants

Delp, J., Funke, M., Rudolf, F., Cediel, A., Bennekou, S. H., van der Stel, W., Carta, G., Jennings, P., Toma, C., Gardner, I., van de Water, B., Forsby, A. & Leist, M., 1 Jan 2019, In : Archives of Toxicology. 93, 6, p. 1585-1608 24 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Galactose
Assays
Electron Transport
Toxicity
Electron Transport Complex I

Diels-Alder reactivities of cycloalkenediones with tetrazine

Levandowski, B. J., Hamlin, T. A., Eckvahl, H. J., Bickelhaupt, F. M. & Houk, K. N., Feb 2019, In : Journal of Molecular Modeling. 25, 2, p. 1-5 5 p., 33.

Research output: Contribution to JournalArticleAcademicpeer-review

Coulomb interactions
Cycloparaffins
reactivity
electrostatics
interactions

Discovery of novel Schistosoma mansoni PDE4A inhibitors as potential agents against schistosomiasis

Sebastián-Pérez, V., Schroeder, S., Munday, J. C., Van Der Meer, T., Zaldívar-Díez, J., Siderius, M., De Koning, H. P., Brown, D., Martínez, A., Campillo, N. E., Leurs, R. & Gil, C., 1 Jan 2019, In : Future Medicinal Chemistry. 11, 14, p. 1703-1720 18 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Schistosoma mansoni
Schistosomiasis
Phosphoric Diester Hydrolases
Small Molecule Libraries
Cyclic Nucleotides
Open Access
Creativity
Self Efficacy
Workplace
Employee creativity
Efficacy

Dual Activation of Aromatic Diels–Alder Reactions

Narsaria, A. K., Hamlin, T. A., Lammertsma, K. & Bickelhaupt, F. M., 25 Jul 2019, In : Chemistry - A European Journal. 25, 42, p. 9902-9912 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Chemical activation
Benzene
Cycloaddition
Molecular orbitals
Discrete Fourier transforms

Dynamic Conformational Behavior in Stable Pentaorganosilicates

van der Boon, L. J. P., Hendriks, J. H., Roolvink, D., O'Kennedy, S. J., Lutz, M., Slootweg, J. C., Ehlers, A. W. & Lammertsma, K., 31 Jul 2019, In : European Journal of Inorganic Chemistry. 2019, 28, p. 3318-3328 11 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Silicates
Ligands
Discrete Fourier transforms
Phosphorus
Nuclear magnetic resonance spectroscopy