Publikationen

Als Forschungsinstitut nehmen wir unseren gesellschaftlichen Auftrag zum Wissensbeitrag im Bereich computergestützter Lösung naturwissenschaftlicher, fachdidaktischer und mediendidaktischer Themenstellungen ernst.

Daher sind unsere Mitarbeiter auf verschiedensten Gebieten der aktuellen Grundlagenforschung und im Rahmen internationaler Kollaborationsprojekte mit Hochschulen und privaten Einrichtungen aktiv.

Wissenschaftliche Journalartikel

2023

  • H.-C. Siebert, T. Eckert, A. Bhunia, N. Klatte, M. Mohri, S. Siebert, A. Kozarova, J. W. Hudson, R. Zhang, N. Zhang, L. Li, K. Gousias, D. Kanakis, M. Yan, J. Jiménez-Barbero, T. Kožár, N. E. Nifantiev, C. Vollmer, T. Brandenburger, D. Kindgen-Milles, T. Haak, and A. K. Petridis, Blood pH Analysis in Combination with Molecular Medical Tools in Relation to COVID-19 Symptoms, Biomedicines., 11, 1421, 2023

2021

  • T. Eckert, J. von Cosel, B. Kamps, H.-C. Siebert, R. Zhang, N. Zhang, K. Gousias, A. K. Petridis, D. Kanakis, and K. Falahati, Evidence for Quantum Chemical Effects in Receptor-Ligand Binding Between Integrin and Collagen Fragments – A Computational Investigation With an Impact on Tissue Repair, Neurooncolgy and Glycobiology, Front. Mol. Biosci., 8, 756701, 2021
  • T. Eckert, M. Jährling-Butkus, H. Louton, M. Burg-Roderfeld, R. Zhang, N. Zhang, K. Hesse, A. K. Petridis, T. Kožár, J. Steinmeyer, R. Schauer, P. Engelhard, A. Kozarova, J. Hudson, H.-C. Siebert, Efficacy of chondroprotective food supplements based on collagen hydrolysate and compounds isolated from marineorganisms, Mar. Drugs, 19, 542, 1-30, 2021

2020

  • C. Hamerla, C. Neumann, K. Falahati, J. von Cosel, L. J. G. W. van Wilderen, M. S. Niraghatam, D. Kern-Michler, N. Mielke, M. Reinfelds, A. Rodrigues-Correia, A. Heckel, J. Bredenbeck, and I. Burghardt, Photochemical mechanism of DEACM uncaging: a combined time-resolved spectroscopic and computational study, Phys. Chem. Chem. Phys., 22, 13418, 2020

2019

  • R. Zhang, L. Jin, N. Zhang, A. K. Petridis, T. Eckert, G. Scheiner-Bobis, M. Bergmann, A. Scheidig, R. Schauer, M. Yan, S. A. Wijesundera, B. Nordén, B. K. Chatterjee, and H.-C. Siebert, The Sialic Acid-Dependent Nematocyst Discharge Process in Relation to Its Physical-Chemical Properties Is a Role Model for Nanomedical Diagnostic and Therapeutic Tools, Marine Drugs, 17, 469, 2019
  • T. Eckert, S. Goericke-Pesch, C. Heydel, M. Bergmann, J. Kauffold, K. Failing, and A. Wehrend, Interaction of different Chlamydiae species with bovine spermatozoa, BMC Microbiol., 19, 23, 2019
  • R. Zhang, N. Zhang, M. Mohri, L. Wu, T. Eckert, V. B. Krylov, A. Antosova, S. Ponikova, Z. Bednarikova, P. Markart, A. Günther, B. Norden, M. Billeter, R. Schauer, A. J. Scheidig, B. N. Ratha, A. Bhunia, K. Hesse, M. A. Enani, J. Steinmeyer, A. K. Petridis, T. Kozar, Z. Gazova, N. E. Nifantiev, and H.-C. Siebert, Nanomedical Relevance of the Intermolecular Interaction Dynamics-Examples from Lysozymes and Insulins, ACS Omega, 4, 4206, 2019

2018

  • K. Falahati, H. Tamura, I. Burghardt, and M. Huix-Rotllant, Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics, Nat. Commun., 9, 4502, 2018
  • D. Kern-Michler, C. Neumann, N. Mielke, L. van Wilderen, M. Reinfelds, J. von Cosel, I. Burghardt, A. Heckel, and J. Bredenbeck, Controlling photochemistry via isotopomers and vibrational pre-excitation, J. Am. Chem. Soc., 140, 926, 2018
  • A. Lukin, J. Kramer, M. Hartmann, L. Weizel, V. Hernandez-Odlmos, K. Falahati, I. Burghardt, N. Kalinchenkova, D. Bagnyukova, N. Zhurilo, J. Rautio, M. Forsberg, J. Ihalainen, S. Auriola, J. Leppaenen, I. Konstantinov, D. Pogoryelov, E. Proschak, D. Darin, M. Krasavin, Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase, Bioorg. Chem., 80, 655, 2018
  • M. Reinfelds, J. von Cosel, K. Falahati, C. Hamerla, T. Slanina, I. Burghardt, and A. Heckel, A new photocage derived from fluorene, Chem. Eur. J., 24, 13026, 2018
  • K. Falahati, C. Hamerla, M. Huix-Rotllant, and I. Burghardt,Ultrafast photochemistry of free-base porphyrin: A theoretical investigation of B-Q internal conversion mediated by dark states, Phys. Chem. Chem. Phys., 20, 12483, 2018
  • C. A. Hammer, K. Falahati, A. Jacob, R. Klimek, I. Burghardt, A. Heckel, and J. Wachtveitl, Sensitized Two-Photon Activation of Coumarin Photocages, J. Phys. Chem. Lett., 9, 1448, 2018

2017

  • J. von Cosel, J. Cerezo, D. Kern-Michler, C. Neumann, L. van Wilderen, J. Bredenbeck, F. Santoro, and I. Burghardt, Vibrationally resolved electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy, J. Chem. Phys., 147, 164116, 2017
  • R. Zhang, L. Wu, T. Eckert, M. Burg-Roderfeld, M.A. Rojas-Macias, T. Lütteke, V.B. Krylov, D.A. Argunov, A. Datta, P. Markart, A. Guenther, B. Norden, R. Schauer, A. Bhunia, M.A. Enani, M. Billeter, A.J. Scheidig, N.E. Nifantiev, and H.-C. Siebert, Lysozyme’s lectin-like characteristics facilitates its immune defense function, Q. Rev. Biophys., 50, 9, 2017

2016

  • R. Zhang, G. Loers, M. Schachner, R. Boelens, H. Wienk, S. Siebert, T. Eckert, S. Kraan, M. A. Rojas-Macias, T. Lütteke, S. P. Galuska, A. Scheidig, A. K. Petridis, S. Liang, M. Billeter, R. Schauer, J. Steinmeyer, J.-M. Schröder, and H.-C. Siebert, Molecular Basis of the Receptor Interactions of Polysialic Acid (polySia), polySia Mimetics, and Sulfated Polysaccharides, ChemMedChem, 11, 990, 2016
  • R. Zhang, T. Eckert, T. Lutteke, S. Hanstein, A. Scheidig, A. M. J. J. Bonvin, N. E. Nifantiev, T. Kozar, R. Schauer, M. Abdulaziz Enani, and H.-C. Siebert, Structure-Function Relationships of Antimicrobial Peptides and Proteins with Respect to Contact Molecules on Pathogen Surfaces, Curr. Top. Med. Chem., 16, 89, 2016

2015

  • T. R. M. Barends, L. Foucar, A. Ardevol, K. Nass, A. Aquila, S. Botha, R. B. Doak, K. Falahati, E. Hartmann, M. Hilpert, M. Heinz, M. C. Hoffmann, J. Koefinger, J. E. Koglin, G. Kovacsova, M. Liang, D. Milathianaki, H. Lemke, J. Reinstein, C. M. Roome, R. L. Shoeman, G. J. Williams, I. Burghardt, G. Hummer, S. Boutet, and I. Schlichting, Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation, Science, 350, 445, 2015
  • H.-C. Siebert, R. Zhang, A. Scheidig, T. Eckert, H. Wienk, R. Boelens, M. Mahvash, A. K. Petridis, and R. Schauer, Interaction Studies of Sialic Acids with Model Receptors Contribute to Nanomedical Therapies, J. Neurol. Disord., 3, 1, 2015

2014

  • F. Meyer‐Wegner, J. H. Wender, K. Falahati, T. Porsch, T. Sinke, M. Bolte, M. Wagner, M. C. Holthausen, and H.-W. Lerner, Electrocyclic Reactions of Siloles: A Combined Experimental and Theoretical Study, Chem. Eur. J., 20, 4681, 2014

2013

  • T. Eckert, J. Kauffold, and A. Wehrend, Investigations into interactions between Chlamydia and bull sperm, Reprod. Biol., 13, 14, 2013

2012

  • S. Stötzel, M. Schurink, H. Wienk, U. Siebler, M. Burg‐Roderfeld, T. Eckert, B. Kulik, R. Wechselberger, J. Sewing, J. Steinmeyer, S. Oesser, R. Boelens, and H.‐C. Siebert, Molecular Organization of Various Collagen Fragments as Revealed by Atomic Force Microscopy and Diffusion‐Ordered NMR Spectroscopy, ChemPhysChem, 13, 3117, 2012
  • T. Eckert, S. Stötzel, M. Burg-Roderfeld, J. Sewing, T. Lütteke, N. E. Nifantiev, J. F. G. Vliegenthart, and H.-C. Siebert, In silico Study on Sulfated and Non-Sulfated Carbohydrate Chains from Proteoglycans in Cnidaria and Interaction with Collagen, O. J. Phys. Chem., 2, 123, 2012

2010

  • H.-C. Siebert, M. Burg-Roderfeld, T. Eckert, S. Stötzel, U. Kirch, T. Diercks, M. J. Humphries, M. Frank, R. Wechselberger, E. Tajkhorshid, and S. Oesser, Interaction of the α2A domain of integrin with small collagen fragments, Protein Cell, 1, 393, 2010
  • A. Bhunia, S. Vivekanandan, T. Eckert, M. Burg-Roderfeld, R. Wechselberger, J. Romanuka, D. Bächle, A. V. Kornilov, C.-W. von der Lieth, J. Jiménez-Barbero, N. E. Nifantiev, M. Schachner, N. Sewald, T. Lütteke, and H.-C. Siebert, Why Structurally Different Cyclic Peptides Can Be Glycomimetics of the HNK-1 Carbohydrate Antigen, J. Am. Chem. Soc., 132, 96 2010

2009

  • H.-C. Siebert, S.-Y. Lu, R. Wechselberger, K. Born, T. Eckert, S. Liang, C.-W. von der Lieth, J. Jiménez-Barbero, R. Schauer, J. F. G. Vliegenthart, T. Lütteke, and T. Kožár, A lectin from the Chinese bird-hunting spider binds sialic acids, Carbohyd. Res., 344, 1515 2009
  • K. A. Hose, K. Häffner, D. Fietz, J. Gromoll, T. Eckert, S. Kliesch, H.-C. Siebert, and M. Bergmann, A novel sequence variation in the transactivation regulating domain of the human androgen receptor, Fertil. Steril., 92, 390e9, 2009

2000

  • J. Ipaktschi, R. Hosseinzadeh, P. Schlaf, and T. Eckert, Selbstorganisation von Chinodimethanen über kovalente Bindungen, Mitteilung III , Untersuchungen zur Herstellung von Nanostrukturen, Helv. Chem. Acta., 83, 1224, 2000

1999

  • D. Thoenges, E. Amler, T. Eckert, and W. Schoner,Tight Binding of Bulky Fluorescent Derivatives of Adenosine to the Low Affinity E2ATP Site Leads to Inhibition of Na+/K+ ATPase, J. Biol. Chem., 274, 1971, 1999

1998

  • T. Eckert, and J. Ipaktschi, Synthesis of Polycylic Aromatic Heterocyclic Compounds via Thermal Isomerizations of 1,8-Diarylethynylnaphthalenes, J. Monatshefte fuer Chemie, 129, 1035, 1998
  • T. Eckert, and J. Ipaktschi, A New Method for Synthesis of Methyl Arylpropiolates by Direct Heck Coupling of Aryl Iodide and Methyl Propiolate in Presence of K2CO3, Synth. Comm., 28, 327, 1998

1995

  • J. Ipaktschi, and T. Eckert, LiClO4‐Promoted Addition of Alkyl Grignard and Alkynyllithium Reagents to Ketones. Comparison of a 5 M LiClO4/Diethyl Ether Solution with CeCl3, Chem. Ber., 128, 1171, 1995

Monografien

  • J. von Cosel, Simulation and Optimization of VIPER Uncaging, Dissertation, 2018
  • K. Falahati, Photochemistry of Porphyrin and Coumarin Systems, Dissertation, 2018
  • T. Eckert, Mechanistische Studien der thermischen Cyclisierungsreaktion von mehrfach alkinylierten aromatischen Systemen; Präparative, kinetische und computergestützte Untersuchungen, Dissertation, 2006