Bernd Michael Rode

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Bernd Michael Rode

Bernd Michael Rode (born July 14, 1946 in Innsbruck ) is an Austrian chemist and university professor at the University of Innsbruck . In 2011 Rode retired, but despite his retirement he continues to work as a professor, researcher and supervisor of scientific work.

Live and act

Rode graduated from the Akademisches Gymnasium Innsbruck in 1964 and studied chemistry at the University of Innsbruck from 1964 to 1973. In 1973 he received his doctorate philosophiae sub auspiciis praesidentis and began his university assistantship at the Institute for Inorganic and Analytical Chemistry at the University of Innsbruck. After research stays at the University of Stuttgart in 1974 and the University of Karlsruhe in 1975, he completed his habilitation at the University of Innsbruck in 1976 . After another research stay at the University of Tokyo in 1978, Bernd Michael Rode was appointed university professor in 1979. From 1979 to 2011 he was a professor at the Institute for General, Inorganic and Theoretical Chemistry, and headed the same from 2006–2011.

One of the most important achievements of Bernd Michael Rode was the founding of the Austrian South East Asian University Partnership Network (ASEA-UNINET) in 1994, which now connects more than 70 different universities from 16 European and South-East Asian countries.

From 1998 to 2001 and from 2005 to 2008 Rode served as Vice President of the UN Commission for Science and Technology Development (UNCSTD) and represented the EU, USA, Canada and Australia. In 2004 he was also the first Austrian to be appointed President of the UN Commission on Science and Technology for Development (UNCSTD).

Awards and honors

In recognition of his significant scientific and educational achievements, Rode was awarded numerous awards and medals. These include four honorary doctorates from the universities of Chulalongkorn (Thailand) in 1995, the King Mongkut Institute of Technology (Thailand) in 1995, Gadjah Mada University (Indonesia) in 2000 and the Comenius University in Bratislava in 2008. The The Republic of Austria awarded him the Golden Decoration of Honor of the Republic of Austria in 1985 , the Cross of Honor for Science and Art in 1994 and the First Class Cross of Merit in Science and Art of the Republic of Austria in 2007.

For his decades of exceptionally successful activities to intensify European-Asian scientific cooperation, Rode received the "Great Knight's Cross 1st Class on Ribbon of the Order of the Thai Crown " from King Bhumibol of Thailand in 2007 and in 2011 the Great Knight's Cross 1st Class on the ribbon of the Thai Order of the White Elephant . In 2014 Rode was appointed honorary president of ASEA-UNINET.

Research activities

His main research areas are theoretical chemistry, computational chemistry and bioinorganic chemistry. His publications deal with the following research topics, among others:

  • Quantum chemical calculations of molecular and supermolecular systems
  • Ab initio Monte Carlo and MD simulations of the fluids / solutions
  • QMCF MD methodology
  • Structure of electrolyte solutions and ultrafast dynamics
  • Molecular modeling of biomolecules and drugs
  • QSAR, QSPR
  • Chemical evolution of peptides / proteins and origin of life

Theoretical chemistry

Example of a QM / MM simulation of tin (II) in aqueous solution by Rode et al. Oxygen atoms of the molecules of the first hydration shell are marked in red. The influence of the lone pair of electrons of the tin (II) ion on hydration can be clearly seen.

Initially, Bernd Rode's research activities were in the field of inorganic chemistry, but he was also able to establish his expertise in the rapidly developing field of theoretical chemistry and computational chemistry . While quantum mechanical studies of a large number of chemical systems were in the foreground at the beginning, more recently the focus has been on the application of chemical simulation techniques such as Monte Carlo and molecular dynamics, with a particular focus on the chemistry of aqueous solutions.

The development and application of combined quantum mechanical / molecular mechanical (QM / MM) simulation methods for aqueous systems played a special role in Bernd Rode's research activities. In 2004 Bernd Rode and his working group developed the “Quantum Mechanical Charge Field Molecular Dynamics” procedure, an improved QM / MM approach that was specially developed for the treatment of solvated systems. This novel simulation method made it possible to carry out accurate simulation studies of both ionic and organic compounds as well as coordination compounds in aqueous solution. His most recent research deals with the lanthanide ions in aqueous solution.

Chemical evolution

Structure of the SIPF complex with a chelating and an 'end-on' coordinating glycine ligand, a chloride ligand and two axial water molecules.

Another central research area of ​​Bernd Rode is in the field of bioinorganic chemistry, primarily in the area of ​​chemical evolution. In the late 1980s discovered Bernd Rode the salt-induced peptide-forming reaction (salt formation induced peptide, SIPF) a synthetic monomeric under conditions prebiotic amino acids to link to peptides. Instead of an enzyme, transition metal ions act as a catalyst for peptide formation in concentrated aqueous sodium chloride solution, with copper (II) having the highest catalytic activity. In order to simulate day / night cycles on sea coasts or bays, these experiments are carried out in the form of evaporation cycles. Since the resulting supersaturated solutions tend to dilute, the thermodynamically as well as kinetically unfavorable petid formation reaction is catalyzed. Based on the research, the properties of the SIPF reaction could be characterized under various conditions and a possible connection with the phenomenon of biohomochirality could be shown.

In addition, experiments were carried out in Bernd Rode Miller-Urey's group that take into account new findings on the composition of the primordial atmosphere. It was shown that peptides also form in a neutral atmosphere (CO 2 / N2 / H 2 O) under the influence of electrical discharge.

Molvision

Together with his doctoral student Hung Trung Tran, Bernd Rode developed the visualization program "Molvision", which enables an interactive analysis of chemical simulations. In 2003 Tran received a European Innovation Award for developing this program.

Publications

  • Hofer, Thomas; Pribil, Andreas; Randolf, Bernhard; Rode, Bernd M. (2005); Structure and dynamics of solvated Sn (II) in aqueous solution - an ab initio QM / MM MD approach , In: J. Am. Chem. Soc . 2005, 127 (41), pp. 14231-14238. doi: 10.1021 / ja052700f .
  • Tongraar, A .; Liedl, KR; Rode, Bernd M. (1997); Solvation of Ca2 + In Water Studied By Born-Oppenheimer Ab-Initio QM / MM Dynamics ; In: J. Phys. Chem . A 1997, 101 (35), pp. 6299-6309, doi: 10.1021 / jp970963t .
  • Rode, Bernd M .; Schwenk, Christian F., Tongraar, Anan (2004); Structure and Dynamics of Hydrated Ions - New Insights through Quantum Mechanical Simulation ; In: J. Mol. Liq . 2004, 110 (1-3), pp. 105-122. doi: 10.1016 / j.molliq.2003.09.016 .
  • Rode, Bernd M .; Schwenk, Christian; Hofer, Thomas; Randolf, Bernhard (2005); Coordination and ligand exchange dynamics of solvated metal ions ; In: Coord Chem Rev . 2005, 249 (24), pp. 2993-3006. doi: 10.1016 / j.ccr.2005.03.032 .
  • Rode, Bernd M .; Hofer, Thomas (2006); "How to Access Structure and Dynamics of Solutions: The Capabilities of Computational Methods," Pure Appl. Chem. 2006, 78 (3), pp. 525-539. doi: 10.1351 / pac200678030525 .
  • Rode, Bernd M .; Hofer, Thomas; Randolf, Bernhard; Schwenk, Christian; Xenides, Demetrios; Vchirawongkwin, Viwat (2006); "Ab initio Quantum Mechanical Charge Field (QMCF) Molecular Dynamics - A QM / MM - MD Procedure for Accurate Simulations of Ions and Complexes"; Theor. Chem. Acc. 2006, 115 (2-3), pp. 77-85. doi: 10.1007 / s00214-005-0049-1 .
  • Hofer, Thomas S .; Randolf, Bernhard R .; Rode, Bernd M. (2008); "Molecular Dynamics Simulation Methods including Quantum Effects"; In: Solvation Effects on Molecules and Biomolecules, Canuto, Sylvio (Eds.), ISBN 978-1-4020-8269-6 , Springer, Heidelberg 2008, pp. 247-278.
  • Rode, Bernd M .; Hofer, Thomas S .; Pribil, Andreas B .; Randolf, Bernhard R. (2010); "Simulations of Liquids and Solutions Based on Quantum Mechanical Forces"; In: Theoretical and Computational Inorganic Chemistry, van Eldik, Rudi; Harvey, Jeremy (Eds.), ISBN 978-0-12-380874-5 , Elsevier, Amsterdam 2010, pp. 143-175.
  • Hofer, Thomas S .; Pribil, Andreas B .; Randolf, Bernhard R .; Rode, Bernd M .; "Ab Initio Quantum Mechanical Charge Field Molecular Dynamics - A Nonparametrized First-Principle Approach to Liquids and Solutions"; In: Advances in Quantum Chemistry, Sabin, John R .; Brändas, Erkki (Eds.), ISBN 978-0-12-380898-1 , Elsevier, Amsterdam 2010, pp. 213-246.
  • Lutz, Oliver MD; Messner, Christoph B .; Hofer, Thomas S .; Glätzle, Matthias; Huck, Christian W .; Bonn, Günther K .; Rode, Bernd M .; "Combined Ab Initio Computational and Infrared Spectroscopic Study of the cis- and trans-Bis (glycinato) copper (II) Complexes in Aqueous Environment"; J. Phys. Chem. Lett. 2013, 4, pp. 1502-1506. doi: 10.1021 / jz400288c .
  • Jakschitz, Thomas; Fitz, Daniel; Rode, Bernd Michael (2012); "The origin of first peptides on earth: from amino acids to homochiral biomolecules"; In: Genesis - In The Beginning, Joseph Seckbach (Eds.), ISBN 978-94-007-2940-7 , Springer, Dordrecht 2012, pp. 469-489.
  • Schwendinger, MG; Rode, Bend M. (1998); Possible Role of Copper and Sodium Chloride in Prebiotic Evolution of Peptides . In: Analytical Sciences , 1989, 5 (4), pp. 411-414. doi: 10.2116 / analsci.5.411 .
  • Schwendinger, MG; Rode, Bend M. (1990); "Copper-Catalyzed Amino Acid Condensation in Water - A Simple Possible Way of Prebiotic Peptide Formation"; Origins Life Evol. Biosphere 1990, 20 (5), pp. 401-410. doi: 10.1007 / BF01808134 .
  • Rode, Bernd M .; Plankensteiner, Kristof (2013); "Prebiotic Peptides"; In: Handbook of Biologically Active Peptides, Second Edition, Abba J. Kastin (Eds.), ISBN 978-0-12-385095-9 , Elsevier, Amsterdam 2013, pp. 1899-1903.
  • Jakschitz, Thomas A .; Rode, Bernd M. (2012); "Chemical Evolution from simple inorganic compounds to chiral peptides"; Chem. Soc. Rev. 2012, 41 (16), pp. 5484-5489. doi: 10.1039 / C2CS35073D .
  • Fitz, Daniel; Jakschitz, Thomas; Rode, Bernd M. (2011); "Salt-Induced Peptide Formation in Chemical Evolution: Building Blocks Before RNA - Potential of Peptide Splicing Reactions"; In: Origins of Life: The Primal Self-Organization, Egel, Richard; Lankenau, Dirk-Henner; Mulkidjanian, Armen Y. (Eds.), ISBN 978-3-642-21624-4 , Springer, Heidelberg, Berlin 2011, pp. 109–127.
  • Fitz, Daniel; Reiner, Hannes; Rode, Bernd M. (2007); "Chemical evolution toward the origin of life"; Pure Appl. Chem. 2007, 79 (12), pp. 2101-2117. doi: 10.1351 / pac200779122101 .
  • Plankensteiner, Kristof; Reiner, Hannes; Schranz, Benjamin; Rode, Bernd M. (2004); "Prebiotic formation of amino acids in a neutral atmosphere by electric discharge"; Angew. Chem., Int. Ed. 2004, 43, pp. 1886-1888. doi: 10.1002 / anie.200353135 .

Web links

Individual evidence

  1. ↑ Leopold Franzens University Innsbruck: University life: Thanks and congratulations 2011: Bernd M. Rode , p. 22, December 2011, accessed on June 15, 2014.
  2. ↑ Foreign Ministry Austria: Bilateral Relations with Thailand , accessed on June 16, 2014.
  3. ↑ Austrian Agency for International Mobility and Cooperation in Education, Science and Research (OeAD): ASEA UNINET ( Memento of the original from July 14, 2014 in the Internet Archive ) Info: The archive link was inserted automatically and has not yet been checked. Please check the original and archive link according to the instructions and then remove this notice. , accessed June 16, 2014.  @1@ 2Template: Webachiv / IABot / www.oead.at
  4. ^ University of Innsbruck: Univ.-Prof. Dr. Bernd Michael Rode President of the UNCSTD . Published by: iPoint - the information portal of the University of Innsbruck, June 9, 2004, accessed on June 16, 2014.
  5. ↑ Comenius University Bratislava: Prof. Dr. Bernd Michael Rode, Dr. hc ( Memento of October 22, 2014 in the Internet Archive ), December 15, 2010, accessed on June 16, 2014.
  6. ^ University of Innsbruck: Successful doctoral supervisor, published by: iPoint - the information portal of the University of Innsbruck, February 1, 2013, accessed on June 16, 2014.
  7. ↑ University of Innsbruck: Innsbruck chemist receives royal honor . Published by: iPoint - the information portal of the University of Innsbruck, November 13, 2007, accessed on June 16, 2014.
  8. ↑ Hofer, Thomas; Pribil, Andreas; Randolf, Bernhard; Rode, Bernd M .: Structure and dynamics of solvated Sn (II) in aqueous solution - an ab initio QM / MM MD approach , J. Am. Chem. Soc. 2005, 127 (41), pp. 14231-14238. doi: 10.1021 / ja052700f
  9. ↑ Jakschitz, Thomas; Fitz, Daniel; Rode, Bernd Michael (2012); "The origin of first peptides on earth: from amino acids to homochiral biomolecules"; In: Genesis - In The Beginning, Joseph Seckbach (Eds.), ISBN 978-94-007-2940-7 , Springer, Dordrecht 2012, pp. 469-489.
personal data
SURNAME Rode, Bernd Michael
BRIEF DESCRIPTION Austrian chemist and university professor at the University of Innsbruck
DATE OF BIRTH July 14, 1946
PLACE OF BIRTH innsbruck