Solvation Science @ RUB
RUB » Publications 2010 » Solvation Science RUB

2010

236. M. Parac, M. Doerr, C. M. Marian, W. Thiel, QM/MM Calculation of Solvent Effects on Absorption Spectra of Guanine. J. Comput. Chem. 31, 90 (2010).
235. W. Schmidt, P. Bussian, M. Lindén, H. Amenitsch, P. Agren, M. Tiemann, F. Schüth, Accessing ultrashort reaction times in particle formation with SAXS experiments: ZnS precipitation on the microsecond time scale. J. Am. Chem. Soc. 132, 6822 (2010).
234. C.J. Jia, L. Yong, H. Bongard, F. Schüth, Very low temperature CO oxidation over colloidally deposited gold nanoparticles on Mg(OH)2 and MgO. J. Am. Chem. Soc. 132, 1520 (2010).
233. A. Mardyukov, R. Crespo-Otero, E. Sanchez-Garcia, W. Sander, Photochemistry and Reactivity of the Phenyl Radical-Water System: A Matrix Isolation and Computational Study, Chem. Eur. J., 16, 8679 (2010).
232. D. Grote, Ch. Finke, S. Kossmann, F. Neese, W. Sander, 3,4,5,6-Tetrafluorophenylnitren-2-yl: A Ground-State Quartet Triradical. Chem. Eur. J. 16, 4496 (2010).
231. R. Rinaldi, N. Meine, J. vom Stein, R. Palkovits, F. Schüth, Which Controls the Depolymerization of Cellulose in Ionic Liquids: The Solid Acid Catalyst or Cellulose? ChemSusChem. 3, 266 (2010).
230. G. Jäger, Z. Wu, K. Garschhammer, P. Engel, T. Klement, R. Rinaldi, A. Spiess, J. Büchs, Practical screening of purified cellobiohydrolases and endoglucanases with alpha-cellulose and specification of hydrodynamics. Biotechnol. Biofuels 3, 18 (2010).
229. N. Meine, F. Benedito, R. Rinaldi, Thermal stability of ionic liquids assessed by potentiometric titration. Green Chem. 12, 1711 (2010).
228. R. Rinaldi, P. Engel, J. Büchs, A. C. Spiess, F. Schüth, An integrated catalytic approach to fermentable sugars from cellulose. ChemSusChem. 3, 1151 (2010).
227. L. Huang, P. Noeres, M. Petermann, C. Doetsch, Experimental study on heat capacity of paraffin/ water phase change emulsion. Energ. Convers. Manage. 51, 1264 (2010).
226. S. Pollak, M. Petermann, S. Kareth, A. Kilzer, Manufacturing of pulverised Nanocomposites– Dosing and dispersion of additives by the use of supercritical carbon dioxide. J. Supercrit. Fluids 53, 137 (2010).
225. S. Schimpf, A. Rittermeier, X. Zhang, Z. Li, M. Spasova, M. van den Berg, M. Farle, Y. Wang, R. Fischer, M. Muhler, Stearate-Based Cu Colloids in Methanol Synthesis: Structural Changes Driven by Strong Metal-Support Interactions. Chem. Cat. Chem. 2, 214 (2010).
224. B. Graf, H. Schulte, M. Muhler, The Formation of Methane over Iron Catalysts Applied in Fischer- Tropsch Synthesis: A Transient and Steady State Kinetic Study. J. Catal. 276, 66 (2010).
223. A. Babai, S. Pitula, A.-V. Mudring, Ligand Exchange in Ionic Liquids, Eur. J. Inorg. Chem. 31, 4993 (2010)
222. E. Boroqqs, M. J. Earle, M.A. Gilea, Al J. Robertson, K.R. Seddon, A.Tomaszowska,J. Vyle, F. Rieger, L. Trusov, A.-V. Mudring, On the dissolution of non-metalic elements (S, Se, Te and P) in
ionic liquids. Chem. Commun. 46, 716 (2010).
221. X. Wang, F. W. Heinemann, M. Yang, B. Melcher, M. Fekete, A.-V. Mudring, P. Wasserscheid, K. Meyer, Double alkyl-substituted, liquid crystalline imidazolium ionic liquids – new structural features, viscosity effects and thermal properties. Chem. Commun. 7405 (2009).
220. M. Mehlhorn, H. Gawronski, K. Morgenstern, Non-adiabatic attraction of repelling molecules revealed by fs-STM, Phys. Rev. Lett. 104, 076101 (2010).
219. H. Gawronski, M. Mehlhorn, K. Morgenstern, Real-Space investigation of non-adiabtic CO2 synthesis, Angew. Chemie Int. Ed. 49, 5913 (2010).
218. D. Marx, A. Chandra, M.E. Tuckerman, Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion and Comparison to the Hydrated Proton. Chem. Rev. 110, 2174 (2010).
217. S. D. Ivanov, O. Asvany, A. Witt, E. Hugo, G. Mathias, B. Redlich, D. Marx , S. Schlemmer, Quantum-induced symmetry breaking explains infrared spectra of CH5 + isotopologues. Nat. Chem. 2, 298 (2010).
216. M.-E. Pandelia, V. Fourmond, P. Tron-Infossi, E. Lojou, P. Bertrand, C. Léger, M.-Th. Giudici- Orticoni, W. Lubitz, The membrane-bound hydrogenase I from the hyperthermophilic bacterium Aquifex aeolicus: Enzyme activation, redox intermediates and oxygen tolerance J. Am. Chem. Soc. 132, 6991-7004 (2010).
215. N. Cox, H. Ogata, P. Stolle, E. Reijerse, G. Auling, W. Lubitz, A Tyrosyl-Dimanganese Coupled Spin System is the Native Metalloradical Cofactor of the R2F subunit of the Ribonucleotide Reductase of Corynebacterium ammoniagenes. J. Am Chem. Soc. 132, 11197-11213 (2010).
214. O. Lifchits, C.M. Reisinger, B. List, Catalytic Asymmetric Epoxidation of α-Branched Enals. J. Am. Chem. Soc. 132, 10227 (2010).
213. B. List, Emil Knoevenagel and the Roots of Aminocatalysis. Angew. Chem. Int. Ed. 49,1730 (2010).
212. I. Coric, S. Vellalath, B. List, Catalytic Asymmetric Transacetalization. J. Am. Chem. Soc. 132, 8536 (2010).
211. I. C. Rosnizeck, T. Graf, M. Spoerner, J. Tränkle, D. Filchtinski, C. Herrmann, L. Gremer, I. R. Vetter, A. Wittinghofer, B. König, H. R. Kalbitzer, Stabilizing a weak binding state for effectors in the human ras protein by cyclen complexes. Angew. Chem. Int. Ed. 49, 3830 (2010).
210. C. Bee, A. Moshnikova, C. D. Mellor, JE. Molloy, Y. Koryakina, B. Stieglitz, A. Khokhlatchev, C. Herrmann, Growth and tumor suppressor NORE1A is a regulatory node between Ras signaling and microtubule nucleation. J. Biol. Chem. 285, 16258 (2010).
209. D. Constantinescu, C. Herrmann, H. Weingärtner, Patterns of protein unfolding and aggregation in ionic liquids. Phys. Chem. Chem. Phys. 12, 1756 (2010).
208. K. Meister, J. Niesel, U. Schatzschneider, N. Metzler-Nolte, D.A. Schmidt, M. Havenith, Label-free imaging of metal-carbonyl complexes in live cells by Raman microspectroscopy. Angew. Chem. Int. Ed. 49, 3310 (2010).
207. C. Hättig, D. P. Tew, A. Köhn, Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12. J. Chem. Phys. 132, 231102 (2010).
206. S. Henke, S. Grunwaldt, R. Schmid, R. A. Fischer, Flexibility and Sorption Selectivity in Rigid Metal-Organic Frameworks: The Impact of Ether-Functionalised Linkers. Chem. Eur. J. 16, 14296-14306 (2010).
205. S. Schimpf, A. Rittermeier, X. Zhang, Z.-A. Li, M. Spasova, M. W.E. van den Berg, M. Farle, Y. Wang, R. A. Fischer and M. Muhler, Morphological changes of stearate-based Cu colloids in methanol synthesis: indication of strong metal-support interactions. Chem. Cat. Chem. 2, 214-222 (2010).
204. A. Caporale, M. Sturlese, L. Gesiot, F. Zanta, A. Wittelsberger, C. Cabrele, Side-chain cyclization based on serine residues: Synthesis, structure and activity of a novel cyclic analogue of the parathyroid hormone fragment 1-11. J. Med. Chem. 53, 8072 (2010).
203. W. Hild, K. Pollinger, A. Caporale, C. Cabrele, M. Keller, N. Pluym, A. Buschauer, R. Rachel, J. Tessmar, M. Breunig, A. Goepferich, G protein-coupled receptors function as logic gates for nanoparticle binding and cell uptake. Proc. Natl. Acad. Sci. U.S.A. 107, 1066 (2010).
202. M. Beißwenger, T. Yoshiya, Y. Kiso, C. Cabrele, Synthesis and conformation of an analog of the helix-loop-helix domain of the Id1 protein containing the O-acyl iso-prolyl-seryl switch motif. J. Pept. Sci. 16, 303 (2010).
201. C. Carbogno, J. Behler, and K. Reuter, A. Groß, Signatures of nonadiabatic O2 dissociation at Al (111): First-principles fewest-switches study. Phys. Rev. B. 81, 035410 (2010).
200. R.Z. Khaliullin, H. Eshet, T.D. Kühne, J. Behler, M. Parrinello, Ab initio quality study of the graphitediamond phase coexistence. Phys. Rev. B. 82, 100103 (2010).
199. A. Dhar, S. Ebbinghaus, Z. Shen, T. Mishra, M. Gruebele. The diffusion coefficient for PGK folding in eukaryotic cells. Biophys. J. 99, 69-71 (2010).
198. A. Dhar, A. Samiotakis, S. Ebbinghaus, L. Nienhaus, D. Homouz, M. Gruebele, M. S. Cheung. Cell-like conditions induce conformational changes and non-monotonic protein folding kinetics in
phosphoglycerate kinase. Proc. Natl. Acad. Sci. USA 107, 17586-17591 (2010).
197. S. Pitula, A.-V. Mudring: Optical basicity of ionic liquids, Phys. Chem. Chem. Phys. 12, 2056 (2010).
196. M. Baer, D. Marx, G. Mathias, Theoretical messenger spectroscopy of microsolvated hydronium and Zundel cations, Angew. Chem. Int. Ed., 49, 7346 (2010).
195. A Mardyukov, E. Sánchez-García, R. Crespo-Otero, W. Sander, Interaction and reaction of the phenyl radical with water – a new source of OH radicals, Angew. Chem. Int. Ed. 48, 4804 (2010).
194. D.H. Friese, C. Hättig, M. Rohe, K. Merz, A. Rittermeier, M. Muhler, Oxidation of 2-Propanol by Peroxo Titanium Complexes: A Combined Experimental and Theoretical Study, J. Phys. Chem. C 114, 19415 (2010).
193. A. Maljusch, T.C. Nagaiah, S. Schwamborn, M. Bron, W. Schuhmann. Pt-Ag catalysts as oxygen-depolarized cathode material for hydrochloric acid electrolysis, Anal. Chem. 82, 1890 (2010).
192. F. Wilhelm, W. Schmickler, E. Spohr, Proton transfer to charged platinum electrodes. A molecular dynamics trajectory study, J. Phys. Condens. Matter 22, 75001 (2010).
191. S. Ebbinghaus, A. Dhar, J.D. McDonald, M. Gruebele, Protein folding stability and dynamics imaged in a living cell, Nat. Methods 7, 319 (2010).
190. S. Ebbinghaus, K. Meister, B. Born, A.L. DeVries, M. Gruebele, M. Havenith. Antifreeze glycoprotein activity correlates with long-range protein-water dynamics, J. Am. Chem. Soc. 132, 12210 (2010).
189. M. Heyden, J. Sun, S. Funkner, G. Mathias, H. Forbert, M. Havenith, D. Marx, Dissecting the THz spectrum of liquid water from first principles via correlations in time and space, Proc. Natl. Acad. Sci. U.S.A. 107, 12068 (2010).
188. W. Hild, K. Pollinger, A. Caporale, C. Cabrele, M. Keller, N. Pluym, A. Buschauer, R. Rachel, J. Tessmar, M. Breunig, A. Goepferich, G protein-coupled receptors function as logic gates for nano-partilce binding and cell uptake, Proc. Natl. Acad. Sci. U.S.A. 107, 10667 (2010).
187. J. Rinnenthal, B. Klinkert, F. Narberhaus, H. Schwalbe, Direct observation of the temperatureinduced melting process of the Salmonella fourU RNA thermometer at base-pair resolution, Nucleic Acids Res. 38, 3834 (2010).
186. C. Hättig, D.P. Tew, A. Köhn, Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12, J. Chem. Phys. 132, 231102 (2010).
185. P. Neuhaus, W. Sander, Isolation and characterization of the triradical 1,3,5-trimethylenebenzene, Angew. Chem. Int. Ed. 49, 7277 (2010).
184. K. Richter, A. Birkner, A.-V. Mudring: Stabilizer-free, long-time stable copper nanoparticles and copper-zinc oxide nanocomposites via physical vapour deposition into ionic liquids, Angew. Chem. Int. Ed. 49, 2431 (2010).
183. S. Pitula, A.-V. Mudring: Optical basicity of ionic liquids, Phys. Chem. Chem. Phys. 12, 2056 (2010).
182. M. Baer, D. Marx, G. Mathias, Theoretical messenger spectroscopy of microsolvated hydronium and Zundel cations, Angew. Chem. Int. Ed., 49, 7346 (2010).
181. D. A. Bock, C. W. Lehmann, B. List, Crystal structures of proline-derived enamines, Proc. Natl. Acad. Sci. U.S.A. 107, 20636 (2010).
180. A Mardyukov, E. Sánchez-García, R. Crespo-Otero, W. Sander, Interaction and reaction of the phenyl radical with water – a new source of OH radicals, Angew. Chem. Int. Ed. 48, 4804 (2010).