EXC 1069:  RESOLV (Ruhr Explores Solvation) - Understanding and Design of Solvent Controlled Processes

• Subject Area: Physical Chemistry
• Term: from 2012 to 2018
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 194650850

• Final Report Year: 2019

Final Report Abstract

RESOLV has established a research ecosystem for Solvation Science visible in Europe and worldwide. Recent advances in spectroscopy, microscopy, synthetic methodology, and in computer simulations herald a new era in the understanding and description of solvation processes. Solvation Science pursues open, inter- and transdisciplinary collaborations amongst physicists, chemists, and biologists, akin to disciplines such as Materials Science or Neuroscience. Since the launch of RESOLV in 2012, Solvation Science has become a key topic at a number of national and international forums. These include: the Heraeus conference ‘Exploring Solvation Science’ in 2013, the DPG spring meeting in 2014, the 114th annual meeting of the Bunsen Society in 2015, the 8th International Meeting of Biomolecules under Pressure in 2016, the 52nd annual Symposium of Theoretical Chemistry in 2016, two sessions on Solvent Design at SAFT 2017, and an APS-symposium in March 2017. Thus, RESOLV has fulfilled its promise to implement Solvation Science as a sui generis scientific discipline, as confirmed by more than 960 refereed publications, in which 225 are collaborative, 463 invited talks at international conferences, and 100 awards, including 14 ERC grants, and three Leibniz prizes. RESOLV has installed new, long-lasting structures: (i) the Center for Solvation Science (ZEMOS), a new 3,000 m2 research building; (ii) nine new professorships in Solvation Science; (iii) the Graduate School Solvation Science which has enrolled 154 doctoral students between 2013 and 2018; (iv) Support of Early Career Researchers: ECR Group Leaders have been granted full academic privileges, which includes the supervision of graduate students and independent funding. RESOLV provides a tailored career development concept. Of the 14 recruited ECR Group Leaders, 13 subsequently have been promoted to faculty positions; (v) Fostering Gender Equality and Family Affairs: RESOLV has integrated measures to promote a family-friendly environment, increase the diversity of faculty, and support the development of female leadership in science; (vi) The International Faculty Solvation Science: Researchers at all stages of their careers were embedded in an international consortium consisting of renowned groups at more than 20 institutions. RESOLV founded the sister consortium CalSolv at UC Berkeley and mutually developed both exchange and research programs in which seven Humboldt and Bessel awardees were hosted at RESOLV; (vii) Public Outreach: A traveling RESOLV exhibition and dedicated experiments to introduce elementary and high-school pupils to Solvation Science. RESOLV and Solvation Science were focus themes in the February 2017 issue of Chemie in unserer Zeit, the leading German magazine for chemistry educators and chemists in industry; (viii) TranSOLV: A dedicated center to coordinate and accelerate the effective transfer of scientific results into industrial applications.

Link to the final report

https://dx.doi.org/10.2314/KXP:1698161301

Publications

• Dissecting the THz spectrum of liquid water from first principles via correlations in time and space. Proc. Natl. Acad. Sci. USA 2107, 12068 (2010)
  M. Heyden, J. Sun, S. Funkner, G. Mathias, H. Forbert, M. Havenith, D. Marx
  
• Asymmetric Counteranion‐Directed Catalysis: Concept, Definition, and Applications. Angew. Chem. Int. Ed. 52, 518 (2013)
  M. Mahlau, B. List
  
• High resolution spectroscopy of HCl-water clusters: IR bands of undissociated and dissociated clusters revisited. J. Chem. Phys. 139 (2013)
  M. Letzner, S. Gruen, D. Habig, K. Hanke, T. Endres, P. Nieto, G. Schwaab, L. Walewski, M. Wollenhaupt, H. Forbert, D. Marx, M. Havenith
  
• Long-range protein–water dynamics in hyperactive insect antifreeze proteins. Proc. Natl. Acad. Sci. U.S.A. 110, 1617 (2013)
  K. Meister, S. Ebbinghaus, Y. Xu, J. G. Duman, A. DeVries, M. Gruebele, D. M. Leitner, M. Havenith
  
• Molecular tweezers modulate 14-3-3 protein–protein interactions. Nat. Chem. 5, 234 (2013)
  D. Bier, R. Rose, K. Bravo-Rodriguez, M. Bartel, J. M. Ramirez-Anguita, S. Dutt, C. Wilch, F.-G. Klärner, E. Sanchez-Garcia, T. Schrader, C. Ottmann
  
• Molecular Understanding of Reactivity and Selectivity for Methanol Oxidation at the Au/TiO2 Interface. Angew. Chem. Int. Ed. 52, 5780 (2013)
  M. Farnesi Camellone, J. Zhao, L. Jin, Y. Wang, M. Muhler, D. Marx
  
• Nanoconfinement effects on hydrated excess protons in layered materials. Nat. Commun. 4, 2349 (2013)
  D. Munoz-Santiburcio, C. Wittekindt, D. Marx
  
• On the Impact of Solvation on a Au/TiO2 Nanocatalyst in Contact with Water. J. Phys. Chem. Lett. 4, 514 (2013)
  M. Farnesi Camellone, D. Marx
  
• The electronic nature of the 1,4-β-glycosidic bond and its chemical environment: DFT insights into cellulose chemistry. Chem. Eur. J. 19, 16282 (2013)
  C. Loerbroks, R. Rinaldi, W. Thiel
  
• The Janus-faced role of external forces in mechanochemical disulfide bond cleavage. Nat. Chem. 5, 685 (2013)
  P. Dopieralski, J. Ribas-Arino, P. Anjukandi, M. Krupicka, J. Kiss, D. Marx
  
• A redox hydrogel protects hydrogenase from high-potential deactivation and oxygen damage. Nat. Chem. 6, 822 (2014)
  N. Plumeré, O. Rüdiger, A. Alsheikh Oughli, R. Williams, J. Vivekananthan, S. Pöller, W. Schuhmann, W. Lubitz
  
• Carbon Monoxide-Assisted Size Confinement of Bimetallic Alloy Nanoparticles. J. Am. Chem. Soc. 136, 4813 (2014)
  C. Cui, L. Gan, M. Neumann, M. Heggen, B. Roldan Cuenya, P. Strasser
  
• Enzymatic turnover of macromolecules generates long lasting protein-water coupled motions beyond reaction steady state. Proc. Natl. Acad. Sci. USA 111, 17857 (2014)
  J. Dielmann-Gessner, M. Grossmann, V. Conti-Nibali, B. Born, I. Solomonov, G.B. Fields, M. Havenith, I. Sagi
  
• Highly Luminescent and Color‐Tunable Salicylate Ionic Liquids. Chem. Eur. J. 20, 4704 (2014)
  P. S. Campbell, M. Yang, D. Pitz, J. Cybinska, A. V. Mudring
  
• Hydrogen Bonding Switches the Spin State of Diphenylcarbene from Triplet to Singlet. Angew. Chem. Int. Ed. 53, 5122 (2014)
  P. Costa, W. Sander
  
• Particle Size Effects in the Catalytic Electroreduction of CO2 on Cu Nanoparticles. J. Am. Chem. Soc. 136, 6978 (2014)
  R. Reske, H. Mistry, F. Behafarid, B. Roldan, P. Strasser
  
• Protein stabilization by macromolecular crowding through enthalpy rather than entropy. J. Am. Chem. Soc. 136, 9036 (2014)
  M. Senske, L. Törk, B. Born, M. Havenith, C. Herrmann, S. Ebbinghaus
  
• Reactive path integral quantum simulations of molecules solvated in super fluid helium. Comput. Phys. Commun. 185, 884 (2014)
  L. Walewski, H. Forbert, D. Marx
  
• Reentrant liquid-liquid phase separation in protein solutions at elevated hydrostatic pressures. Phys. Rev. Lett. 112, 028101 (2014)
  J. Möller, S. Grobelny, J. Schulze, S. Bieder, A. Steffen, M. Erlkamp, M. Paulus, M. Tolan, R. Winter
  
• Small nickel nanoparticle arrays from long chain imidazolium ionic liquids. Nanoscale 6, 3367 (2014)
  M. Yang, P. S. Campbell, C. C. Santini, A. V. Mudring
  
• The Fluorenyl Cation. Angew. Chem. Int. Ed. 54, 2656 (2015)
  P. Costa, I. Trosien, M. Fernandez-Oliva, E. Sanchez-Garcia, W. Sander
  
• The Highly Reactive Benzhydryl Cation Isolated and Stabilized in Water Ice. J. Am. Chem. Soc. 136, 15625 (2014)
  P. Costa, M. Fernandez-Oliva, E. Sanchez-Garcia, W. Sander
  
• Toward Molecular Recognition: Three-Point Halogen Bonding in the Solid State and in Solution. J. Am. Chem. Soc. 136, 16740 (2014)
  S. H. Jungbauer, D. Bulfield, F. Kniep, C. W. Lehmann, E. Herdtweck, S. M. Huber
  
• Understanding THz Spectra of Aqueous Solutions: Glycine in Light and Heavy Water. J. Am. Chem. Soc. 136, 5031 (2014)
  S. Sun, G. Niehues, H. Forbert, D. Decka, G. Schwaab, D. Marx, M. Havenith
  
• Using the First Steps of Hydration for the Determination of Molecular Conformation of a Single Molecule. J. Am. Chem. Soc. 136, 13341 (2014)
  J. Henzl, K. Boom, K. Morgenstern
  
• A THz/FTIR fingerprint of the solvated proton: evidence for Eigen structure and Zundel dynamics. Phys. Chem. Chem. Phys. 17, 11898 (2015)
  D. Decka, G. Schwaab, M. Havenith
  
• Cationic multidentate halogen-bond donors in halide abstraction organocatalysis: Catalyst optimization by preorganization. J. Am. Chem. Soc. 137, 12110 (2015)
  S. H. Jungbauer, S. M. Huber
  
• Excluded-volume effects in living cells. Angew. Chem. Int. Ed. 54, 2548 (2015)
  D. Gnutt, M. Gao, O. Brylski, M. Heyden, S. Ebbinghaus
  
• Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors. Science 350, 185 (2015)
  F. Calle-Vallejo, J. Tymoczko, V. Colic, Q.H. Vu, M.D. Pohl, K. Morgenstern, D. Loffreda, P. Sautet, W. Schuhmann, A.S. Bandarenka
  
• Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy. Nat. Commun. 6, 7890 (2015)
  H. Ogata, T. Krämer, H. Wang, D. Schilter, V. Pelmenschikov, M. van Gastel, F. Neese, T. B. Rauchfuss, L. B. Gee, A. D. Scott, Y. Yoda, Y. Tanaka, W. Lubitz, S. P. Cramer
  
• Infrared laser triggered release of bioactive compounds from single hard shell microcapsules, Chem. Commun. 51, 6913 (2015)
  T. Vöpel, R. Scholz, L. Davico, M. Groß, S. Büning, S. Kareth, E. Weidner, S. Ebbinghaus
  
• Mechanism of Protection of Catalysts Supported in Redox Hydrogel Films. J. Am. Chem. Soc. 137, 5494 (2015)
  V. Fourmond, S. Stapf, H. Li, D. Buesen, J. Birrell, O. Rüdiger, W. Lubitz, W. Schuhmann, N. Plumere, C. Leger
  
• Redox Hydrogel Protects the O2-Sensitive(FeFe)-Hydrogenase from Chlamydomonas reinhardtii from Oxidative Damage. Angew. Chem. Int. Ed. 54, 12329 (2015)
  A. Alsheikh Oughli, F. Conzuelo, M. Winkler, T. Happe, W. Lubitz, WolfW.gang Schuhmann, O. Rüdiger, N. Plumere, A
  
• Reversible Carbene Formation in the Ionic Liquid 1-Ethyl-3-Methylimidazolium Acetate by Vaporization and Condensation. Chemphyschem 16, 3603 (2015)
  B. P. Kar, W. Sander
  
• Solvent influence on cellulose 1,4-β-glycosidic bond cleavage: a molecular dynamics and metadynamics study. Chem. Eur. J. 21, 5477 (2015)
  C. Loerbroks, E. Boulanger, W. Thiel
  
• Stereochemical communication within a chiral ion pair catalyst. Angew. Chem. Int. Ed. 54, 8841 (2015)
  C. Merten, C. H. Pollok, S. Liao, B. List
  
• Triazolium based ionic liquid crystals: effect of asymmetric substitution. RSC Advances 5, 16886 (2015)
  K. Stappert, A. V. Mudring
  
• Understanding the ionic liquid [NC4111][NTf2] from individual building blocks: an IR-spectroscopic study. Phys. Chem. Chem. Phys. 17, 8518 (2015)
  K. Hanke, M. Kaufmann, G. Schwaab, M. Havenith, C. T. Wolke, O. Gorlova, M. A. Johnson, B. P. Kar, W. Sander, E. Sanchez-Garcia
  
• Asymmetric Lewis acid organocatalysis of the Diels-Alder reaction by a silylated C-H acid. Science 351, 949 (2016)
  T. Gatzenmeier, M. van Gemmeren, Y. Xie, D. Höfler, M. Leutzsch, B. List
  
• Competitive solvent-molecule interactions govern primary processes of diphenylcarbene in solvent mixtures. Nat. Commun. 7, 12968 (2016)
  J. Knorr, P. Sokkar, S. Schrott, P. Costa, W. Thiel, W. Sander, E. Sanchez-Garcia, P. Nürnberger
  
• Conformational distortion of α-phenylethyl amine in cryogenic matrices – a matrix isolation VCD study. Phys. Chem. Chem. Phys. 18, 13496 (2016)
  C. H. Pollok, C. Merten
  
• Halogen Bonding in Organic Synthesis and Organocatalysis. Chem. Eur. J. 22, 14434 (2016)
  D. Bulfield, S. M. Huber
  
• Helium droplet infrared spectroscopy of glycine and glycine-water aggregates. Phys. Chem. Chem. Phys. 18, 28082 (2016)
  M. Kaufmann, D. Leicht, R. Schwan, D. Mani, G. Schwaab, M. Havenith
  
• Highly selective plasma-activated copper catalysts for carbon dioxide reduction to ethylene. Nat. Commun. 7, 12123 (2016)
  H. Mistry, A.S. Varela, C.S. Bonifacio, I. Zegkinoglou, I. Sinev, Y-W. Choi, K. Kisslinger, E. Stach, J.C. Yang, P. Strasser, B. Roldan
  
• How van der Waals interactions determine the unique properties of water. Proc. Natl. Acad. Sci. U.S.A. 113, 8368 (2016)
  T. Morawietz, A. Singraber, C. Dellago, J. Behler
  
• Hydration Dynamics of a Peripheral Membrane Protein. J. Am. Chem. Soc. 138, 11526 (2016)
  O. Fisette, C. Päslack, R. Barnes, J.M. Isas, R. Langen, M. Heyden, S. Han, L. Schäfer
  
• Imaging the Bonds of Dehalogenated Benzene Radicals on Cu(111) and Au(111). Chemphyschem 17, 2679 (2016)
  V. Simic-Milosevic, M. Mehlhorn, K. Morgenstern
  
• Infrared spectroscopy of the helium solvated cyclopentadienyl radical in the CH stretch region. J. Chem. Phys. 145, 074304 (2016)
  D. Leicht, M. Kaufmann, G. Schwaab, M. Havenith
  
• Infrared Spectroscopy of the Tropyl Radical in Helium Droplets. J. Phys. Chem. A 120, 6768 (2016)
  M. Kaufmann, D. Leicht, M. Havenith, B. M. Broderick, G. E. Douberly
  
• Making the hydrogen evolution reaction in polymer electrolyte membrane electrolysers even faster. Nat. Commun. 7, 10990 (2016)
  J. Tymoczko, F. Calle-Vallejo, W. Schuhmann, A.S. Bandarenka
  
• On the complex structural diffusion of proton holes in nanoconfined alkaline solutions with slit pores. Nat. Commun. 7, 12625 (2016)
  D. Munoz-Santiburcio, D. Marx
  
• Ortho-C-H Arylation of Benzoic with Aryl Bromides and Chlorides Catalyzed by Ruthenium. Angew. Chem. Int. Ed. 55, 14752 (2016)
  A. Biafora, T. Krause, D. Hackenberger, F. Belitz, L.J. Gooßen
  
• Pentlandite rocks as sustainable and stable efficient electrocatalysts for hydrogen generation. Nat. Commun. 7, 12269 (2016)
  B. Konkena, K. Puring, I. Sinev, S. Piontek, O. Khavryuchenko, J. P. Dürholt, R. Schmid, H. Tüysüz, U.-P. Apfel, M. Muhler, W. Schuhmann
  
• Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers. Nat. Commun. 7, 13047 (2016)
  A. Arumghan, Y. Roske, C. Barth, L. Lleras Forero, K. Bravo-Rodriguez, A. Redel, S. Kostova, E. McShane, R. Opitz, K. Faelber, K. Rau, T. Mielke, O. Daumke, M. Selbach, E. Sanchez-Garcia, O. Rocks, D. Panakova, U. Heinemann, E.E. Wanker
  
• RNA Hairpin Folding in the Crowed Cell. Angew. Chem. Int. Ed. 55, 3224 (2016)
  M. Gao, D. Gnutt, A. Orban, B. Appel, F. Righetti, R. Winter, F. Naberhaus, S. Müller, S. Ebbinghaus
  
• Single Nanoparticle Voltammetry: Contact Modulation of the Mediated Current. Angew. Chem. Int. Ed. 55, 4296 (2016)
  X. Li, C. Batchelor-McAuley, S.A.I. Whitby, K. Tschulik, L. Shao, R.G. Compton
  
• Structural insight into the role of the Ton complex in energy transduction. Nature 538, 60 (2016)
  H. Celia, N. Noinaj, S. D. Zakharov, E. Bordignon, I. Botos, M. Santamaria. T. J. Barnard, W. A. Cramer, R. Lioubes, S. K. Buchanan
  
• Switching the Spin State of Diphenylcarbene via Halogen Bonding. J. Cm. Chem. Soc. 138, 1689 (2016)
  S. Henkel, P. Costa, L. Klute, P. Sokkar, M. Fernandez-Olivia, W. Thiel, E. Sanchez-Carcia, W. Sander
  
• The Electrochemical Characterization of Single-Shell Nanoparticles. Angew. Chem. Int. Ed. 55, 397 (2016)
  L. R. Holt, B.J. Plowman, N. P. Young, K. Tschulik, R. G. Compton
  
• Toward Extreme Biophysics: Deciphering the Infrared Response of Biomolecular Solutions at High Pressures. Angew. Chem. Int. Ed. 55, 9534 (2016)
  S. Imoto, P. Kibies, C. Rosin, S.M. Kast, D. Marx
  
• A helium nanodroplet setup for mid and far-infrared spectroscopy using pulsed-free-electron lasers: vibrational spectra of propargyl alcohol. RSC Advances 7, 54318 (2017)
  D. Mani, T. Fischer, R. Schwan, A. Dey, B. Redlich, A. F. G. Van der Meer, G. Schwaab, M. Havenith
  
• Accumulating the hydride state in the catalytic cycle of FeFe-Hydrogenases. Nat. Commun. 8, 16115 (2017)
  M. Winkler, M. Senger, J. Duan, J. Esselborn, F. Wittkamp, E. Hofmann, U.-P. Apfel, S. T. Stripp, T. Happe
  
• Activation of the B-F Bond by Diphenylcarbene: A Reversible 1,2-Fluorine Migration between Boron and Carbon. Angew. Chem. Int. Ed. 56, 1760 (2017)
  P. Costa, J. Mieres-Perez, N. Özkan, W. Sander
  
• Compositional fingerprint of soy sauces via hydrophobic surface interaction, Food Chem. 218, 256 (2017)
  V. Jakobi, P. Salmen, M. Paulus, M. Tolan, A. Rosenhahn
  
• Enhanced carbon dioxide electroreduction to carbon monoxide over defect rich plasma-activated silver catalyst. Angew. Chem. Int. Ed. 56, 11394 (2017)
  H. Mistry, Y.-W. Choi, A. Bagger, F. Scholten, C. Bonifacio, I. Sinev, N.J. Divins, I. Zegkinoglou, H. Jeon, K. Kisslinger, E. A. Stach, J.C. Yang, J. Rossmeisl, B. Roldan
  
• From the tunneling dimer to the onset of microsolvation: Infrared spectroscopy of allyl radical water aggregates in helium nanodroplets. J. Chem. Phys. 146, 114306 (2017)
  D. Leicht, M. Kaufmann, N. Pal, G. Schwaab, M. Havenith
  
• Interplay between CN-Ligands and the Secondary Coordination Sphere of the H-Cluster in [FeFe]-Hydrogenases. J. Am. Chem. Soc. 139, 18222 (2017)
  O. Lampret, A. Adamska-Venkatesh, H. Konegger, F. Wittkamp, U. Apfel, E. J. Reijerse, W. Lubitz, O. Rudiger, T. Happe, M. Winkler
  
• Intra‐ versus Intermolecular Hydrogen Bonding: Solvent‐Dependent Conformational Preferences of a Common Supramolecular Binding Motif from 1H NMR and Vibrational Circular Dichroism Spectra. Chem. Eur. J. 23, 17915 (2017)
  D. P. Demarque, C. Merten
  
• Mapping Hydration Water around Alcohol Chains by THz Calorimetry. Angew. Chem. Int. Ed. 56, 9981 (2017)
  F. Böhm, G. Schwaab, M. Havenith
  
• Nanoconfinement in Slit Pores Enhances Water Self-Dissociation. Phys. Rev. Lett. 119, 056002 (2017)
  D. Munoz-Santiburcio, D. Marx
  
• Operando phonon studies of the protonation mechanism in highly active hydrogen evolution reaction pentlandite. J. Am. Chem. Soc. 139, 14360 (2017)
  I. Zegkinoglou, A. Zendegani, I. Sinev, S. Kunze, H. Mistry, H. Sang Jeon, J. Zhao, M.Yhu, E. Ercan Alp, S. Piontek, M. Smialkowski, U.-P. Apfel, F. Körmann, J. Neugebauer, T. Hickel, B. Roldan
  
• Osmolyte Effects on the Conformational Dynamics of a DNA Hairpin at Ambient and Extreme Environmental Conditions. Angew. Chem. Int. Ed. 56, 5045 (2017)
  S. Patra, C. Anders, N. Erwin, R. Winter
  
• Predicting the Solubility of CO2 in Toluene + Ionic Liquid Mixtures with PC-SAFT Ind. Eng. Chem. Res. 56, 9885 (2017)
  R. I. Canales, C. Held, M. J. Lubben, J. F. Brennecke, G. Sadowski
  
• Pressure modulates the self-cleavage step of the hairpin ribozyme. Nat. Commun. 8, 14661 (2017)
  C. Schuabb, N. Kumar, S. Pataraia, D. Marx, R. Winter
  
• Tailored protein encapsulation into a DNA host using geometrically organized supramolecular interactions. Nat. Commun. 8, 14472 (2017)
  A. Sprengel, P. Lill, P. Stegemann, K. Bravo-Rodriguez, E.-C. Schöneweiß, M. Merdanovic, D. Gudnason, M. Aznauryan, L. Gamrad, S. Barcikowski, E. Sanchez-Garcia, V. Birkedal, C. Gatsoginannis, M. Ehrmann, B. Sacca
  
• The Cope Rearrangement of 1,5-Dimethylsemibullvalene-2(4)- d1:Experimental Evidence for Heavy-Atom Tunneling. Angew. Chem. Int. Ed. 56, 10746 (2017)
  T. Schleif, J.Mieres-Perez, S. Henkel, M. Ertelt, W. T. Borden, W. Sander
  
• Unexpected mechanochemical complexity in the mechanistic scenarios of disulfide bond reduction in alkaline solution. Nat. Chem. 9, 164 (2017)
  P. Dopieralski, J. Ribas-Arino, P. Anjukandi, M. Krupicka, D. Marx
  
• Vibrational optical activity as probe for intermolecular interactions. Phys. Chem. Chem. Phys. 19, 18803 (2017)
  C. Merten
  
• A Deep-sea osmolyte controls watermediated protein-protein interactions at high pressures. Phys. Rev. Lett. 121, 038101 (2018)
  K. Julius, J. Weine, M. Berghaus, N. König, M. Gao, M. Paulus, M.A. Schroer, M. Tolan, R. Winter
  
• A fully protected hydrogenase/polymer based bioanode operating in a high performance H2/H2O2 biofuell cell. Nat. Commun. 9, 3675 (2018)
  A. Ruff, J. Szczesny, N. Markovic, F. Conzuelo, S. Zacarias, I. Pereira, W. Lubitz, W. Schuhmann
  
• Activation of olefins via asymmetric Bronsted acid catalysis. Science 359, 1501 (2018)
  N. Tsuji, J. L. Kennemur, T. Buyck, S. Lee, S. Prévost, P. S. J. Kaib, D. Bykov, C. Farès, B. List
  
• Atomic-Scale Explanation of O2 Activation at the Au-TiO2 Interface. J. Am. Chem. Soc. 140, 18082 (2018)
  N. Siemer, A. Luken, M. Zalibera, J. Frenzel, D. Munoz-Santiburcio, A. Savitsky, W. Lubitz, M. Muhler, D. Marx, J. Strunk
  
• C-H Bon Activation for the Synthesis of Heterocyclic Atropisomers Yields Hedgehog Pathway Inhibitors. Angew. Chem. Int. Ed. 57, 14250 (2018)
  G. Shan, J. Flegel, H. Li, C. Merten, S. Ziegler, A. Antonchick, H. Waldmann
  
• Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat. Commun. 9, 4726 (2018)
  J. Duan, M. Senger, J. Esselborn, V. Engelbrecht, F. Wittkamp, U-P Apfel, E. Hofmann, S. T. Stripp, T. Happe, M. Winkler
  
• Dual properties of an hydrogen oxidation Ni-catalyst entrapped within a polymer promote self-defense against oxygen. Nat. Commun. 9, 864 (2018)
  A. A. Oughli, A. Ruff, N. P. Boralugodage, P. Rodriguez-Maciá, N. Plumeré, W. Lubitz, W. J. Shaw, W. Schuhmann, O. Rüdiger
  
• Electroatalytic oxidation of 5- (hydroxymethyl)furfural using high-surface-area nickel boride. Angew. Chem. Int. Ed. 57, 11460 (2018)
  S. Barwe, J. Weidner, S. Cychy, D.M. Morales, D. Hiltrop, J. Masa, M. Muhler, W. Schuhmann
  
• Enantioselective reduction of sulfur-containing cyclic imines through biocatalysis. Nat. Commun. 9, 1949 (2018)
  N. Zumbrägel, C. Merten, Stefan M. Huber, H. Gröger
  
• Encapsulation Efficiency and Release Behavior of Fat Microcapsules with Lipophilic Emulsifiers, Chem. Ing. Tech. 90, 562 (2018)
  R. Scholz, L. Davico, V. Jakobi, S. Kareth, A. Rosenhahn, E. Weidner
  
• Helium-Tagging of Protonated Methane in Messenger Spectroscopy: Does it Interfere with the Fluxionality of CH5+?. Angew. Chem. Int. Ed. 57, 14792 (2018)
  F. Uhl, D. Marx
  
• Hierarchical Assembly of an Interlocked M8L16 Container. Angew. Chem. Int. Ed. 57, 5534 (2018)
  W. M. Bloch, J. J. Holstein, B. Dittrich, W. Hiller, G. H. Clever
  
• Hydrophilicity and microsolvation of an organic molecule resolved on the sub-molecular level by scanning tunneling microscopy. Angew. Chem. Int. Ed. 57, 1266 (2018)
  K. Lucht, D. Loose, M. Ruschmeier, V. Strotkötter, G. Dyker, K. Morgenstern
  
• Ion hydration ion pairing as probed by THz spretroscopy. Angew. Chem. Int. Ed. 58, 3000 (2018)
  M. Havenith, G. Schwaab, F. Sebastiani
  
• Light-induced formation of partially reduced oxygen species limits the lifetime of photosystem 1-based biocathodes. Nat. Commun. 9, 1973 (2018)
  F. Zhao, St. Hardtr, V. Hartmann, H. Zhang, M. Nowaczyk, M. Rögner, N. Plumeré, W. Schuhmann, F. Conzuelo
  
• Local activities of hydroxide and water determine the operation of Ag-based oxygen depolarized cathodes. Angew. Chem. Int. Ed. 57, 12285 (2018)
  A. Botz, J. Clausmeyer, D. Öhl, T. Tarnev, D. Franzen, T. Turek, W. Schuhmann
  
• Prediction and experimental validation of co-solvent influence on Michaelis constants: A thermodynamic activity-based approach. Chem. Eur. J 24, 16418 (2018)
  A. Wangler, D. Boetcher, A. Hueser, G. Sadowski, C. Held
  
• S. Surendralal, M. Todorova, M. W. Finnis, J. Neugebauer, First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanism behind Mg Corrosion, Phys. Rev. Lett. 120, 246801 (2018)
  S. Surendralal, M. Todorova, M. W. Finnis, J. Neugebauer
  
• Selective solvent-induced stabilization of polar oxide surfaces in an electrochemical environment. Phys. Rev. Lett. 120, 066101 (2018)
  S.-H. Yoo, M. Todorova, J. Neugebauer
  
• Simultaneous Opto- and Spectro-Electrochemistry: Reactions of Individual Nanoparticles Uncovered by Dark-Field Microscopy. J. Am. Chem. Soc. 140, 12658 (2018)
  K. Wonner, M. Evers, K. Tschulik
  
• Solvation-Induced Changes in the Mechanism of Alcohol Oxidation at Gold/Titania Nanocatalysts in the Aqueous Phase versus Gas Phase. Angew. Chem. Int. Ed. 57, 3327 (2018)
  D. Munoz-Santibucio, M. F. Camellone, D. Marx
  
• The plasticity of redox cofactors: from metalloenzymes to redox-active DNA. Nat. Rev. Chem. 2, 231 (2018)
  A. Hemschemeier, T. Happe