EXC 1069: RESOLV (Ruhr Explores Solvation) - Understanding and Design of Solvent Controlled Processes
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
(See online at https://doi.org/10.1073/pnas.0914885107) - Asymmetric Counteranion‐Directed Catalysis: Concept, Definition, and Applications. Angew. Chem. Int. Ed. 52, 518 (2013)
M. Mahlau, B. List
(See online at https://doi.org/10.1002/anie.201205343) - 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
(See online at https://doi.org/10.1063/1.4824858) - 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
(See online at https://doi.org/10.1073/pnas.1214911110) - 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
(See online at https://doi.org/10.1038/nchem.1570) - 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
(See online at https://doi.org/10.1002/anie.201301868) - Nanoconfinement effects on hydrated excess protons in layered materials. Nat. Commun. 4, 2349 (2013)
D. Munoz-Santiburcio, C. Wittekindt, D. Marx
(See online at https://doi.org/10.1038/ncomms3349) - 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
(See online at https://doi.org/10.1021/jz301891v) - 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
(See online at https://doi.org/10.1002/chem.201301366) - 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
(See online at https://doi.org/10.1038/NCHEM.1676) - 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
(See online at https://doi.org/10.1038/NCHEM.2022) - 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
(See online at https://doi.org/10.1021/ja4124658) - 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
(See online at https://doi.org/10.1073/pnas.1410144111) - 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
(See online at https://doi.org/10.1002/chem.201301363) - Hydrogen Bonding Switches the Spin State of Diphenylcarbene from Triplet to Singlet. Angew. Chem. Int. Ed. 53, 5122 (2014)
P. Costa, W. Sander
(See online at https://doi.org/10.1002/anie.201400176) - 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
(See online at https://doi.org/10.1021/ja500328k) - 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
(See online at https://doi.org/10.1021/ja503205y) - Reactive path integral quantum simulations of molecules solvated in super fluid helium. Comput. Phys. Commun. 185, 884 (2014)
L. Walewski, H. Forbert, D. Marx
(See online at https://doi.org/10.1016/j.cpc.2013.12.011) - 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
(See online at https://doi.org/10.1103/PhysRevLett.112.028101) - 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
(See online at https://doi.org/10.1039/c3nr05048c) - The Fluorenyl Cation. Angew. Chem. Int. Ed. 54, 2656 (2015)
P. Costa, I. Trosien, M. Fernandez-Oliva, E. Sanchez-Garcia, W. Sander
(See online at https://doi.org/10.1002/anie.201411234) - 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
(See online at https://doi.org/10.1021/ja507894x) - 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
(See online at https://doi.org/10.1021/ja509705f) - 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
(See online at https://doi.org/10.1021/ja4129857) - 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
(See online at https://doi.org/10.1021/ja506762t) - 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
(See online at https://doi.org/10.1039/c5cp01035g) - 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
(See online at https://doi.org/10.1021/jacs.5b07863) - Excluded-volume effects in living cells. Angew. Chem. Int. Ed. 54, 2548 (2015)
D. Gnutt, M. Gao, O. Brylski, M. Heyden, S. Ebbinghaus
(See online at https://doi.org/10.1002/anie.201409847) - 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
(See online at https://doi.org/10.1126/science.aab3501) - 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
(See online at https://doi.org/10.1038/ncomms8890) - 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
(See online at https://doi.org/10.1039/c4cc09745a) - 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
(See online at https://doi.org/10.1021/jacs.5b01194) - 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
(See online at https://doi.org/10.1002/anie.201502776) - 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
(See online at https://doi.org/10.1002/cphc.201500729) - 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
(See online at https://doi.org/10.1002/chem.201405507) - Stereochemical communication within a chiral ion pair catalyst. Angew. Chem. Int. Ed. 54, 8841 (2015)
C. Merten, C. H. Pollok, S. Liao, B. List
(See online at https://doi.org/10.1002/anie.201501271) - Triazolium based ionic liquid crystals: effect of asymmetric substitution. RSC Advances 5, 16886 (2015)
K. Stappert, A. V. Mudring
(See online at https://doi.org/10.1039/c4ra14961k) - 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
(See online at https://doi.org/10.1039/c5cp00116a) - 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
(See online at https://doi.org/10.1126/science.aae0010) - 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
(See online at https://doi.org/10.1038/ncomms12968) - 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
(See online at https://doi.org/10.1039/c6cp01946c) - Halogen Bonding in Organic Synthesis and Organocatalysis. Chem. Eur. J. 22, 14434 (2016)
D. Bulfield, S. M. Huber
(See online at https://doi.org/10.1002/chem.201601844) - 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
(See online at https://doi.org/10.1039/c6cp05042e) - 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
(See online at https://doi.org/10.1038/ncomms12123) - 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
(See online at https://doi.org/10.6084/m9.figshare.1497907) - 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
(See online at https://doi.org/10.1021/jacs.6b07005) - Imaging the Bonds of Dehalogenated Benzene Radicals on Cu(111) and Au(111). Chemphyschem 17, 2679 (2016)
V. Simic-Milosevic, M. Mehlhorn, K. Morgenstern
(See online at https://doi.org/10.1002/cphc.201600495) - 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
(See online at https://doi.org/10.1063/1.4960781) - 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
(See online at https://doi.org/10.1021/acs.jpca.6b06522) - 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
(See online at https://doi.org/10.1038/ncomms10990) - 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
(See online at https://doi.org/10.1038/ncomms12625) - 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
(See online at https://doi.org/10.1002/anie.201607270) - 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
(See online at https://doi.org/10.1038/ncomms12269) - 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
(See online at https://doi.org/10.1038/ncomms13047) - 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
(See online at https://doi.org/10.1002/anie.201510847) - 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
(See online at https://doi.org/10.1002/anie.201509017) - 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
(See online at https://doi.org/10.1038/nature19757) - 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
(See online at https://doi.org/10.1002/anie.201400176) - 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
(See online at https://doi.org/10.1002/anie.201509008) - 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
(See online at https://doi.org/10.1002/anie.201602757) - 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
(See online at https://doi.org/10.1039/c7ra08102b) - 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
(See online at https://doi.org/10.1038/ncomms16115) - 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
(See online at https://doi.org/10.1002/anie.201610179) - Compositional fingerprint of soy sauces via hydrophobic surface interaction, Food Chem. 218, 256 (2017)
V. Jakobi, P. Salmen, M. Paulus, M. Tolan, A. Rosenhahn
(See online at https://doi.org/10.1016/j.foodchem.2016.09.045) - 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
(See online at https://doi.org/10.1002/anie.201704613) - 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
(See online at https://doi.org/10.1063/1.4978482) - 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
(See online at https://doi.org/10.1021/jacs.7b08735) - 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
(See online at https://doi.org/10.1002/chem.201703643) - Mapping Hydration Water around Alcohol Chains by THz Calorimetry. Angew. Chem. Int. Ed. 56, 9981 (2017)
F. Böhm, G. Schwaab, M. Havenith
(See online at https://doi.org/10.1002/anie.201612162) - Nanoconfinement in Slit Pores Enhances Water Self-Dissociation. Phys. Rev. Lett. 119, 056002 (2017)
D. Munoz-Santiburcio, D. Marx
(See online at https://doi.org/10.1103/PhysRevLett.119.056002) - 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
(See online at https://doi.org/10.1021/jacs.7b07902) - 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
(See online at https://doi.org/10.1002/anie.201701420) - 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
(See online at https://doi.org/10.1021/acs.iecr.7b01497) - 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
(See online at https://doi.org/10.1038/ncomms14661) - 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
(See online at https://doi.org/10.1038/ncomms14472) - 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
(See online at https://doi.org/10.1002/anie.201704787) - 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
(See online at https://doi.org/10.1038/NCHEM.2632) - Vibrational optical activity as probe for intermolecular interactions. Phys. Chem. Chem. Phys. 19, 18803 (2017)
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