Grosse, Christian

[["dc.bibliographiccitation.firstpage","10049"],["dc.bibliographiccitation.issue","21"],["dc.bibliographiccitation.journal","Inorganic Chemistry"],["dc.bibliographiccitation.lastpage","10059"],["dc.bibliographiccitation.volume","48"],["dc.contributor.author","Stollenz, Michael"],["dc.contributor.author","John, Michael"],["dc.contributor.author","Gehring, Henrike"],["dc.contributor.author","Dechert, Sebastian"],["dc.contributor.author","Grosse, Christian"],["dc.contributor.author","Meyer, Franc"],["dc.date.accessioned","2018-11-07T11:22:18Z"],["dc.date.available","2018-11-07T11:22:18Z"],["dc.date.issued","2009"],["dc.description.abstract","The synthesis of three pyrazole-based, potentially binucleating ligands 3,5-bis(R(1)N(CH(3))CH(2))-4-R(2)pyrazole (L(1)H: R(1) pyridyl-2-methyl-, R(2) = Ph; L(2)H: R(1) = 8-quinolyl-, R(2) = H; L(3)H: R(1) = 8-quinolyl-, R(2) = Ph) is described. Reaction of L(1-3)H with 1 equiv. of mesitylcopper affords oligonuclear homoleptic complexes of the type [CuL](n) (1-3). The single crystal X-ray structure of 2 shows a tetranuclear assembly of linear coordinated copper(I)-centers bridged by pyrazolato ligands that alternate above and below the Cu(4) plane, with additional weak interactions from some of the ligand side arms. As the single crystal X-ray structure of 3 reveals, phenyl substitution at the 4-position of the pyrazolato framework leads to significant structural modification of the Cu(4) array, giving a rhombical tetranuclear complex with two linear coordinated copper(I) centers that exhibit a short intramolecular Cu:: center dot Cu contact (2.8212(10) angstrom) and two peripheral copper(I) centers in a distorted tetrahedral coordination mode. Thus, 3 represents a very rare example of an inorganic pyrazolato cuprate which can also be viewed as a partly rearranged structural isomer of 2. Furthermore, the crystal lattice of 3 shows an extended network of intra- and intermolecular pi-pi stacking interactions between the aromatic rings. In solution, 1-3 each form two types of oligomers a and b that slowly (<1 s(-1)) equilibrate at room temperature. Using Diffusion Ordered Spectroscopy (DOSY) and variable temperature (1)H NMR spectroscopy it can be shown that a and b correspond to a tetrameric and a (planar) trimeric species. Coordination of the pyridyl/quinolyl side arms that is observed in the solid state seems to be only transient in solution."],["dc.description.sponsorship","Fonds der Chernischen Industrie"],["dc.identifier.doi","10.1021/ic900727h"],["dc.identifier.isi","000270987400019"],["dc.identifier.pmid","19803532"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/55964"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","0020-1669"],["dc.title","Oligonuclear Homoleptic Copper(I) Pyralzolates with Multinucleating Ligand Scaffolds: High Structural Diversity in Solid-State and Solution"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","123"],["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","Amino Acids"],["dc.bibliographiccitation.lastpage","124"],["dc.bibliographiccitation.volume","37"],["dc.contributor.author","Grosse, Christian"],["dc.date.accessioned","2018-11-07T08:27:53Z"],["dc.date.available","2018-11-07T08:27:53Z"],["dc.date.issued","2009"],["dc.identifier.isi","000267823800425"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/16300"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Springer"],["dc.publisher.place","Wien"],["dc.relation.issn","1438-2199"],["dc.relation.issn","0939-4451"],["dc.title","How to assemble a protein tag for purification, crystallisation and phasing"],["dc.type","conference_abstract"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.journal","Abstracts of Papers of the American Chemical Society"],["dc.bibliographiccitation.volume","242"],["dc.contributor.author","Stollenz, Michael"],["dc.contributor.author","Gehring, Henrike"],["dc.contributor.author","Konstanzer, Vera"],["dc.contributor.author","Fischer, Stefan"],["dc.contributor.author","Dechert, Sebastian"],["dc.contributor.author","Grosse, Christian"],["dc.contributor.author","Meyer, Franc"],["dc.date.accessioned","2018-11-07T08:53:05Z"],["dc.date.available","2018-11-07T08:53:05Z"],["dc.date.issued","2011"],["dc.identifier.isi","000299378300024"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/22326"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.publisher.place","Washington"],["dc.relation.conference","242nd National Meeting of the American-Chemical-Society (ACS)"],["dc.relation.eventlocation","Denver, CO"],["dc.relation.issn","0065-7727"],["dc.title","From pyrazolate-based binuclear copper(I) complexes to octanuclear s-mesityl-bridged m(4)-oxo-cuprocuprates: A concept for small molecule activation by functional molecular scaffolds"],["dc.type","conference_abstract"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","8956"],["dc.bibliographiccitation.issue","29"],["dc.bibliographiccitation.journal","Chemistry - A European Journal"],["dc.bibliographiccitation.lastpage","8963"],["dc.bibliographiccitation.volume","14"],["dc.contributor.author","Tietze, Lutz Friedjan"],["dc.contributor.author","Spiegl, Dirk A."],["dc.contributor.author","Stecker, Florian"],["dc.contributor.author","Major, Julia"],["dc.contributor.author","Raith, Christian"],["dc.contributor.author","Grosse, Christian"],["dc.date.accessioned","2018-11-07T11:19:41Z"],["dc.date.available","2018-11-07T11:19:41Z"],["dc.date.issued","2008"],["dc.description.abstract","The stereoselective synthesis of 4-dehydroxydiversonol (4) employing enantioselective palladium-catalysed domino processes such as the domino Wacker-Heck and the domino Wacker-carbonylation reaction for the formation of the central chroman moiety is described. Thus, reaction of 8 with palladium(II) trifluoroacetate [Pd(OTFA)(2)] in the presence of carbon monoxide, methanol and the 2,2'-bis(oxazolin-2-yl)-1,1'-binaphthyl (BOXAX) ligand 17 led to 19 in 80% yield and 96% ee. Similarly, the chroman 7 was prepared using 8 and methyl acrylate (9) as starting material. Hydrogenation of the double bond, oxidation of the benzylic methylene group and intramolecular acylation of chromanone 6 provided the tetrahydroxanthenone core 5, from which the synthesis of 4 was completed. The relative configuration of 4 could be established by crystal structure analysis."],["dc.identifier.doi","10.1002/chem.200800967"],["dc.identifier.isi","000260278900028"],["dc.identifier.pmid","18698572"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/55343"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Wiley-v C H Verlag Gmbh"],["dc.relation.issn","1521-3765"],["dc.relation.issn","0947-6539"],["dc.title","Stereoselective Synthesis of 4-Dehydroxydiversonol Employing Enantioselective Palladium-Catalysed Domino Reactions"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","1744"],["dc.bibliographiccitation.issue","15"],["dc.bibliographiccitation.journal","Chemical Communications"],["dc.bibliographiccitation.lastpage","1746"],["dc.contributor.author","Stollenz, Michael"],["dc.contributor.author","Gross, Christian"],["dc.contributor.author","Meyer, Franc"],["dc.date.accessioned","2018-11-07T11:16:00Z"],["dc.date.available","2018-11-07T11:16:00Z"],["dc.date.issued","2008"],["dc.description.abstract","A new compartmental pyrazole-derived chelating ligand, four equivalents of mesitylcopper and stoichiometric amounts of di-oxygen lead to the formation of a remarkably stable organometallic framework that can be described as a heteroleptic O-centered cuprate anion [(MesCu(I))(4)(mu(4)-O)](2-) linked via sigma-mesityl-bridges to two surrounding binuclear Cu(I)-pyrazolate clamps."],["dc.identifier.doi","10.1039/b717571j"],["dc.identifier.isi","000254554800004"],["dc.identifier.pmid","18379679"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/54493"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1359-7345"],["dc.title","An unusually stable octanuclear sigma-mesityl-bridged mu(4)-oxo-copper(I) complex encapsulated by a pyrazolate-based compartmental ligand scaffold"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","651"],["dc.bibliographiccitation.issue","9"],["dc.bibliographiccitation.journal","Nature Methods"],["dc.bibliographiccitation.lastpage","U39"],["dc.bibliographiccitation.volume","6"],["dc.contributor.author","Rodriguez, Dayte D."],["dc.contributor.author","Grosse, Christian"],["dc.contributor.author","Himmel, Sebastian"],["dc.contributor.author","Gonzalez, Cesar"],["dc.contributor.author","de Ilarduya, Inaki M."],["dc.contributor.author","Becker, Stefan"],["dc.contributor.author","Sheldrick, George M."],["dc.contributor.author","Usón, Isabel"],["dc.date.accessioned","2018-11-07T11:25:19Z"],["dc.date.available","2018-11-07T11:25:19Z"],["dc.date.issued","2009"],["dc.description.abstract","Ab initio macromolecular phasing has been so far limited to small proteins diffracting at atomic resolution (beyond 1.2 angstrom) unless heavy atoms are present. We describe a general ab initio phasing method for 2 angstrom data, based on combination of localizing model fragments such as small alpha-helices with Phaser and density modification with SHELXE. We implemented this approach in the program Arcimboldo to solve a 222-amino-acid structure at 1.95 angstrom."],["dc.identifier.doi","10.1038/NMETH.1365"],["dc.identifier.isi","000269382900013"],["dc.identifier.pmid","19684596"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/56594"],["dc.notes.submitter","Najko"],["dc.publisher","Nature Publishing Group"],["dc.relation.issn","1548-7091"],["dc.title","Crystallographic ab initio protein structure solution below atomic resolution"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","11820"],["dc.bibliographiccitation.issue","49"],["dc.bibliographiccitation.journal","The Journal of Physical Chemistry A"],["dc.bibliographiccitation.lastpage","11836"],["dc.bibliographiccitation.volume","119"],["dc.contributor.author","Druzhinin, Sergey I."],["dc.contributor.author","Galievsky, Victor A."],["dc.contributor.author","Demeter, Attila"],["dc.contributor.author","Kovalenko, Sergey A."],["dc.contributor.author","Senyushkina, Tamara A."],["dc.contributor.author","Dubbaka, Srinivas R."],["dc.contributor.author","Knoche, Paul"],["dc.contributor.author","Mayer, Peter"],["dc.contributor.author","Grosse, Christian"],["dc.contributor.author","Stalke, Dietmar"],["dc.contributor.author","Zachariasse, Klaas A."],["dc.date.accessioned","2018-11-07T09:47:35Z"],["dc.date.available","2018-11-07T09:47:35Z"],["dc.date.issued","2015"],["dc.description.abstract","From X-ray structure analysis, amino twist angles of 90.0 degrees for 2,4-dimethyl-3-(dimethylamino)benzonitrile (mMMD), 82.7 degrees for 4-(di-tert-butylamino)benzonitrile (DTABN), and 88.7 degrees for 6-cyanobenzoquinuclidine (CBQ) are determined, all considerably larger than the 57.4 degrees of 3,5-dimethyl-4-(dimethylamino)benzonitrile (MMD). This large twist leads to lengthening of the amino-phenyl bond, 143.5 pm (mMMD), 144.1 pm (DTABN), 144.6 pm (CBQ), and 141.4 pm (MMD), as compared with 136.5 pm for the planar 4-(dimethylamino)benzonitrile (DMABN). As a consequence, the electronic coupling between the amino and phenyl subgroups in mMMD, DTABN, CBQ, and MMD is much weaker than in DMABN, as seen from the strongly reduced molar absorption coefficients. The fluorescence spectrum of MMD in n-hexane at 25 degrees C consists of two emissions, from a locally excited (LE) and an intramolecular charge transfer (ICT) state, with a fluorescence quantum yield ratio Phi'(ICT)/Phi(LE) of 12.8. In MeCN, a single ICT emission is found. With mMMD in n-hexane, in contrast, only LE fluorescence is observed, whereas the spectrum in MeCN originates from the ICT state. These differences are also seen from the half-widths of the overall fluorescence bands, which in n-hexane are larger for MMD than for mMMD, decreasing with solvent polarity for MMD and increasing for mMMD, reflecting the disappearance of LE and the onset of ICT in the overall spectra, respectively. From solvatochromic measurements the dipole moments mu(e)(ICT) of MMD (16 D) and mMMD (15 D) are obtained. Femtosecond excited state absorption (ESA) spectra at 22 degrees C, together with the dual (LE + ICT) fluorescence, reveal that MMD in n-hexane undergoes a reversible LE reversible arrow ICT reaction, with LE as the precursor, with a forward rate constant k(a) = 5.6 x 10(12) s(-1) and a back-reaction kd similar to 0.05 x 10(12) s(-1). With MMD in the strongly polar solvent MeCN, ICT is faster: k(a) = 10 x 10(12) s(-1). In the case of mMMD in n-hexane, the ESA spectra show that ICT does not take place, contrary to MeCN, in which ka = 2.5 x 10(12) s(-1). The ICT reactions with MMD and mMMD are much faster than that of the parent compound DMABN in MeCN, with k(a) = 0.24 x 10(12) s(-1). Because of the very short ICT reaction times of 180 fs (MMD, n-hexane), 100 fs (MMD, MeCN), and 400 fs (mMMD, MeCN), it is clear that the picosecond fluorescence decays of these systems appear to be single exponential, due to the insufficient time resolution of 3 ps. It is concluded that the faster LE -> ICT reaction of MMD as compared with DMABN (k(a) = 0.24 x 10(12) s(-1) in MeCN) is caused by a smaller energy gap Delta E(S1,S2) between the lowest singlet excited states and not by the large amino twist angle. Similarly, the larger Delta E(S1,S2) of mMMD as compared with MMD is held responsible for its smaller ICT efficiency (no reaction in n-hexane)."],["dc.description.sponsorship","Alexander von Humboldt Foundation"],["dc.identifier.doi","10.1021/acs.jpca.5b09368"],["dc.identifier.isi","000366339400008"],["dc.identifier.pmid","26559045"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/35143"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","1089-5639"],["dc.title","Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","106"],["dc.bibliographiccitation.journal","Journal of Organometallic Chemistry"],["dc.bibliographiccitation.lastpage","111"],["dc.bibliographiccitation.volume","821"],["dc.contributor.author","Stollenz, Michael"],["dc.contributor.author","Fischer, Stefan"],["dc.contributor.author","Gehring, Henrike"],["dc.contributor.author","Resch, Stefan G."],["dc.contributor.author","Dechert, Sebastian"],["dc.contributor.author","Grosse, Christian"],["dc.contributor.author","Meyer, Franc"],["dc.date.accessioned","2018-11-07T10:06:59Z"],["dc.date.available","2018-11-07T10:06:59Z"],["dc.date.issued","2016"],["dc.description.abstract","The synthesis and characterization of the a-mesityl NHC-complex (SIMes)CuMes (1) and the dicopper(I) oxalato complex [(SIMes)Cu](2)(C2O4) (2; SIMes = 1,3-dimesitylimidazolin-2-ylidene) are described. 1, a new example of a sigma-organocopper complex bearing an imidazolin-2-ylidene ligand, is obtained from the stoichiometric reaction of mesitylcopper with SIMes. The single crystal X-ray structure determination of 1 reveals a linearly coordinated copper ion. Clean reaction of 1 with 0.5 equiv. of oxalic acid affords the dinuclear copper(I) oxalato complex 2 with concomitant elimination of mesitylene. As confirmed by Xray crystallography, the cuprous ions are bridged by the oxalate in mu-1,2,3,4 mode and are each coordinated by one NHC-capping ligand, thus both copper(I) exhibit trigonal coordination geometries, though with slight distortions. 2 represents the first example of a copper(I) oxalato complex stabilized by two N-heterocyclic carbene ligands. Whereas 1 is only moderately air-stable in the solid state, 2 resists to non-inert conditions at least for several days. The thermal decomposition behavior of 2 was investigated by thermal gravimetric analysis/differential scanning calorimetry coupled with mass spectrometry (TGA/DSC-MS) and revealed the elimination of HCN, CO and CO2 in the temperature range 210-350 degrees C to finally give elemental copper in a controlled degradation process. (C) 2016 Elsevier B.V. All rights reserved."],["dc.description.sponsorship","Georg-August-Universitat Gottingen"],["dc.identifier.doi","10.1016/j.jorganchem.2016.07.006"],["dc.identifier.isi","000387633400013"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/39199"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Elsevier Science Sa"],["dc.relation.issn","1872-8561"],["dc.relation.issn","0022-328X"],["dc.title","Molecular dicopper(I) oxalate stabilized by two N-heterocyclic carbenes: A potential precursor for copper deposition"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","751"],["dc.bibliographiccitation.journal","ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS"],["dc.bibliographiccitation.lastpage","756"],["dc.bibliographiccitation.volume","68"],["dc.contributor.author","Himmel, Sebastian"],["dc.contributor.author","Grosse, Christian"],["dc.contributor.author","Wolff, Sebastian"],["dc.contributor.author","Schwiegk, C."],["dc.contributor.author","Becker, Stefan"],["dc.date.accessioned","2018-11-07T09:08:37Z"],["dc.date.available","2018-11-07T09:08:37Z"],["dc.date.issued","2012"],["dc.description.abstract","GlcT is a transcriptional antiterminator protein that is involved in regulation of glucose metabolism in Bacillus subtilis. Antiterminator proteins bind specific RNA sequences, thus preventing the formation of overlapping terminator stem-loops. The structure of a fragment (residues 3-170) comprising the RNA-binding domain (RBD) and the first regulatory domain (PRDI) of GlcT was solved at 2.0 angstrom resolution with one molecule in the asymmetric unit. The two domains are connected by a helical linker. Their interface is mostly constituted by hydrophobic interactions."],["dc.description.sponsorship","Max Planck Society"],["dc.identifier.doi","10.1107/S1744309112020635"],["dc.identifier.isi","000305967100004"],["dc.identifier.pmid","22750856"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/26076"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.relation.issn","1744-3091"],["dc.title","Structure of the RBD-PRDI fragment of the antiterminator protein GlcT"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","446"],["dc.bibliographiccitation.issue","7"],["dc.bibliographiccitation.journal","Das Gesundheitswesen"],["dc.bibliographiccitation.lastpage","451"],["dc.bibliographiccitation.volume","78"],["dc.contributor.author","Grosse, Christian"],["dc.contributor.author","Wolff-Menzler, Claus"],["dc.date.accessioned","2018-11-07T10:11:49Z"],["dc.date.available","2018-11-07T10:11:49Z"],["dc.date.issued","2016"],["dc.description.abstract","Purpose: In 2015 the remuneration system for psychiatric and psychosomatic stationary treatments will be revised. The remuneration for a case is calculated by the product of base rate, a cost weight and the number of days of treatment. The cost weight varies depending on the number of days of treatment. This paper surveys the incentives, the casemix structure and the consistency of the modified PEPP system. Methods: Under the assumption of a profit-maximising supplier it is possible to define the economically optimal length of stay by comparing marginal revenues and marginal costs. Therefore a revenue function is derived from the new structure of the PEPP system. Since the determination of the marginal revenues is not mathematically possible, the revenues per additional day of treatment are calculated. On that basis it is possible to determine the economically optimal length of stay and to assess the consistency of the system changes. Results: In an early stage of treatment the revenues per additional day of treatment are degressive. After a defined amount of days these additional revenues stay constant, which will be relevant for the majority of the cases. It is economically optimal for the hospitals to treat patients as long as possible, if the marginal costs lie or sink below these constant revenues per - additional day of treatment. Furthermore the system changes result in a more complex casemix structure and the calculation of the cost weights is partially inconsistent, since the marginal revenues do not monotonically decrease. Conclusions: The modifications lead to a reduction of degressive elements in the PEPP system, which might also be accompanied by a decrease of economically induced pressure on length of stay. The inconsistent calculation of the cost weights and the more complicated casemix structure can be viewed critically."],["dc.identifier.doi","10.1055/s-0035-1548850"],["dc.identifier.isi","000384771200011"],["dc.identifier.pmid","26335654"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/40118"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Georg Thieme Verlag Kg"],["dc.relation.issn","1439-4421"],["dc.relation.issn","0941-3790"],["dc.title","Analysis and Assessment of Modifications of the PEPP System Introduced by the PEPP Catalogue 2015"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]