329 items found

Organisations: RISIS2OpenData Tags: Computational Biology Environmental Sciences not elsewhere classified Molecular Biology

Filter Results
  • dataset

    r37980778c78--77decee5d844927dd218e6ce40954484

    We present a quantum mechanical/molecular mechanical (QM/MM) study using the AM1 Hamiltonian and a flexible MM part on the mode of action of the bovine lens leucine...
  • dataset

    Synthesis, Structure, and Isomerization of Decapentynylcorannulene:  Enediyne...

    Decapentynylcorannulene (5) is prepared via aryl−alkyne coupling chemistry of decachlorocorannulene and trimethylstannylpentyne. The crystal structure of 5 is compared with the...
  • dataset

    Nanosized (μ<sub>12</sub>-Pt)Pd<sub>164-</sub><i><sub>x</sub></i>Pt<i><sub>x<...

    Presented herein are the preparation and crystallographic/microanalytical/magnetic/spectroscopic characterization of the Pt-centered four-shell 165-atom Pd−Pt cluster,...
  • dataset

    Direct Catalytic Asymmetric Vinylogous Mannich-Type and Michael Reactions of ...

    Direct Catalytic Asymmetric Vinylogous Mannich-Type and Michael Reactions of an α,β-Unsaturated γ-Butyrolactam under Dinuclear Nickel Catalysis
  • dataset

    r37980778c78--cb93bf378e256de6af0e26fd4b2fa9a0

    Recent studies have demonstrated that the r-tctct isomer of ethylpyrogall[6]arene (6EPGR) can be readily isolated as a minor product of the synthesis of the corresponding...
  • dataset

    r37980778c78--bc5ecf0542338cb165e42220969b7425

    A robust, noncatenated, and permanently microporous metal−organic framework (MOF) material has been synthesized by combining a new nonplanar ligand,...
  • dataset

    r37980778c78--545011d4dd4486c56f37a2898bd5d021

    We present a quantum mechanical/molecular mechanical (QM/MM) study using the AM1 Hamiltonian and a flexible MM part on the mode of action of the bovine lens leucine...
  • dataset

    Role of the Ancillary Ligand <i>N</i>,<i>N</i>-Dimethylaminoethanol in the Se...

    Two types of dimeric complexes [Ln2(hfa)6(μ2-O(CH2)2NHMe2)2] and [Ln(thd)2(μ2,η2-O(CH2)2NMe2)]2 (Ln = YIII, EuIII, GdIII, TbIII, TmIII, LuIII; hfa- = hexafluoroacetylacetonato,...
  • dataset

    Nanoporous Amino Acid Derived Material Formed via In-Situ Dimerization of Asp...

    A new mixed-ligand three-dimensional metal−organic framework is reported, where one component, meso-iminodisuccinic acid, is formed in-situ by the dimerization of aspartic acid...
  • dataset

    Multiferroic Homochiral Metal−Organic Framework

    The hydrothermal reaction of (l)-ethyl lactate (Lig-Et) with Tb(ClO4)3·6H2O gives colorless block (Lig)2Tb(H2O)2(ClO4) (1), in which 1 displays a laminar 2D framework....
  • dataset

    Steric Influence on the Reactivity of Silyl-<i>o</i>-carboranes:  Oxidative-A...

    The reactivity of mono(silyl)- and bis(silyl)-o-carboranes (HSiR2)n(C2B10H12-n) (n = 1, R = Me, 1a; n = 1, R = Et, 1b; n = 2, R = Me, 3a; n = 2, R = Et, 3b) toward...
  • dataset

    r37980778c78--cb2f7e7bdd004676b2e120d51c4d86cc

    Cs+-Selective Ion Exchange and Magnetic Ordering in a Three-Dimensional Framework Uranyl Vanadium(IV) Phosphate
  • dataset

    r37980778c78--c1ad79ff55a20c4949a9681423ce3c39

    We present a quantum mechanical/molecular mechanical (QM/MM) study using the AM1 Hamiltonian and a flexible MM part on the mode of action of the bovine lens leucine...
  • dataset

    Changes of the Molecular Structure in Polyelectrolyte Multilayers under Stress

    Polyelectrolyte multilayers (PEMs) produced by layer-by-layer (LbL) self-assembly find different applications. Often the PEMs are exposed to mechanical stress which they have to...
  • dataset

    r37980778c78--04497b4f536281bee8e95f8059bb1301

    We present a quantum mechanical/molecular mechanical (QM/MM) study using the AM1 Hamiltonian and a flexible MM part on the mode of action of the bovine lens leucine...
  • dataset

    r37980778c78--c298b938c06b33098f75d78a6be3906f

    We present a quantum mechanical/molecular mechanical (QM/MM) study using the AM1 Hamiltonian and a flexible MM part on the mode of action of the bovine lens leucine...
  • dataset

    [(Pd−Pd)@Ge<sub>18</sub>]<sup>4-</sup>:  A Palladium Dimer Inside the Largest...

    The largest single-cage deltahedral cluster is made of 18 germanium atoms and is centered by a pair of palladium atoms. Its shape is very close to the ideal D3d symmetry...
  • dataset

    Heterometallic 3d−4f Polyoxometalate Derived from the Weakley-Type Dimeric St...

    Polyanion [{Ce(H2O)2}2Mn2(B-α-GeW9O34)2]8− (1) constitutes the first example of a heterometallic 3d−4f cluster related to the Weakley-type dimeric structure, and it contains an...
  • dataset

    Mitochondrial Complex I Subunits Are Decreased in Murine Nonalcoholic Fatty L...

    We investigate the cause of the low activity of mitochondrial complex I found in ob/ob mice with nonalcoholic fatty liver disease. In mitochondrial proteins from ob/ob mice, we...
  • dataset

    r37980778c78--06ac8688c063ee7512487ceee3592ead

    We present a quantum mechanical/molecular mechanical (QM/MM) study using the AM1 Hamiltonian and a flexible MM part on the mode of action of the bovine lens leucine...