Materials Literature
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These experiments assessed and quantitated the release of free manganese Mn++ from the hepatobiliary contrast agent Mn-DPDP (manganese dipyridoxal diphosphate), using several magnetic resonance techniques (EPR spectroscopy, 31P-NMR spectroscopy, and relaxometry) to differentiate between free Mn++ and Mn++ in complexes…
The structure of cubic ZrP(2)O(7) at room temperature has been solved and refined using a combination of modeling and high-resolution neutron powder diffraction data. The cell edge is 24.74 Å, the space group is Pa&thremacr;, and Z is 108. For those P(2)O(7) units not on a 3-fold axis, the P-O-P angles range from 134…
Attempts to discover molecular chromophores with large hyperpolarizabilities have largely focused on closed-shell organic species. This contribution explores the use of sum over states (SOS) perturbation theory and the computationally efficient intermediate neglect of differential overlap (INDO) model Hamiltonian, com…
In the present paper, we report an unprecedented selectivity in the products during singlet oxygen mediated oxidation of olefins included within dye-exchanged X and Y zeolites. Singlet oxygen is generated within a zeolite by irradiating a thiazine dye exchanged into zeolites. Oxazine and thiazine dye molecules can be…
Au-dispersed TiO2(anatase) thin films have been prepared by a novel method, liquid-phase deposition (LPD). The deposited films were characterized by XRD, XPS, TEM and UV–VIS absorption spectroscopy. The results showed that the titanium oxide thin film containing AuIII ions was formed from a mixed solution of ammonium…
Monolithic and transparent gels were prepared by mixing various ethoxide silicon precursors containing Si—CH3 and Si—H groups, the composition ensuring the same number of C—H and Si—H bonds. Pyrolysis of these samples was followed under helium flow by connecting thermogravimetry, gas chromatographic and mass spectrome…
We numerically analyze mesh entanglements in model polymer networks. We find G-${\mathit{G}}_{\mathit{ph}}$\ensuremath{\approxeq}0.85${\mathrm{\ensuremath{\rho}}}_{\mathit{ent}}$${\mathit{k}}_{\mathit{BT}}$, where ${\mathrm{\ensuremath{\rho}}}_{\mathit{ent}}$ is the entanglement density, G the shear modulus which was…
Hydrotalcite-like compounds containing Mg(II) and Cr(III) or Ni(II) and Cr(III) cations in the brucite-like layers have been synthesized by the coprecipitation method. The layered structure has been confirmed by Powder X-ray diffraction, and characterization has been completed by elemental chemical analysis, FT-IR and…
In this paper we report a comparative experimental thermochemical and ab initio quantum chemical study of metal−ligand bonding and bonding energetics in the group 3, lanthanide, group 4, and group 5 zerovalent bis(arene) sandwich complexes Sc(TTB) 2 ( 1 ) Y(TTB) 2 ( 2 ), Gd(TTB) 2 ( 3 ), Dy(TTB) 2 ( 4 ), Ho(TTB) 2 ( 5…
The heterobimetallic one-dimensional arrays {(DMF) 4 EuNi(CN) 4 } ∞ and {(DMF) 4 EuPt(CN) 4 } ∞ were prepared from the metathesis of (NH 3 ) x EuCl 2 with K 2 Ni(CN) 4 and K 2 Pt(CN) 4, respectively, in DMF. The analogous reaction between (NH 3 ) x YbCl 2 and K 2 Ni(CN) 4 in DMF or DMA resulted in oxidation of Yb 2+ a…
The performance of several different two-dimensional NMR methods for the measurement of carbon−proton dipolar couplings in liquid crystalline phases is analyzed. Proton-detected local field spectroscopy allows the measurements of short range C−H couplings, which correspond to directly bond pairs, by direct inspection…
Contact-angle measurements, the ASTM standard wetting test for polyolefin films, and X-ray photoelectron spectroscopy (XPS or ESCA) were used to characterize flame-treated polypropylene (PP) films. Two combustion models, STANJAN and PREMIX, were then used to determine the chemical and physical properties of the flames…
Fumarase C catalyzes the stereospecific interconversion of fumarate to L-malate as part of the metabolic citric acid or Kreb's cycle. The recent three-dimensional structure of fumarase C from Escherichia coli has identified a binding site for anions which is generated by side chains from three of the four subunits wit…
The electrochemical properties of poly(3,4-ethylenedioxythiophene) are studied using the bending beam method to detect volume changes during electrochemical transformations of the material. Thin films of poly(3,4-ethylenedioxythiophene) immersed in different supporting electrolytes first contract very rapidly and then…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTCationic Manganese(I) Dihydrogen and Dinitrogen Complexes Derived from a Formally 16-Electron Complex with a Bis-Agostic Interaction, [Mn(CO)(Ph2PC2H4PPh2)2]+Wayne A. King, Xiao-Liang Luo, Brian L. Scott, Gregory J. Kubas, and Kurt W. ZilmView Author Information Los Al…
The 7-fold mutation Cys201Met/Cys332Tyr/Lys344Asp/Tyr345Ile/Val35 1Ala/Tyr391Lys/Arg395Ser converts the cofactor specificity of Escherichia coli isocitrate dehydrogenase from a 7000-fold preference for NADP+ to a 200-fold preference for NAD+, with overall activity comparable to that of wild-type NAD+-dependent isocitr…
Ethlene preferentially attacks the oxygen closest to the titanium in HOO–Ti(OSiH3)3(MeOH) and HOO–TiL3(MeOH) cluster models of the active Ti-site in TS1 due to a substantially reduced electrostatic repulsion.
The magnetic behavior of the clusters [(PhSiO(2))(6)Cu(6)(O(2)SiPh)(6)].6EtOH (1), Na(4)[(PhSiO(2))(12)Cu(4)].8(n)()BuOH (2), and K(4)[(C(2)H(3)SiO(2))(12)Cu(4)].6(n)()BuOH (3) has been investigated by combined magnetic susceptibility measurements and variable-temperature EPR techniques (9.25 and 245 GHz). The six cop…
A systematic study of the properties and reactivities of iron(III) porphyrin peroxo complexes containing ligands with different electronic properties has been undertaken. While the spectral properties of the peroxo complexes do not show much variation, the stability of the complexes is dramatically increased by employ…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTHeterocyclic Betaines Exhibiting Extremely Large First Hyperpolarizability: Ab Initio and INDO/S CalculationsJiro Abe and Yasuo ShiraiView Author Information Department of Photo-Optical Engineering Faculty of Engineering, Tokyo Institute of Polytechnics Iiyama 1583, At…