Magnetic Resonance in Chemistry

Cover image for Vol. 51 Issue 5

May 2013

Volume 51, Issue 5

Pages 255–319

  1. Review

    1. Top of page
    2. Review
    3. Research Articles
    4. MRC Letters
    1. Utilizing NMR and EPR spectroscopy to probe the role of copper in prion diseases (pages 255–268)

      Abdul-Hamid M. Emwas, Zeyad A. Al-Talla, Xianrong Guo, Suliman Al-Ghamdi and Harbi T. Al-Masri

      Article first published online: 24 FEB 2013 | DOI: 10.1002/mrc.3936

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      In this review, we highlight the current research that seeks to clarify the conformational changes associated with prion diseases and the role of copper in this mechanism. This is a comprehensive review, discussing different aspects of copper interaction with prion proteins including possible biological effects of copper interaction, copper coordination, and copper-protein binding affinity. On the basis of the reviewed literature, suggestions for future studies have been proposed in this review.

  2. Research Articles

    1. Top of page
    2. Review
    3. Research Articles
    4. MRC Letters
    1. Comparative molecular field analysis and comparative molecular similarity index analysis studies on 1H NMR chemical shift of NH group of diaryl triazene derivatives (pages 269–274)

      M. K. Rofouie, M. Salahinejad, J. B. Ghasemi and A. Aghaei

      Article first published online: 4 MAR 2013 | DOI: 10.1002/mrc.3935

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      Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methods were employed to develop three-dimensional quantitative structure–activity relationship (3D-QSAR) models of 1H NMR chemical shift of NH proton of diaryl triazene derivatives.

    2. Premicellar interaction of PEO–PPO–PEO triblock copolymers with partially hydrophobic alcohols: NMR study (pages 275–282)

      Jaroslav Kříž and Jiří Dybal

      Article first published online: 3 MAR 2013 | DOI: 10.1002/mrc.3942

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      Alcohols of similar structure are shown to affect the thermal aggregation of PEO–PPO–PEO block copolymers in aqueous solution according to their hydrophobicity and the temperature of the system. H-bond and hydrophobic interactions of the alcohols are cooperative and dynamic.

    3. Synthesis, NMR spectroscopic characterization and structure of a divinyldisilazane-(triphenylphosphine)platinum(0) complex: observation of isotope-induced chemical shifts 1Δ12/13C(195Pt) (pages 283–291)

      Bernd Wrackmeyer, Elena V. Klimkina, Thomas Schmalz and Wolfgang Milius

      Article first published online: 11 MAR 2013 | DOI: 10.1002/mrc.3943

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      The title compound was characterized by X-ray analysis in the solid state and by multinuclear magnetic resonance in solution, focusing on the determination of numerous absolute signs of spin–spin coupling constants. Isotope-induced chemical shifts 1Δ12/13C(195Pt) were measured from 195Pt NMR spectra of the title compound as well as of other Pt(0), Pt(II) and Pt(IV) compounds for comparison.

    4. Counterion influence on chemical shifts in strychnine salts (pages 292–298)

      Athena E. Metaxas and John R. Cort

      Article first published online: 11 MAR 2013 | DOI: 10.1002/mrc.3945

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      1H and 13C chemical shifts in four strychnine salts were found to exhibit distinct counterion dependencies in organic solvents but not in water. These dependencies can be used to easily distinguish different salts from one another.

    5. HMBC-1,n-ADEQUATE spectra calculated from HMBC and 1,n-ADEQUATE spectra (pages 299–307)

      Gary E. Martin, Kirill A. Blinov and R. Thomas Williamson

      Article first published online: 11 MAR 2013 | DOI: 10.1002/mrc.3946

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      Covariance processing of HMBC and 1,n-ADEQUATE data can be used to calculate HMBC-1,n-ADEQUATE spectra with high sensitivity. The calculated spectrum provides carbon-carbon connectivity information comparable to the m,n-ADEQUATE experiment but with far greater sensitivity and versatility since HMBC spectra with different nJCH optimization can be combined with the 1,n-ADEQUATE data.

  3. MRC Letters

    1. Top of page
    2. Review
    3. Research Articles
    4. MRC Letters
    1. Full assignment of the 1H NMR spectrum of heteroleptic polyazaaromatic Ru(II) complexes based on long-range interligand NOEs (pages 308–311)

      Epiphanie Mugeniwabagara, Luca Fusaro and Michel Luhmer

      Article first published online: 11 FEB 2013 | DOI: 10.1002/mrc.3931

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      Selective one-dimensional NOESY experiments can be used to detect long-range interligand NOEs that allow full assignment of the 1H NMR spectrum of polyaazaaromatic ruthenium(II) complexes of the general formula [Ru(L)2(L′)]2+, where L and L′ are symmetrical ligands.

    2. 1H and 13C NMR assignments of two new isomeric bisbenzylisoquinoline alkaloids from Cissampelos sympodialis Eichl. (Menispermaceae) (pages 312–315)

      Alexsandro Fernandes Marinho, Eduardo de Jesus Oliveira, Josean Fechine Tavares, Raimundo Braz Filho and Jose Maria Barbosa-Filho

      Article first published online: 28 FEB 2013 | DOI: 10.1002/mrc.3941

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      des-7′-O-methylroraimine (1) and epi-des-7′-O-methylroraimine (2), two new isomeric bisbenzylisoquinoline alkaloids were isolated and characterized as a mixture from the rhizomes of Cissampelos sympodialis Eichl. The unambiguous structural elucidation of both isomers was performed with the aid of HR-ESI-MS, FT-IR, and NMR techniques including COSY, HMQC, HMBC, and NOESY.

    3. 1H and 13C NMR analysis of 2-acetamido-3-mercapto-3-methyl-N-aryl-butanamides and 2-acetamido-3-methyl-3-nitrososulfanyl-N-aryl-butanamide derivatives (pages 316–319)

      Rafael Germano Santana, Derisvaldo Rosa Paiva, Roberto da Silva Gomes and Adriana Karla C. A. Reis

      Article first published online: 11 MAR 2013 | DOI: 10.1002/mrc.3944

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      The assignment of the 1H and 13C NMR spectra of spectra of 3-mercapto-N-arylbutanamides and S-nitrosothiol derivatives with p-methoxy, o-chloro and m-chloro substituents is reported. The greater electronegativity of the S–NO group has a deshielding effect that is readily identified by downfield shifts in the resonance of the β-proton and α-carbon atoms attached in S-nitrosothiols (5–8). The remaining quaternary carbons were assigned mainly based on the HMBC spectra from 1 and 5.

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