Published in Magnetic resonance in chemistry : MRC
Long-range heteronuclear single quantum correlation (LR-HSQC) experiments may be applied for detecting long-range correlations but suffer from two disadvantages, common to all heteronuclear long-range correlation experiments: (i) The information density in LR-HSQC spectra may be too high to be used directly without "filtering out" shorter range cor...
Published in Magnetic resonance in chemistry : MRC
The first efforts for the development of methods for Computer Assisted Structure Elucidation (CASE) were published more than fifty years ago. CASE expert systems based on 1D and 2D NMR data have matured considerably by now. The structures of a great number of complex natural products have been elucidated and/or revised using such programs. In this ...
Published in Magnetic resonance in chemistry : MRC
High-resolution NMR images on three different present-day wood samples and an archaeological wood specimen were presented and discussed. Although the spatial resolution is still low to perform dendrology for the exact identification of the wooden species, the T2 -spin-density weighted images exhibit contrasts that are in excellent agreement with op...
Published in Magnetic resonance in chemistry : MRC
In this article, we describe the acquisition of depth profiles, in particular of paint layers, in the static gradient of a high field magnet, providing a superior sensitivity. The main objective are reference profiles that help to understand scans made with noninvasive unilateral nuclear magnetic resonance (NMR), which often suffers from poor signa...
Published in Polymers
Bio-based thermosetting resins were synthesized from a ternary composition: humins; epoxidized linseed oil (ELO); and an industrial hardener, Capcure3-800 (CAP). Humins are in a focused attention in the last years, as biorefinery by-product, therefore its valorization through materials design is very important. Here we present a structural study of...
Published in Journal of Biomolecular Nmr
For interpreting the pressure induced shifts of resonance lines of folded as well as unfolded proteins the availability of data from well-defined model systems is indispensable. Here, we report the pressure dependence of 1H and 15N chemical shifts of the side chain atoms in the protected tetrapeptides Ac-Gly-Gly-Xxx-Ala-NH2 (Xxx is one of the 20 ca...
The chemical shift difference, Δσ, between the methylene and hydroxyl protons in the high resolution 1 H nuclear magnetic resonance spectrum of ethylene glycol is shown to be pressure dependent. The equilibrium Δσ values for ethylene glycol are reported as a function of temperature and pressure between ambient conditions, 323 K and 2 kbar, respecti...
Published in Russian Journal of Physical Chemistry B
AbstractIn this article 4-(((4-ethyl-5-(thiophene-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-6-methoxycoumarin compound (ETMM) has been synthesized and characterized both experimentally and theoretically. The synthesized compound was characterized experimentally by Fourier Transform Infrared (FT-IR), Nuclear Magnetic Resonance (NMR) and Ultraviolet (...
Published in Magnetic resonance in chemistry : MRC
Polychlorinated biphenyls are a class of persistent environmental contaminants, and micellar solubilization can be applied to remediate them. The intermolecular aggregates of biphenyl (BP) analogs and cetyltrimethyl ammonium bromide (CTAB) were studied by chemical shift perturbation, nuclear magnetic resonance (NMR) diffusometry, quantitative proto...
Published in Magnetic resonance in chemistry : MRC
With the rise in fluorinated pharmaceuticals, it is becoming increasingly important to develop new 19 F NMR-based methods to assist in their analysis. Crucially, obtaining information regarding the conformational dynamics of a molecule in solution can aid the design of strongly binding therapeutics. Herein, we report the development of a 2D 1 H-19 ...
