Search results for "Proton NMR"
showing 10 items of 324 documents
1H NMR-based metabolomics studies of urine reveal differences between type 1 diabetic patients with high and low HbAc1 values
2012
Abstract The aim of this study was to investigate relation between level of HbAc1 and concentration of metabolites in urine of T1D patients. To test this hypothesis the 1 H NMR (proton nuclear magnetic resonance) target analysis of crucial urine metabolites combined with chemometric approach were applied. Urine samples were collected from 30 children and teenagers aged 4–19 with T1D and 12 healthy children, aged 9, as control group. Patients were divided into two groups according to their level of glycated hemoglobin (HbA1c): below (L-T1D) and above 6.5% (H-T1D). The multivariate data analysis (OPLS-DA) was used to explore data and generate the models for selected groups of patients. Two ta…
Towards the potential use of (1)H NMR spectroscopy in urine samples for prostate cancer detection
2014
A simple method based in multivariate analysis of 1H NMR spectra profiles of urine samples can be used to detect patients with prostate cancer.
Screening Ferroelastic Transitions in Switchable Cyano-Bridged Perovskites: [CH3C(NH2)2]2[KM(CN)6], M = Cr3+, Fe3+, Co3+. Crystal Structure Character…
2019
Here we report the dynamics of organic cations as guest molecules in the novel perovskite host framework. The novel switchable crystals from the coordination family [CH3C(NH2)2]2[KB″(CN)6] were con...
Dynamics of self-healing supramolecular guanine-modified poly(n-butyl methacrylate-co-hydroxyethyl methacrylate) copolymers
2020
Abstract Self-healing is a nature-inspired characteristic that is imparted in synthetic polymeric materials through the integration of reversible supramolecular bonds following different design concepts. Generally, the dynamics of supramolecular bonds regulates timescale of the self-healing process, specifically in polymeric systems with a homogeneous morphology. Herein, we explore the utility of guanine as a hydrogen bonding group to construct supramolecular polymeric systems based on poly (n-butyl methacrylate). For this purpose, we follow a three-step reaction approach, including a living radical copolymerization, deprotection of the functional comonomer, and grafting of the guanine grou…
Metabolite and mineral profiling of “Violetto di Niscemi” and “Spinoso di Menfi” globe artichokes by 1H-NMR and ICP-MS
2016
Globe artichoke has been long considered a nutraceutical food for its valuable content of bioactive compounds. However, beside a well-known polyphenol profile, poor information is available about its metabolite and mineral composition. The aim of this study was to investigate edible parts of Sicilian artichokes, ‘Spinoso di Menfi’ and ‘Violetto di Niscemi’, by 1H NMR and ICP-MS for elucidating these compositional aspects. Although bracts and hearts of both artichokes shared a very similar metabolite pattern, ‘Spinoso di Menfi’ showed a higher number of metabolites, such as amino acids and polyphenols, than ‘Violetto di Niscemi’. ‘Spinoso di Menfi’ was also marked by higher levels of macro- …
Aliphatic polycarbonates based on carbon dioxide, furfuryl glycidyl ether, and glycidyl methyl ether: reversible functionalization and cross-linking.
2014
Well-defined poly((furfuryl glycidyl ether)-co-(glycidyl methyl ether) carbonate) (P((FGE-co-GME)C)) copolymers with varying furfuryl glycidyl ether (FGE) content in the range of 26% to 100% are prepared directly from CO2 and the respective epoxides in a solvent-free synthesis. All materials are characterized by size-exclusion chromatography (SEC), (1)H NMR spectroscopy, and differential scanning calorimetry (DSC). The furfuryl-functional samples exhibit monomodal molecular weight distributions with Mw/Mn in the range of 1.16 to 1.43 and molecular weights (Mn) between 2300 and 4300 g mol(-1). Thermal properties reflect the amorphous structure of the polymers. Both post-functionalization and…
1H and 13C NMR signal assignment of synthetic (-)-methyl thyrsiflorin B acetate, (-)-thyrsiflorin C and several scopadulane derivatives.
2005
The 1H and 13C NMR signal assignment of the data of 13 scopadulane-type diterpenes is reported. It was based on one- and two- dimensional NMR techniques which included 1H, 13C, DEPT, HMQC and 1D NOE difference spectroscopy. Copyright © 2005 John Wiley & Sons, Ltd.
Fluorescent substituted amidines of benzanthrone: synthesis, spectroscopy and quantum chemical calculations.
2012
Abstract Several new substituted amidine derivatives of benzanthrone were synthesized by a condensation reaction from 3-aminobenzo[de]anthracen-7-one and appropriate aromatic and aliphatic amides. The obtained derivatives have a bright yellow or orange fluorescence in organic solvents and in solid state. The novel benzanthrone derivatives were characterized by TLC analysis, 1H NMR, IR, MS, UV/vis, and fluorescence spectroscopy. The solvent effect on photophysical behaviors of these dyes was investigated, and the results showed that the Stoke’s shift increased, whereas quantum yield decreased with the growth of the solvent polarity. The structure of some dyes was confirmed by the X-ray singl…
Synthesis, Structure and Conformation of Partially-Modified Retro- and Retro-Inversoψ[NHCH(CF3)]Gly Peptides
2003
Partially modified retro- (PMR) and retro-inverso (PMRI) psi[NHCH(CF(3))]Gly peptides, a conceptually new class of peptidomimetics, have been synthesized in wide structural diversity and variable length by aza-Michael reaction of enantiomerically pure alpha-amino esters and peptides with enantiomerically and geometrically pure N-4,4,4-trifluorocrotonoyl-oxazolidin-2-ones. The factors underlying the observed moderate to good diastereocontrol have been investigated. The conformations of model PMR-psi[NHCH(CF(3))]Gly tripeptides have been studied in solution by (1)H NMR spectroscopy supported by MD calculations, as well as in the solid-state by X-ray diffraction. Remarkable stability of turn-l…
Simultaneous Freezing of Chirality and In−Out Conformation of a Macropentacyclic Cryptand by Protonation
2004
Compound 1, a cryptand-derived macropentacycle, is a flexible molecule that encompasses many conformations (symmetrical, unsymmetrical, and chiral ones) depending on the observation temperature (VT 1H NMR). Selective monoprotonation of this molecule leads to a totally unsymmetrical, rigidly chiral species in solution (1H NMR). Helical chirality and in-out conformation of monoprotonated 1 are observed in the solid state by X-ray diffraction analysis, as well as the proton location. The latter is bound to the endo bridgehead nitrogen atom and involved in hydrogen-bonding interactions with the three closest sulfurs. Significant induction of chirality is triggered by reaction of 1 with the opti…