Search results for " nuclear magnetic resonance spectroscopy"

Steroidal saponins from Chlorophytum deistelianum

2016

Abstract Phytochemical investigation of the aerial parts of Chlorophytum deistelianum led to the isolation of four previously undescribed steroidal saponins called chlorodeistelianosides A–D with five known ones. Their structures were established mainly by extensive 1D and 2D NMR spectroscopic techniques and mass spectrometry as (25R)-3β-[(β- d -glucopyranosyl-(1 → 3)-[α- l -rhamnopyranosyl-(1 → 4)]-β- d -xylopyranosyl-(1 → 3)-[β- d -glucopyranosyl-(1 → 2)]-β- d -glucopyranosyl-(1 → 4)-β- d -galactopyranosyl)oxy]-5α-spirostan-12-one, (24S,25S)-24-[(β- d -glucopyranosyl)oxy]-3β-[(β- d -glucopyranosyl-(1 → 2)-[β- d -xylopyranosyl-(1 → 3)]-β- d -glucopyranosyl-(1 → 4)-β- d -galactopyranosyl)ox…

Antiproliferative oleanane saponins from Polyscias guilfoylei

2008

Three new oleanane saponins (1–3), together with four known ones (4–7), were isolated from the aerial parts of Polyscias guilfoylei. Their structures were elucidated by 1D and 2D NMR experiments, including 1D TOCSY, DQF-COSY, ROESY, HSQC, and HMBC spectroscopy, as well as ESIMS analysis. The antiproliferative activity of all compounds was evaluated using three murine and human cancer cell lines; J774.A1, HEK-293, and WEHI-164. All the compounds were inactive except for 3β- O-[β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl]-echinocystic acid 28-[ O-β-D-glucopyranosyl-(1→6) O-β-D-glucopyranosyl] ester (3), which was active against all the cell lines.

FARCOS, a new array for femtoscopy and correlation spectroscopy

2012

Correlations between two or more particles can be used as a tool to explore the space-time features of nuclear reactions as well as spectroscopic properties of produced unbound clusters. In order to have new options to study the mentioned correlations, FARCOS (Femtoscope ARray for COrrelations and Spectroscopy) has been conceived as a compact high resolution array, composed of square telescopes. In this work the main features of FARCOS array as well as part of the physics cases are described. © Owned by the authors, 2012.

Inimer-Promoted Synthesis of Branched and Hyperbranched Polylactide Copolymers

2009

A series of (hyper)branched poly(l-lactide)(PLLA) copolymers has been prepared by ring-opening multibranching copolymerization of l-lactide with a hydroxyl-functional (ABB′) lactone inimer, 5HDON (5-hydroxymethyl-1,4-dioxane-2-on). Polymerization was conducted in bulk and solution and catalyzed either by stanneous-2-ethyl hexanoate (Sn(Oct)2) or an organic base, 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD). Precise structural characterization of the resulting branched copolyester structures was accomplished by a combination of 2D NMR techniques, relying on the comparison with model compounds. The 5HDON inimer was employed in 1% to 20% fractions and is incorporated either as a dendritic unit or…

Interaction between flavour compounds and beta-lactoglobulin: approach by NMR and 2D/3D-QSAR studies of ligands

2004

 author cannot archive publisher's version/PDF; International audience; Interactions between flavour compounds and beta-lactoglobulin (BLG) have been the subject of several studies, but there are no unanimous binding site explanations. In our laboratory, interactions between BLG, and two flavour compounds, beta-ionone and gamma-decalactone, were studied by 2D-NMR spectroscopy. It appears that several amino acids affected by binding of gamma-decalactone are buried in the central cavity, whereas binding of beta-ionone affects amino acids located in a groove near the outer surface of the protein. 2D/3D-QSAR studies were performed using QSAR+ module of Cerius2 and Catalyst. The QSAR equation pr…

Billion-Fold Enhancement in Sensitivity of Nuclear Magnetic Resonance Spectroscopy for Magnesium Ions in Solution

2014

Beta-nuclear magnetic resonance (NMR) spectroscopy is highly sensitive compared to conventional NMR spectroscopy, and may be applied for several elements across the periodic table. Beta-NMR has previously been successfully applied in the fields of nuclear and solid-state physics. In this work, beta-NMR is applied, for the first time, to record an NMR spectrum for a species in solution. 31Mg b-NMR spectra are measured for as few as 10^7 magnesium ions in ionic liquid (EMIM-Ac) within minutes, as a prototypical test case. Resonances are observed at 3882.9 and 3887.2 kHz in an external field of 0.3 T. The key achievement of the current work is to demonstrate that beta-NMR is applicable for the…

Electron-Correlated Methods for the Calculation of NMR Chemical Shifts

2004

Solid-state 1H-NMR relaxation properties of the fruit of a wild relative of eggplant at different proton Larmor frequencies

2009

1H longitudinal relaxation time profiles (T1) at different proton Larmor frequencies were registered for a solid state plant tissue by using fast field cycling (FFC) nuclear magnetic resonance (NMR) spectroscopy. T1 distributions were obtained and the curves deconvoluted in order to differentiate among the different T1 components. Among the components, two were assigned to hydrophobic (e.g. fatty acids) and hydrophilic (e.g. saccharides) molecular systems, whereas the remaining others were attributed to bulk and bound water. This paper showed for the first time solid state FFC-NMR spectroscopy applied to plant tissue, and revealed that relaxometry is a very promising technique for studying …

Stereoselective synthesis and transformation of pinane-based 2-amino-1,3-diols

2021

A library of pinane-based 2-amino-1,3-diols was synthesised in a stereoselective manner. Isopinocarveol prepared from (−)-α-pinene was converted into condensed oxazolidin-2-one in two steps by carbamate formation followed by a stereoselective aminohydroxylation process. The relative stereochemistry of the pinane-fused oxazolidin-2-one was determined by 2D NMR and X-ray spectroscopic techniques. The regioisomeric spiro-oxazolidin-2-one was prepared in a similar way starting from the commercially available (1R)-(−)-myrtenol (10). The reduction or alkaline hydrolysis of the oxazolidines, followed by reductive alkylation resulted in primary and secondary 2-amino-1,3-diols, which underwent a reg…

A topology-constrained distance network algorithm for protein structure determination from NOESY data.

2005

This article formulates the multidi- mensional nuclear Overhauser effect spectroscopy (NOESY) interpretation problem using graph theory and presents a novel, bottom-up, topology-con- strained distance network analysis algorithm for NOESY cross peak interpretation using assigned resonances. AutoStructure is a software suite that implements this topology-constrained distance net- work analysis algorithm and iteratively generates structures using the three-dimensional (3D) protein structure calculation programs XPLOR/CNS or DY- ANA. The minimum input for AutoStructure in- cludes the amino acid sequence, a list of resonance assignments, and lists of 2D, 3D, and/or 4D-NOESY cross peaks. AutoStru…