NMR

Novel pocket spotted

Researchers have identified a new class of chemicals that bind to a previously unknown allosteric pocket-a pocket outside the enzyme active site-and inhibit the enzyme FPPS. The work could have implications for new treatments of bone diseases, Paget's disease and tumour-induced bone degradation.

Dipolar Halbach magnet stacks made from identically shaped permanent magnets for magnetic resonance

NMR Mandhalas (Magnetic Arrangement for Novel Discrete Halbach LAyout) are arrays of identically shaped magnets in a Halbach-type arrangement. They provide a simple and cost-effective way to generate high magnetic fields for mobile applications, for example, in magnetic resonance.

Fungal inspection

Two strains of microbial fungi isolated from soil and a commercial white-rot fungus have been tested for biodegradation of untreated, UV-, and heat-treated bisphenol A polycarbonate (PC) to see whether BPA release can be reduced. NMR and FTIR spectroscopy showed the formation of methyl groups due to the pre-treatment process, while EDAX analysis revealed surface oxidation of the PC.

Aqueous asymmetric acid

The first example of asymmetric catalysis with a Brønsted acid in aqueous solution has been reported by German chemists who used NMR spectroscopy and mass spectrometry to follow the reactions.

NMR goes bananas

A new type of multiply functionalized natural tetrapyrrole , known as Ma-FCC-61, is found in ripening or senescent parts of the banana plant as the breakdown of chlorophyll takes place. An NMR spectroscopic study reveals details and shows that these unique tetrapyrroles carry complex ester functions at the propionyl side chain. These colourful degradation products may act to attract fruit-eating animals that then spread the plant's seeds.

Problems, artifacts and solutions in the INADEQUATE NMR experiment

The INADEQUATE experiment can provide unequalled, detailed information about the carbon skeleton of an organic molecule. However, it also has the reputation of requiring unreasonable amounts of sample. Modern spectrometers and probes have mitigated this problem, and it is now possible to get good structural data on a few milligrams of a typical organic small molecule.

Cheating spectroscopy

REDOR, a new form of NMR has been used by researchers in the US to figure out why the cheatgrass weed out-strips soy crops, particularly in higher carbon dioxide. Their results have serious implications for agriculture in the face of climate change.

Palm-sized magnet

German researchers have developed a light, permanent magnet that is suitable for NMR and fits in the palm of your hand. Writing in Angewandte Chemie, they say it could be used for portable, high-resolution NMR instruments.

NMR gets inside lithium-ion batteries

A simple and precise method for "seeing" the chemistry taking place in a rechargeable lithium-ion battery using NMR spectroscopy has been developed by UK scientists. The work might help improve battery design to remedy flaws in this kind of power supply, such as rapid discharge and loss of charge capacity.

Forest fire phosphorus

Phosphorus NMR has been used to investigate the effects on the chemistry of phosphorus in soil as an indicator of nutritional quality for vegetation and tree growth following a forest fire.

Biting chemistry

US chemists have constructed a molecule that bites its own tail. Fed a diet of zinc ions the "ouroborand" will release its bite to let other smaller molecules into its cavity. Remove the Zn and it will bite again trapping the "guest".

Metabolic obesity

Evidence from NMR spectroscopic studies of individual metabolic profiles would suggest that the way our bodies digest and process nutrients in the food we eat is different for every person and could ultimately affect overweight and obesity problems.

Evolutionary approach to studying brain chemistry

Researchers have used a technique known as "directed evolution" to devise a novel contrast agent that could enable non-invasive magnetic resonance studies of the neurotransmitter, dopamine, in the brain.

Myrtle medicine

German researchers have successfully devised and implemented a total synthes of myrtucommulone A, tracking progress and structures using NMR spectroscopy. The compound is physiologically active in anticancer and antibacterial screens, and the synthesis opens up the potential for making simpler, but active analogues.

Copper, on the beat with NMR

The first NMR spectroscopy study of the copper site in an important blue metalloprotein, azurin, has been undertaken. Copper mediates many biochemical redox reactions and azurin plays an important role in catalysing electron transfer in cellular reactions.

Pinpointing prostate problems without surgery

Magnetic resonance spectroscopy, the molecular cousin of MRI could be used to pinpoint the exact location of prostate cancers and to determine the aggressiveness of a tumour, according to research published in the Science Translational Medicine. The approach could help guide treatment.

Two-dimensional <I>J</I>-resolved NMR spectroscopy: review of a key methodology in the metabolomics toolbox

Two-dimensional <font size=1><sup>1</sup></font>H <I>J</I>-resolved (JRES) NMR spectroscopy is widely used in metabolomics studies of plants and animals. This review provides a basic introduction to the technique and then discusses and recommends key strategies for both spectral acquisition and processing. Strategies for implementing JRES spectroscopy into the metabolomics toolbox are then considered, including for metabolic fingerprinting, metabolite identification and metabolite quantification.

The long and the long of it

A novel NMR technique has measured the largest distance between two atomic nuclei using NMR, demonstrating that tritium magic angle spinning NMR could be a promising tool for structural applications in the biological and material sciences.

Detailed, superficial approach to finding new drugs

An international team has used NMR spectroscopy to study neglected regions of key cell-surface proteins. They have found that these regions undergo minute conformational changes in response to drugs, a finding that could ultimately prove useful in the design of new drugs for a range of diseases.

The development of an NMR chemical shift prediction application with the accuracy necessary to grade proton NMR spectra for identity

An NMR chemical shift prediction system was developed that enables high throughput automatic grading of NMR Spectra. This system used atom connectivity, stereochemistry, and experimental solvent. The accuracy of the system was demonstrated to estimate proton chemical shifts with an average error of +/-0.16 ppm.


 
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