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Recent experiments have confirmed the importance of nuclear quantum effects even in large biomolecules at physiological temperature. Here we describe how the path integral formalism can be used to describe rigorously the nuclear quantum effects on equilibr ...
A program is described, which allows the intensity contributions from naturally occurring heavy isotopes to be eliminated from the mass spectrometric ions of an artificially labelled compound. This allows the accurate measurement of the isotopomer distribu ...
The rates of intramolecular proton transfer are calculated on a full-dimensional reactive electronic potential energy surface that incorporates high-level ab initio calculations along the reaction path and by using classical transition state theory, path-i ...
The lithium isotope compositions (Li-7/Li-6) and Li/Ca ratios of shallow-water and deep-sea corals (Porites lutea, Cladocora caespitosa, Lophelia pertusa and Desmophyllum cristagalli) were measured using a Cameca ims 1270 ion microprobe. The two C. caespit ...
In systems with homonuclear scalar couplings, the envelopes of spin echoes obtained with simple refocusing pulses or trains of such pulses are normally modulated so that it is difficult to extract transverse relaxation rates. It has been shown recently tha ...
At a former wood preservation plant severely contaminated with coal tar oil, in situ bulk attenuation and biodegradation rate constants for several monoaromatic (BTEX) and polyaromatic hydrocarbons (PAH) were determined using (1) classical first order deca ...
Quantification of short-echo time proton magnetic resonance spectroscopy results in >18 metabolite concentrations (neurochemical profile). Their quantification accuracy depends on the assessment of the contribution of macromolecule (MM) resonances, previou ...
Pristine meteoritic materials carry light element isotopic fractionations that constrain physiochemical conditions during solar system formation. Here we report the discovery of a unique xenolith in the metal-rich chondrite Isheyevo. Its fine-grained, high ...
We report the first observation of long-lived states (LLS) having lifetimes TLLS that exceed the corresponding spin−lattice relaxation times T1 by more than a factor 6 in a protein. Slow diffusion coefficients characteristic of large biomolecules can be de ...
A rapid nanoLc-MS/MS method was developed and validated for the simultaneous determination of glutathionylated and cysteinylated precursors of 3-mercapto-hexan-1-ol (3MH) and 4-methyl-4-mercaptopentan-2-one in grape juice using stable isotope dilution assa ...
