Methyl alpha- and beta-pyranosides of d-glucose and d-galactose 1-4 were prepared containing single sites of (13)C-enrichment at C4, C5, and C6 (12 compounds), and (1)H and (13)C[(1)H] NMR spectra were obtained to determine a complete set of J-couplings ((1)J, (2)J, and (3)J) involving the labeled carbon and nearby protons and carbons within the exocyclic hydroxymethyl group (CH(2)OH) of each compound. In parallel theoretical studies, the dependencies of (1)J, (2)J, and (3)J involving (1)H and (13)C on the C5-C6 (omega) and C6-O6 (theta;) torsion angles in aldohexopyranoside model compounds were computed using density functional theory (DFT) and a special basis set designed to reliably recover the Fermi contact contribution to the coupling. Complete hypersurfaces for (1)J(C5,C6), (2)J(C5,H6)(R), (2)J(C5,H6)(S), (2)J(C6,H5), (2)J(C4,C6), (3)J(C4,H6)(R), (3)J(C4,H6)(S), and (3)J(C6,H4), as well as (2)J(H6)(R)(,H6)(S), (3)J(H5,H6)(R), and (3)J(H5,H6)(S), were obtained and used to parametrize new equations correlating these couplings to omega and/or theta;. DFT-computed couplings were also tested for accuracy by measuring J-couplings in (13)C-labeled 4,6-O-ethylidene derivatives of d-glucose and d-galactose in which values of omega and theta; were constrained. Using a new computer program, Chymesa, designed to utilize multiple J-couplings sensitive to exocyclic CH(2)OH conformation, the ensemble of experimental couplings observed in 1-4 were analyzed to yield preferred rotamer populations about omega and theta;. Importantly, due to the sensitivity of some couplings, most notably (2)J(H6)(R)(,H6)(S), (2)J(C5,H6)(R), and (2)J(C5,H6)(S), to both omega and theta;, unique information on correlated conformation about both torsion angles was obtained. The latter treatment represents a means of evaluating correlated conformation in 1,6-linked oligosaccharides, since psi and theta; are redundant in these linkages. In the latter regard, multiple, redundant scalar couplings originating from both sides of the glycosidic linkage can be used collectively to evaluate conformational correlations between psi/theta; and C5-C6 bond rotamers.

A close relationship exists between soil organic carbon (SOC) and reactive iron; however, little is known about the role of iron in SOC preservation in permafrost regions. We determined the amount of SOC associated with reactive iron phases (OC‐Fe) in the permafrost regions of the Qinghai‐Tibetan Plateau (QTP). The results showed that the percentage of OC‐Fe ranged between 0.9% and 59.5% in the upper 30 cm of soil and that the OC‐Fe represented 19.5 ± 12.3% of the total SOC pool. No clear vertical distribution pattern in OC‐Fe was present in the upper 1 m of soil. Throughout the year, the OC‐Fe accounted for relatively stable proportions of the total SOC pool. This study suggests that approximately 20% of SOC is a potential rusty OC pool in the permafrost regions of the QTP. Biogeochemical processes related to the reaction of iron may play important roles in soil carbon cycles in permafrost regions.

Back-streaming neutrons through the incoming proton channel at the spallation target station of China Spallation Neutron Source (CSNS) has been exploited as a white neutron beam line (so-called Back-n), and a number of spectrometers for nuclear data measurements have been planned. With a thick tungsten target and modest moderation by the cooling water through the target

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