Precise measurement of magnetic moment of short-lived β-emitting nuclei12B ( I π=1+, T 1/2=20.18 ms)

The spin polarized β-emitting nuclei¹²B (I ^π=1⁺,T _1/2=20.18 ms) were produced by the nuclear reaction¹¹B(d, p)¹²B and by the selection technique of the incident deuteron energy and the¹²B recoil angle following the nuclear reaction. The nuclear magnetic moment of the short-lived nuclei¹²B was measured by β-NMR with the β-NMR and β-NQR setup established for the first time in China. The nuclear magnetic moment of¹²B was determined to be μ=0.99993±0.00048 nm org=0.99993±0.00048 after the precise correction of the Knight shift.     

Stabilization of the spark-discharge point on a sample surface by laser irradiation for steel analysis.

A combined technique with laser irradiation is suggested to control spark discharge for analytical use, having a unique feature that firing points of the spark discharge can be fixed by laser irradiation. Because the spark discharge easily initiates at particular surface sites, such as non-metallic inclusions, called selective discharge, the concentration of some elements sometimes deviates from their average one in spark discharge optical emission spectrometry. Therefore, stabilization of firing points on a sample surface could improve the analytical precision.     

Hyperfine quantum beat of short-lived beta-emitter8Li polarized by the tilted foil technique

To disclose the basic mechanisms of nuclear polarization creation realized by the tilted foil technique, hyperfine quantum beats of the nuclear polarization of the short-lived beta-emitter⁸Li(I =2⁺,T _1/2=840 ms) were measured as a function of the distance between two tilted foils. From the observed beats of the⁸Li nuclear polarization, it was found that the Fermi-contact interaction of the⁸Li nucleus with the ground 1s-electron in LiIII plays a main role in the final stage of polarization transfer from polarized orbital electrons to the⁸Li nucleus.     

Quadrupole moment of41Sc by use of new nuclear quadrupole resonance detection

Quadrupole effects in -NMR spectra of⁴¹Sc(I =7/2^–,T _1/2=0.596 s) implanted in a TiO₂ single crystal were detected by use of a modified -NMR technique. Using the field gradient in the crystal determined by the pulsed-Fourier-transformed NMR of⁴⁵Sc in TiO₂, the quadrupole moment of⁴¹Sc has been determined as |Q(⁴¹Sc; 7/2^–)|=166±8 mb.     

Nuclear spin dependence of polarization enhancement by multi-tilted foils studied by short-lived beta-emitters8B and12B

In order to study the basic mechanism of polarization enhancement realized by the multitilted foil technique, nuclear polarization of short-lived beta-emitter⁸B(T_1/2=769 ms,I =2⁺) was induced. Utilizing up to ten tilted foils, the polarization enhancement was measured as a function of the foil numbers. The observed enhancement for⁸B was combined with the previous results for¹²B(I =1⁺,T _1/2=20 ms) which has the same atomic configurations but different nuclear spin. Analyzing these results in the framework of the classical vector model, the essential features of the enhancement depending on the nuclear spin was disclosed.     

First principles based mean field model for oxygen reduction reaction

A first principles-based mean field model was developed for the oxygen reduction reaction (ORR) taking account of the coverage- and material-dependent reversible potentials of the elementary steps. This model was applied to the simulation of single crystal surfaces of Pt, Pt alloy and Pt core-shell catalysts under Ar and O(2) atmospheres. The results are consistent with those shown by past experimental and theoretical studies on surface coverages under Ar atmosphere, the shape of the current-voltage curve for the ORR on Pt(111) and the material-dependence of the ORR activity. This model suggests that the oxygen associative pathway including HO(2)(ads) formation is the main pathway on Pt(111), and that the rate determining step (RDS) is the removal step of O(ads) on Pt(111). This RDS is accelerated on several highly active Pt alloys and core-shell surfaces, and this acceleration decreases the reaction intermediate O(ads). The increase in the partial pressure of O(2)(g) increases the surface coverage with O(ads) and OH(ads), and this coverage increase reduces the apparent reaction order with respect to the partial pressure to less than unity. This model shows details on how the reaction pathway, RDS, surface coverages, Tafel slope, reaction order and material-dependent activity are interrelated.     

Dehydration‐fragmentation mechanism of cathinones and their metabolites in ESI‐CID

Various cathinone‐derived designer drugs (CATs) have recently appeared on the drug market. This study examined the mechanism for the generation of dehydrated ions for CATs during electrospray ionization collision‐induced dissociation (ESI‐CID). The generation mechanism of dehydrated ions is dependent on the amine classification in the cathinone skeleton, which is used in the identification of CATs. The two hydrogen atoms eliminated during the dehydration of cathinone (primary amine) and methcathinone (secondary amine) were determined, and the reaction mechanism was elucidated through the deuterium labeling experiments. The hydrogen atom bonded to the amine nitrogen was eliminated with the proton added during ESI, in both of the tested compounds. This provided evidence that CATs with tertiary amine structures (such as dimethylcathinone and α‐pyrrolidinophenones [α‐PPs]) do not undergo dehydration. However, it was shown that the two major tertiary amine metabolites (1‐OH and 2″‐oxo) of CATs generate dehydrated ions in ESI‐CID. The dehydration mechanisms of the metabolites of α‐pyrrolidinobutiophenone (α‐PBP) belongs to α‐PPs were also investigated. Stable‐isotope labeling showed the dehydration of the 1‐OH metabolite following a simple mechanism where the hydroxy group was eliminated together with the proton added during ESI. In contrast, the dehydration mechanism of the 2″‐oxo metabolite involved hydrogen atoms in three or more locations along with the carbonyl group oxygen, indicating that dehydration occurred via multiple mechanisms likely including the rearrangement reaction of hydrogen atoms. These findings presented herein indicate that the dehydrated ions in ESI‐CID can be used for the structural identification of CATs.