Exchange enhanced sensitivity gain for solvent-exchangeable protons in 2D 1H-15N heteronuclear correlation spectra acquired with band-selective pulses

Conformational or chemical exchange can cause significant sensitivity loss in NMR spectroscopy through resonance broadening for nuclear spins involved in these processes. While this effect may sometimes be alleviated by manipulating experimental conditions such as temperature, pH, and buffers, conditions optimal for all resonances are not always achievable. As a consequence, any means of recovering or minimizing this exchange-induced sensitivity loss is potentially of significant value in regaining information otherwise lost. We report the experimental observation of significant sensitivity gain for nuclear spins undergoing chemical exchange with solvent (water) at exchange rates ca 1-10 s(-1) in (1)H-(15)N correlation spectra of proteins acquired with band-selective pulses (the SOFAST-HMQC sequence).     

Investigation on F–B–S tri-doped nano-TiO<Subscript>2</Subscript> films for the photocatalytic degradation of organic dyes

F–B–S tri-doped titanium dioxide thin films on common glass were prepared by a modified sol–gel method, in which tetrabutyl titanate (Ti(OC₄H₉)₄) was chosen as the precursor and boric acid (H₃BO₃), sodium fluoride (NaF), and thiourea (N₂H₄CS) were employed as boron, fluorine, and sulfur sources, respectively. The microstructure and optical property were characterized by X-ray diffraction, high-resolution field emission scanning electron microscopy, N₂ adsorption–desorption isotherms, photoluminescence spectrum, and UV–Vis diffraction reflectance spectroscopy. The photocatalytic performances were evaluated by decomposition of organic dyes in solution. The experimental results revealed that the F–B–S tri-doped TiO₂ thin film was composed of uniform round-like nano-particles with the size range of 5–8 nm. F–B–S tri-doping not only significantly promoted the UV-induced photodecomposition activities of TiO₂ films but also extended the optical response of TiO₂ red shift to visible light region, herein improving the visible light-induced degradation of organic dyes. The improvement mechanism by F–B–S tri-doping was also discussed.     

Study of the excitation properties of the Si3O2 cluster under an external electric field

The structure of the Si₃O_x (x=2, 3) cluster is investigated; we find that the geometry of Si₃O₂ is similar to that of Si₃O₃ except for the oxygen-deficient defect structure (Si-Si band) which exists only in the Si₃O₂ cluster. It is known that oxygen-deficient defects are used to explain visible luminescence (especially blue, purple and ultraviolet light) from silicon-based materials, which are directly bound up with the excited states of the molecules. Therefore the excitation properties of the two clusters are also studied. Our results show that the absorption spectrum of Si₃O₂ is concentrated in the visible light region. In contrast, the absorption spectrum of Si₃O₃ is mainly located in the ultraviolet light region. The calculations are perfectly consistent with experimental data and also support the theory of oxygen-deficient defects.     

Measurements on diproton emission from the break-up channels of ~(23)Al and ~(22)Mg

Two-proton relative momentum distributions from the break-up channels 23Al→p+p+21Na and 22Mg→p+p+20Ne at an energy of 60-70 A MeV have been measured together with two-proton opening angles at the projectile fragment separator beamline (RIPS) in the RIKEN Ring Cyclotron Facility. The results demonstrate the existence of diproton emission component from single-step 2He for highly excited 23Al and 22Mg.     

Level structures in the 114 In nucleus

High-spin states in ¹¹⁴In were populated using the reaction ¹¹⁰Pd(⁷Li, 3n)¹¹⁴In at a beam energy of 26MeV. The level scheme of ¹¹⁴In consisting of six bands is established up to excitation energy ～ 5MeV and spin ～ 17 ? with the addition of 58 new transitions and their configurations are discussed. The intense positive-parity dipole cascade may be interpreted as shears band based on $ \pi$ [(g _9/2)^-1] ? $ \nu$ [(g _7/2/d _5/2)(h _11/2)²] configuration. The $ \Delta$ I = 2 bands based on proton excitation have been observed in ¹¹⁴In for the first time.     

A wire microcalorimetric study of catalytic ignition of methane–air mixtures over palladium oxide

Catalytic ignition and heat release of methane oxidation over a Pd wire covered with a 1–2 μm PdO surface layer were investigated by wire microcalorimetry over the temperature range of 600–770 K and pressure range of 0.5–4 atm. Ignition temperatures and heat release rates for different methane concentrations (1–4 vol.% in dry air) were determined, showing that the ignition temperatures decrease with increasing the methane concentration and increasing ambient pressure. At total pressure of 1 atm and 2% methane concentration, the global activation energy for the catalytic reaction is 21.5 ± 0.9 kcal/mol and 14.3 ± 0.2 kcal/mol in the temperature ranges of 600–670 K and 670–770 K, respectively. The reaction order for methane is 0.9 ± 0.1 over the temperature range of 630–770 K.     

Ultra-low on-resistance high voltage (>600 V) SOI MOSFET with a reduced cell pitch

A low specific on-resistance (R S,on) silicon-on-insulator (SOI) trench MOSFET (metal-oxide-semiconductor-field-effect-transistor) with a reduced cell pitch is proposed.The lateral MOSFET features multiple trenches:two oxide trenches in the drift region and a trench gate extended to the buried oxide (BOX) (SOI MT MOSFET).Firstly,the oxide trenches increase the average electric field strength along the x direction due to lower permittivity of oxide compared with that of Si;secondly,the oxide trenches cause multiple-directional depletion,which improves the electric field distribution and enhances the reduced surface field (RESURF) effect in the SOI layer.Both of them result in a high breakdown voltage (BV).Thirdly,the oxide trenches cause the drift region to be folded in the vertical direction,leading to a shortened cell pitch and a reduced R S,on.Fourthly,the trench gate extended to the BOX further reduces R S,on,owing to the electron accumulation layer.The BV of the MT MOSFET increases from 309 V for a conventional SOI lateral double diffused metal-oxide semiconductor (LDMOS) to 632 V at the same half cell pitch of 21.5 μm,and R S,on decreases from 419 m · cm 2 to 36.6 m · cm 2.The proposed structure can also help to dramatically reduce the cell pitch at the same breakdown voltage.     

First-principles investigation of the electronic structure and magnetism of Heusler alloys CoMnSb and Co2MnSb

The spin-polarized electronic band structures, density of states (DOS), and magnetic properties of Co-Mn-based Heusler alloys CoMnSb and Co₂MnSb have been studied by first-principles method. The calculations were performed by using the full-potential linearized augmented plane wave (FP-LAPW) within the spin-polarized density functional theory and generalized gradient approximation (GGA). Calculated electronic band structures and the density of states are discussed in terms of the contribution of Co 3d⁷4s², Mn 3d⁵4s², and Sb 5s²5p³ partial density of states and the spin magnetic moments were also calculated. The results reveal that both CoMnSb and Co₂MnSb have stable ferromagnetic ground state. They are ideal half-metallic (HM) ferromagnet at their equilibrium lattice constants. The calculated total spin magnetic moments are 3μ_B for CoMnSb and 6μ_B for Co₂MnSb per unit cell, which agree with the Slater-Pauling rule quite well.     

Synthesis and luminescent properties of hexagonal BaZnSiO4:Eu2+ phosphor

A green-emitting phosphor of hexagonal BaZnSiO₄:Eu²⁺ was prepared by a combustion-assisted synthesis method and an efficient green emission from ultraviolet to visible light was observed. The luminescence and crystallinity were investigated by using luminescence spectrometry and X-ray diffractometry. In the hexagonal structure of BaZnSiO₄:Eu²⁺ phosphor, Eu²⁺ ions occupy three different lattice sites by substitution for Ba²⁺ ions. Eu²⁺ ions on Ba (1) and Ba (2) sites gave emissions at about 505 nm while Eu²⁺ ions on Ba (3) sites showed an emission band at 403 nm. The excitation spectrum is a broad band extending from 260 to 465 nm, which matches the emission of ultraviolet light-emitting diodes. The critical quenching concentration of Eu²⁺ in BaZnSiO₄:Eu²⁺ phosphor is about 0.05 mol. The value of the critical transfer distance is calculated as 10.97 Å. The corresponding concentration quenching mechanism is verified to be the electric multipole–multipole interaction. The CIE coordinates of the optimized sample $\mathrm{Ba}_{0.95}\mathrm{ZnSiO}_{4}{:}\mathrm{Eu}_{0.05}^{2+}$ were calculated as (x,y)=(0.172,0.463).     

Phase-change behavior in Si/Sb80Te20 nanocomposite multilayer films

Phase-change behavior in Si/Sb₈₀Te₂₀ nanocomposite multilayer films were investigated by utilizing in situ resistance measurements. It was found that the crystallization temperature increased firstly with increasing Si layer thickness within the multilayer films, and then remained almost unchanged at 170°C. The multilayer films have the merits of both good thermal stability and fast phase-change speed. An increase in crystallization temperature by around 95°C was observed for the multilayer films when the Sb₈₀Te₂₀ layer thickness was reduced to 3 nm. Cross-sectional transmission electron microscopy (TEM) observations revealed that Si/Sb₈₀Te₂₀ nanocomposite multilayer films had layered structures with clear interfaces. The reversible phase change between set and reset states was verified in phase-change random access memory (PCRAM) cell based on [Si (1 nm)/Sb₈₀Te₂₀ (5 nm)]₁₇ multilayer film.