Sm@C74: Computed Relative Isomeric Populations

Density-functional theory (DFT) calculations are reported for Sm@C₇₄, namely for Sm encapsulation in the IPR (isolated pentagon rule) C₇₄ cage and in two C₇₄ cages with a pentagon-pentagon junction. Their relative thermodynamic production yields are evaluated using the DFT calculated terms and it is shown that the IPR-based Sm@C₇₄ endohedral prevails at relevant temperatures in agreement with observation, however, isolation of a minor isomer could be possible.     

Purification and characterization of a novel extracellular beta-1,3-glucanase produced by Bacillus clausii NM-1 isolated from ezo abalone Haliotis discus hannai

A novel extracellular alkaline stable beta-1,3-glucanase produced by Bacillus clausii NM-1 isolated from the ezo abalone Haliotis discus hannai was purified by ammonium sulfate precipitation, DEAE-Sepharose FF ion exchange chromatography and Sephacryl S-200HR gel filtration. The molecular weight of the purified enzyme was estimated to be 71 kDa from sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE). The enzyme was very stable at pH 5.3 to 11.5 but unstable at pH 4.0 to 4.5. The optimum temperature and thermostability of the enzyme increased in the presence of CaC1, The enzyme hydrolyzed R-1,3-glucan from marine organisms, but did not show activity against any other beta-1,3-glucans. The major hydrolysis products of beta-1,3-glucan from Laminaria digitata and Eisenia bicyclis were laminaritriose and laminaritetraose, respectively. The N-terminal amino acid sequence of the purified enzyme was similar to that of several beta-1,3-glucanases in the glycoside hydrolase family 16.     

Role of Steric Hindrance in the Performance of Superplasticizers for Concrete

Interparticle potential energy calculations were performed to investigate the mechanisms by which a new class of concrete admixtures, generally referenced as poly(carboxylic acid)-type (PC) superplasticizers, which aid in dispersing cement particles, are formed. These calculations consisted of long-range Van der Waals, electrostatic, and steric interactions. The repulsive potential that resulted from electrostatic interactions was negligible, which would allow cement particles to flocculate in the absence of steric contributions. A model was developed to describe the adsorption behavior of these superplasticizers, which consisted of grafted polyethylene oxide (PEO) chains on a PC backbone on cement surfaces. Using this adsorption model, the influence of the length of the PEO molecular chain and the density per unit area on the steric contribution was quantified. Steric hindrance effects were the dominant stabilizing mechanism in this system. As expected, enhanced stability was observed with increasing adlayer thickness (and/or density). The results of this study may be useful in designing the molecular structure of this new and important class of dispersion aids for cement-based systems.     

Thermal shock fracture behaviour of ZrO2 based ceramics

Thermal shock fracture behaviour of alumina, mullite, silicon carbide, silicon nitride and various kinds of zirconia based ceramics, such as magnesia partially stabilized zirconia (Mg-PSZ), yttria and ceria doped tetragonal zirconia polycrystals (Y-TZP and Ce-TZP), Y-TZP/Al₂O₃ composites and yttria doped cubic stabilized zirconia (Y-CSZ), was evaluated by the quenching method using water, methyl alcohol and glycerin as quenching media. Thermal shock fracture of all materials seemed to proceed by the thermal stress due to convective heat transfer accompanied by boiling of the solvents under the present experimental conditions. Thermal shock resistance of zirconia based ceramics increased with increasing the fracture strength, but that of Y-TZP and Y-TZP/Al₂O₃ composites was anormalously lower than the predicted value.     

Process analytical technology applied for end-point detection of pharmaceutical blending by combining two calibration-free methods: Simultaneously monitoring specific near-infrared peak intensity and moving block standard deviation

Here, we describe a combination approach using Two Calibration-Free Methods with reflectance near-infrared (TCFM-NIR), which involves detecting end-points for active pharmaceutical ingredients (APIs) blending by simultaneously monitoring specific NIR peak intensity of APIs and calculating moving block standard deviation (MBSD). After determining the specific NIR peak range of nicaldipine hydrochloride, conditions for TCFM-NIR were established by monitoring the differential intensity of the second peak (1136 nm) while MBSD was calculated from the NIR peak intensity between 1100 and 1150 nm. In comparison with the validated reference method of UV-VIS spectroscopy, which is particularly destructive, TCFM-NIR was found to be useful in detecting end-points for blending of nicaldipine hydrochloride. TCFM-NIR monitors two important factors for estimation of blend uniformity: API concentration, using specific NIR peak intensity for APIs, and blend homogeneity, using MBSD. Also, the conditions of TCFM-NIR were confirmed to be adequate by using Partial Least Square (PLS). Further, simultaneously monitoring these two blend uniformity factors is more useful in preventing estimation errors for nondestructive monitoring of blend homogeneity than monitoring only one factor, as with NIR spectroscopy.     

Damping capacity improvement of machine structures by close packing with balls

This paper deals with an experimental investigation on damping characteristics of structures packed with balls. The structures for testing are square pipes packed with glass balls. The effects of impulse magnitude, square pipe dimensions, ball size and excitation directions on damping characteristics are investigated. The experiments show that the damping characteristics are markedly affected by the ball size, and the damping capacity is improved by the ball packing. It is also shown that the damping capacity is affected by the packing arrangements, packing ratio and repulsion coefficient. Dramatic improvement in damping capacity is achieved by leaving only a small space between the packed balls and the inner surface of the square pipe. This fact is confirmed experimentally.     

Suppression of chatter vibration of boring tools using impact dampers

In this study, improvement of the damping capability of boring tools and suppression of chatter vibration were attempted using impact dampers. Bending tests, impact tests and cutting tests were carried out, whilst widely varying the method of applying an impact damper to a boring tool. The effects of the amount of free mass and clearance, the overhang length of boring tools and their cutting condition were investigated. As a result, the following points were clarified.

(i)

The damping capability of boring tools is considerably improved using impact dampers.

(ii)

All three types of impact dampers used in the experiment can considerably suppress the vibration of boring tools in the vertical direction (principal force direction), but hardly suppress it in the horizontal direction (thrust force direction) where the amplitude is extremely small.

(iii)

In practical use, the method of equipping an impact damper on the flank face of a boring tool is desirable.

(iv)

Using an impact damper, it is possible to bore deeper holes in comparison with boring tools now on the market and to improve the efficiency of boring operations.

Action of 1-(11-selenadodecyl)-glycerol and 1-(11-selenadodecyl)-3-trolox-glycerol against lipid peroxidation

The antioxidant action on lipid peroxidation of the synthesized selenium compounds 1-(11-selenadodecyl)-glycerol (SeG) and 1-(11-selenadodecyl)-3-Trolox-glycerol (SeIrG, where Trolox=6-hydroxyl-2,5,7,8-tetramethylchroman-2-carboxylic acid) was investigated. We compared the reactivity of the selenium compounds toward peroxyl radicals and their inhibitory effect on lipid peroxidation, induced by several kinds of initiating species such as azo compounds, metal ions, and superoxide/nitric oxide in solution, micelles, membranes, and rat plasma. SeTrG, but not SeG, scavenged peroxyl radicals. SeG reduced methyl linoleate hydroperoxides in organic solution and in methyl linoleate micelles oxidized by ferrous ion (Fe²⁺)/ascorbic acid. In rat plasma SeG and SeTrG decreased the formation of lipid hydroperoxides generated by hydrophilic azo compounds. SeG and SeTrG spared α-tocopherol (α-TOH) consumption in multilamellar vesicle membranes oxidized by hydrophilic or lipophilic initiators, and only SeTrG spared α-TOH in superoxide/nitric oxide oxidized membranes. In rat plasma oxidized by radical initiators (either hydrophilic or lipophilic) or superoxide/nitric oxide, SeTrG suppressed α-TOH consumption, but SeG had no effect. The two selenium-containing compounds showed inhibitory effects on lipid peroxidation that depended on their structure, the medium where they acted, and the oxidant used.     

Sensory study of flavour compounds in extracts of salted salmon eggs (ikura)

Water soluble extracts were prepared from ikura and each component was analysed. Upon reconstruction of a synthetic ikura extract with pure reagents on the basis of the analytical data, flavour components were sensorily examined by an omission test. This revealed that only 12 components played an important role in producing the characteristic taste of ikura. The novelty of some nucleosides as taste factors is also discussed.