Temperature-controlled molecular dynamics study on velocity-dependent threshold behavior of dynamic nano-friction

Laws of dynamic nano-friction (i.e., continuous wearless friction) were searched for under steady spatial distributions of the local quasi-temperature, by molecular dynamics (MD) simulations. The temperature control of the non-conservative model was carried out by extending the isothermal MD method using the Nosé–Poincaré thermostat. The results suggested that the threshold phenomenon characterizes sliding-velocity dependence of the nano-frictional force between crystal lattices constituting a nano-electromechanical system (NEMS). This phenomenon was turned out to be a universal feature, whether heat transfer to the environment exists or not.     

Accurate finite element method for atomic calculations based on density functional theory and Hartree–Fock method

An accurate finite element method is developed for atomic calculations based on density functional theory (DFT) within local density approximation (LDA) and Hartree–Fock (HF) method. The radial wave functions are expanded by cubic Hermite spline functions on a uniform mesh for , and all the associated integrals are analytically evaluated in conjunction with fitting procedures of the Hartree and the exchange–correlation potentials to the same cubic Hermite spline functions using a set of recurrence formulas. The total energy of atoms systematically converges from above, and the error algebraically decays as the mesh spacing decreases. When the mesh spacing d is taken to be , the total energy for an atom of atomic number Z can be calculated within error of ¹⁰−7 hartree for both the LDA and HF methods. The equal applicability of the method to DFT and the HF method with a similar degree of high accuracy enables the method to be a reliable platform for development of new functionals in DFT such as hybrid functionals.     

Colorimetric microdetermination of sulphites in foods by use of the modified rankine apparatus. IV.

Summary Detection and determination of traces of sulphites in foods was attempted by use of the modified Rankine apparatus and pararosaniline colorimetry. Replacement of alkaline titration reported previously by pararosaniline colorimetry lowered the absolute detection limit from 30 g (titration method) to 2 g. In view of clean analysis, in the color developing system, 0.1 N-sodium hydroxide was used in place of mercuric chloride solution commonly used as an absorbant of sulphites. In order to prevent oxidative decomposition of sulphites during operation, nitrogen gas was used as carrier instead of air. Dimedone and sodium azide were used for the elimination of aldehydes and nitrites, respecitvely, in the sample, which will disturb the color development of sulphites with pararosaniline-formaldehyde reagents. With this improved method, it was possible to determine the residual sulphites in frozen peeled shrimps, sugared beans and other foods with low sulphite contents accurately.

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Colorimetrische Mikrobestimmung von Sulfiten in Lebensmitteln bei Anwendung der modifizierten IV. Rankine Apparatur

Zusammenfassung Geringe Sulfitmengen in Lebensmitteln (geschälte Garnelen, gezuckerte Bohnen) können colorimetrisch bestimmt werden. Die neuentwickelte Methode beruht auf einer Kombination von colorimetrischer Bestimmung mittels p-Rosanilin und der Bestimmungsmethode nach Rankine. Auf diese Weise lassen sich Gehalte von 2 g noch genau bestimmen. Bei der Farbentwicklung wurde das giftige Quecksilbertetrachlorid durch 0.1 n-NaOH ersetzt, anstelle von Luft Stickstoff als Trägergas verwendet und somit eine Oxydation des Sulfits während der Bestimmung vermieden. Da Nitrit und Aldehyde die Farbentwicklung stören, wurde ihr Einfluß durch Dimedon und Natriumazid ausgeschaltet.

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Studies on the Analyses of Sulphites in Foods (IV)     

Uterine Deletion of Bmal1 Impairs Placental Vascularization and Induces Intrauterine Fetal Death in Mice

Recently, it was demonstrated that the expression of BMAL1 was decreased in the endometrium of women suffering from recurrent spontaneous abortion. To investigate the pathological roles of uterine clock genes during pregnancy, we produced conditional deletion of uterine Bmal1 (cKO) mice and found that cKO mice could receive embryo implantation but not sustain pregnancy. Gene ontology analysis of microarray suggested that uterine NK (uNK) cell function was suppressed in cKO mice. Histological examination revealed the poor formation of maternal vascular spaces in the placenta. In contrast to WT mice, uNK cells in the spongiotrophoblast layer, where maternal uNK cells are directly in contact with fetal trophoblast, hardly expressed an immunosuppressive NK marker, CD161, in cKO mice. By progesterone supplementation, pregnancy could be sustained until the end of pregnancy in some cKO mice. Although this treatment did not improve the structural abnormalities of the placenta, it recruited CD161-positive NK cells into the spongiotrophoblast layer in cKO mice. These findings indicate that the uterine clock system may be critical for pregnancy maintenance after embryo implantation.     

Extraction of low-toxicity nanodiamonds from carbonaceous wastes

Being innocuous, nanodiamonds find huge applications in bioimaging, drug delivery and biomedical sensing. Their synthesis is generally carried out by detonation or shock wave methods. This article reports novel, economical and risk-free extraction of nanodiamonds from carbonaceous waste (smoke deposits of Hawan kund). Structural and morphological studies of extracted material revealed that the nanodiamonds have a size range of 4–5 nm and consists of sp³ core and sp² shell. Extracted nanodiamonds contain various functional groups on its surface which make it suitable for various applications. Cytotoxicity assay revealed very less toxicity of extracted nanodiamonds, which makes them suitable candidate for biological applications. The proposed method offers the possibility of economical and detonation free production of nanodiamonds.     

Exploration on efficient similar sentences extraction

Measuring the semantic similarity between sentences is an essential issue for many applications, such as text summarization, Web page retrieval, question-answer model, image extraction, and so forth. A few studies have explored on this issue by several techniques, e.g., knowledge-based strategies, corpus-based strategies, hybrid strategies, etc. Most of these studies focus on how to improve the effectiveness of the problem. In this paper, we address the efficiency issue, i.e., for a given sentence collection, how to efficiently discover the top-k semantic similar sentences to a query. The previous methods cannot handle the big data efficiently, i.e., applying such strategies directly is time consuming because every candidate sentence needs to be tested. In this paper, we propose efficient strategies to tackle such problem based on a general framework. The basic idea is that for each similarity, we build a corresponding index in the preprocessing. Traversing these indices in the querying process can avoid to test many candidates, so as to improve the efficiency. Moreover, an optimal aggregation algorithm is introduced to assemble these similarities. Our framework is general enough that many similarity metrics can be incorporated, as will be discussed in the paper. We conduct extensive experimental evaluation on three real datasets to evaluate the efficiency of our proposal. In addition, we illustrate the trade-off between the effectiveness and efficiency. The experimental results demonstrate that the performance of our proposal outperforms the state-of-the-art techniques on efficiency while keeping the same high precision as them.     

Experimental study on relationship between heat parameter and angular distortion

It is well known that weld residual stress and distortion should be controlled appropriately for structural integrity. Recently, it has become much more necessary to control weld distortion to highly improve manufacturing efficiency. Various studies on control of weld distortion had been conducted based on clarification of influential dominant factors for that. The influential dominant factors had been studied from a viewpoint of temperature distribution in plate thickness section. Without considering moving the weld heat source, the temperature distribution is controlled by weld heat input (Q_net) per weld length. Angular distortion, which is controlled by temperature distribution along the direction of plate thickness (h), is controlled by heat input parameter (Q_net/h²). However, it has recently become known that the conventional results cannot be applied to all welding processes because such processes are becoming more diversified. It is significant for more accurate control of angular distortion to investigate once again the relationship between the heat input parameter and angular distortion. In this study, a series of experiments on the relationship between heat input parameter and angular distortion are carried out. The effects of welding current and welding speed are investigated individually in both TIG and MAG welding. The difference between these welding methods is also investigated. Based on the result, the effects of them are discussed in relation to temperature distribution during welding. It is considered that angular distortion is affected by temperature distribution not only in plate thickness section but also along welding direction. So, angular distortion is not always controlled by only the conventional heat input parameter because the heat input parameter is proposed as the influential dominant factor for temperature distribution in plate thickness section. It is concluded that generation characteristics of inherent strain should be considered in relation to three-dimensional temperature distributions during welding for more accurate control of angular distortion.     

Contamination levels of PCDDs, PCDFs and Co-PCBs in commercial baby foods in Japan

To examine dioxin contamination in commercial baby foods in Japan, congener analyses of polychlorinated dibenzo-p-dioxins (PCDDs), polychlorinated dibenzofurans (PCDFs) and coplanar polychlorinated biphenyls (Co-PCBs) were performed on 102 varieties of baby foods obtained from supermarkets in 2001-2002. The toxic equivalent quantity (TEQ) levels for dioxins in samples ranged from < 0.001 to 0.135 pg-TEQ/g wet weight when undetected or trace levels of congeners were taken as zero. Among 102 samples tested, 26 samples exceeded 0.010 pg-TEQ/g. The highest TEQ value was for "sardine, vegetables" (0.135 pg-TEQ/g), followed by "Japanese radish (daikon), sardine" (0.080 pg-TEQ/g). Thus, dioxins were detected at low levels in baby foods containing animal products such as fishes and/or dairy products.     

The kinetics of phenol decomposition under UV irradiation with and without H2O2 on TiO2, Fe–TiO2 and Fe–C–TiO2 photocatalysts

H₂O₂ used in the photo-Fenton reaction with iron catalyst can accelerate the oxidation of Fe²⁺ to Fe³⁺ under UV irradiation and in the dark (in the so called dark Fenton process). It was proved that conversion of phenol under UV irradiation in the presence of H₂O₂ predominantly produces highly hydrophilic products and catechol, which can accelerate the rate of phenol decomposition. However, while H₂O₂ under UV irradiation could decompose phenol to highly hydrophilic products and dihydroxybenzenes in a very short time, complete mineralization proceeded rather slowly. When H₂O₂ is used for phenol decomposition in the presence of TiO₂ and Fe–TiO₂, decrease of OH radicals formed on the surface of TiO₂ and Fe–TiO₂ has been observed and photodecomposition of phenol is slowed down. In case of phenol decomposition under UV irradiation on Fe–C–TiO₂ photocatalyst in the presence of H₂O₂, marked acceleration of the decomposition rate is observed due to the photo-Fenton reactions: Fe²⁺ is likely oxidized to Fe³⁺, which is then efficiently recycled to Fe²⁺ by the intermediate products formed during phenol decomposition, such as hydroquinone (HQ) and catechol.     

Source identification of nitrous oxide on autotrophic partial nitrification in a granular sludge reactor

Emission of nitrous oxide (N₂O) during biological wastewater treatment is of growing concern since N₂O is a major stratospheric ozone-depleting substance and an important greenhouse gas. The emission of N₂O from a lab-scale granular sequencing batch reactor (SBR) for partial nitrification (PN) treating synthetic wastewater without organic carbon was therefore determined in this study, because PN process is known to produce more N₂O than conventional nitrification processes. The average N₂O emission rate from the SBR was 0.32 ± 0.17 mg-N L⁻¹ h⁻¹, corresponding to the average emission of N₂O of 0.8 ± 0.4% of the incoming nitrogen load (1.5 ± 0.8% of the converted NH₄⁺). Analysis of dynamic concentration profiles during one cycle of the SBR operation demonstrated that N₂O concentration in off-gas was the highest just after starting aeration whereas N₂O concentration in effluent was gradually increased in the initial 40 min of the aeration period and was decreased thereafter. Isotopomer analysis was conducted to identify the main N₂O production pathway in the reactor during one cycle. The hydroxylamine (NH₂OH) oxidation pathway accounted for 65% of the total N₂O production in the initial phase during one cycle, whereas contribution of the NO₂⁻ reduction pathway to N₂O production was comparable with that of the NH₂OH oxidation pathway in the latter phase. In addition, spatial distributions of bacteria and their activities in single microbial granules taken from the reactor were determined with microsensors and by in situ hybridization. Partial nitrification occurred mainly in the oxic surface layer of the granules and ammonia-oxidizing bacteria were abundant in this layer. N₂O production was also found mainly in the oxic surface layer. Based on these results, although N₂O was produced mainly via NH₂OH oxidation pathway in the autotrophic partial nitrification reactor, N₂O production mechanisms were complex and could involve multiple N₂O production pathways.