Miracle-dz/UniFAR-FTUs huggingface dataset:
Determination of Sucrose Content in Soybean Using Near-infrared Reflectance Spectroscopy

This study was to investigate near-infrared reflectance spectroscopy (NIRS) application for determination of individual soluble carbohydrate content in soybean seeds for development of high-quality new soybean variety and quality control of soy products. NIRS was used as a rapid and simultaneous analysis method to determine individual soluble carbohydrate content of soybean seeds in Korea. A total of 240 samples (about 2 g) were scanned in the reflectance mode and the reference values for the individual soluble carbohydrate contents were measured by high performance liquid chromatography. Calibration equation for individual soluble carbohydrate contents were developed using modified partial least-squares regression with internal cross validation (n=155). The equation for sucrose content had lower standard error of cross-validation, higher R2 (coefficient of determination in calibration), and higher ratio of unexplained variance divided by variance (1-VR) value than that for raffinose, and stachyose. Prediction of an external validation set (n=85) showed significant correlation between reference value and NIRS estimated value based on the standard error of prediction (SEP), r2 (coefficient of determination in prediction), and the ratio of standard deviation (SD) of reference data to SEP. The model for sucrose had higher value of RSP (ratio of standard deviation for prediction, the ratio of SD of reference data to SEP(C) in the external validation set) and r2 (3.50 and 0.921, respectively), thereby that equation has good quantitative accuracy, whereas those of raffinose, and stachyose had lower value (below 0.89 and 0.45, respectively). These results indicated that NIRS could be used to rapidly determine the content of sucrose in soybean seed samples in the breeding programs for development of high-quality new soybean variety.
Abiotic reduction mechanism of As(V) by fulvic acid in the absence of light and the effect of Fe(III)

In this paper, the mechanism of the redox cycling of arsenic under dark conditions was studied to help explain the high prevalence of As(III) in groundwater where no photochemical redox cycling is expected to occur. Most research has focused on the photochemical oxidation and reduction of metals and metal ions with dark redox cycling not given as much attention. A full understanding of the geochemical cycle and speciation of arsenic makes it equally important to study reduction of As(V) to As(III) under dark conditions. The reduction of As(V) by FA in the absence of light is hypothesised to occur via complexation, which can be greatly enhanced by the presence of iron. Fe(III) is envisaged to play two roles : It facilitates binding of arsenate by FA through intermetallic bridging which results in the reduction of As(V) to the intermediate As(IV). It can be reduced by FA to Fe(II) which then can reduce As(IV) to As(III). The reduction of As(V) is felt to occur in two one-electron steps, where the As(IV) is reduced by Fe(II). In solutions with no added Fe(III), binding of the negative arsenate by the negative FA occurs through inter-metallic bridging by cationic metals inherent in the FA. Competition from H+ ions for the binding sites on FA at lower pH results in the diminished reduction.
New Correlations of Volumetric Liquid-Phase Mass Transfer Coefficients in Gas-Inducing Agitated Tank Reactors

Abstract Volumetric liquid-phase mass transfer coefficient (kLa) is one of the most important parameters for the evaluation of the performance of a gas-inducing agitated tank (GIAT). In this paper, two equations in terms of power input per unit liquid volume (P/VL) and relative gas dispersion parameter (NI/Ncd), respectively, are developed according to data in literature. They can correlate existing kLa values within ±20% of measured ones for bladed impellers with different impeller submergence to tank diameter ratios in the range of 0.5 -1.23. In order to validate these equations, the liquid phase mass transfer coefficients in a continuous GIAT equipped with a 4-blade straight impeller were measured by removal of oxygen from water. It was found that the equation in P/VL criterion could correlate kLa values within ±12% of the experimental data, and the equation in NI/Ncd criterion could correlate kLa values within ±15.6% with an exception of 26.8% for NI = 16.7 Hz.
Aluminium(III) and Iron(III) 1,2-Diphenolato Complexes: a Potentiometric Study

The equilibrium reactions between aluminium(III) and the phenols catechol (LH2), protocatechuic acid (LH3) and catechin (LH4), and between iron(III) and protocatechuic acid have been studied by potentiometric titration in aqueous solution, I 0.10M ( KCl ), 25°C. Stability constants are reported for the mononuclear diphenolato complexes AlLHn-2, Al(LHn-2)2and Al(LHn-2)3, and the hydroxo complexes Al(OH)LHn-2 and Al(OH)(LHn-2)2, n = 2 ( catechol ) or 4 ( catechin ). For protocatechuic acid, the carboxylate -coordinated species lLH22+ and the species AlLH + (carboxyl- protonated ) are also postulated. Analogous species were characterized for the iron(III)- protocatechuic acid system. Stoichiometric end-points were obtained only if an excess of ligand was used (L/M > 4). Monomeric and polymeric aluminium- hydroxo species and ternary metal- ligand - hydroxo species were found to be unimportant under the experimental conditions employed.
Polymer electrolytes based on ionic liquids for lithium batteries

The new families of lithium-conducting ionic liquids; aromatic and aliphatic lithium salts based on perfluorosulfonate and perfluorosulfonylimide anions attached to an oligoether (methoxy polyethylene glycol mPEG) with different lengths were synthesized and characterized with the aim to improve the salt interaction with the host polymer's POE chains while keeping a high segmental mobility. They allowed obtaining membranes with lower crystallization degree and higher cationic transport number as compared with benchmarked salts. Their properties as lithium salts were investigated in two types of host polymers i.e. a linear polyether (POE) and a cross-linked polyether prepared by a ‘GREEN' process. Their oligooxyethylene moieties improve the lithium cation solvation leading to an increase in cationic transference numbers. Their electrochemical and thermal stabilities are suitable for lithium battery application.
Untersuchung der Hysterese hydraulischer Funktionen von Böden mittels inverser Simulation

Die Hysterese der hydraulischen Funktionen von Böden ist für die Beschreibung des Wasserund Stofftransportes unter instationären Fließbedingungen in der ungesättigten Zone von großer Bedeutung (Nielsen et al., 1986). In verschiedenen Arbeiten wurde gezeigt, welche Fehler beim Wasserund Stofftransport auftreten, wenn die Hysterese vernachlässigt wird. Zur Beschreibung der Hysterese stehen eine Reihe von Modellen zur Verfügung (z.B. Mualem, 1984; Scott et al., 1983). Die Bewertung der Modelleignung erfolgt in der Regel durch den Vergleich von gemessenen Punkten der Retentionscharakteristik mit den Modellfunktionen der Erstentwässerungskurve, Hauptbeund entwässerungskurve (main loops) und der Scanning-Kurven (scanning loops). Es wird hierbei davon ausgegangen, daß der Hysteresezustand durch Gleichgewichtsmodelle repräsentiert werden kann.
Kaolinite-potassium acetate and halloysite-potasium acetate complexes prepared by mechanochemical, solution and homogenization techniques: a comparative study

Abstract Kaolinite- and halloysite-potassium acetate complexes were synthesized by cogrinding with solid potassium acetate (mechanochemical intercalation). The efficiency of mechanochemical intercalation was compared to the intercalation in solution and by homogenization. The effects of ageing and grinding parameters (grinding time, sample:grinding body mass ratio (SGMR), rotational speed) and the humidity on the intercalation were studied. The degree of intercalation increased exponentially with ageing of the samples prepared by mechanochemical and homogenization techniques. For the mechanochemical and homogenization techniques the required amount of potassium acetate per gram of kaolin (~0.4 g/g) was two orders of magnitude lower than that for the solution intercalation (78.6 g/g). The highest degree of intercalation (86%) and the lowest structural deformation were achieved by the mechanochemical method (¼ h of co-grinding with 1:2 SGMR at 300 rpm), followed by 16 h ageing at 57% relative humidity.
DYNAMIC DISTRIBUTION OF 67GA-BLEOMYCIN COMPLEX AND CARRIER FREE 67GALLIUM IN NORMAL MICE

This study reports the labeling of Gallium-Bleomycin ( 67 Ga-BLM) complex as a radiopharmaceutical and optimization of its labeling conditions; pH, reaction time, temperature, concentration of bleomycin and its biodistribution in normal Bulb C mice. The biodistribution of the complex was compared with 67
Using dissolved gas analysis to investigate the performance of permeable reactive barriers

The strongly reducing nature of permeable reactive barrier (PRB) treatment materials can lead to gas production, potentially resulting in the formation of gas bubbles and ebullition. For this work degassing in the saturated zone of PRB systems due to the production of gases (primarily CO2 and CH4) is investigated using the depletion of Aland N2, naturally present non-reactive gases, in order to identify, confirm, and possibly quantify chemical and physical processes occurring. Dissolved gas sampling and analysis were conducted at three PRB sites designed for the treatment of groundwater contaminated by mining and industrial activities: the Nickel Rim Mine Organic Carbon PRB Site (Site I), the Campbell Mine Zero-Valent Iron (Fe)/ Organic Carbon Test Cell PRB (Site II), and the Columbia Nitrogen Fe/ Organic Carbon Mixed PRB Site (Site III). At Site I, residence times within the PRB are sufficiently long to allow gas production and degassing. A simple four-gas degassing model was used to analyze the data set, and the results indicate that sulfate reduction is by far the main process of organic carbon consumption within the barrier. The data provided additional information to delineate rates of microbially mediated sulfate reduction and to determine slow and fast flow zones within the barrier. Degassing was incorporated into reactive transport simulations for Site I in order to model 8 years of barrier operation. The simulations adequately reproduce observed dissolved gas trends, although no information on the volume change due to bubble formation or the fate of the trapped gas could be obtained. At Site II, residence times were short and the dissolved gas data could be used primarily as a transport tracer. Zones of preferential and of low flow could be identified within the PRB. At Site III, the strong resemblance of water composition upgradient and
Modeling PCN-61 and PCN-66: Isostructural rht-Metal–Organic Frameworks with Distinct CO2 Sorption Mechanisms

Simulations of CO2 sorption were performed in two members of the highly tunable rht-metal–organic framework (MOF) platform: PCN-61 and PCN-66. These MOFs differ only in the triisophthalate ligand used to synthesize the respective MOFs. In PCN-61, the center of the ligand contains a benzene ring; this ring is substituted with a triphenylamine group in PCN-66. There are two chemically distinct Cu2+ ions that comprise the copper paddlewheels, [Cu2(O2CR)4], in all rht-MOFs. One type of Cu2+ ion, denoted Cu1, projects into the truncated tetrahedral (T–Td) and truncated octahedral (T–Oh) cages, while the other Cu2+ ion, denoted Cu2, projects into the cuboctahedral (cub–Oh) cages. Electronic structure calculations revealed that, in PCN-61, the Cu2 ions have a significantly higher partial positive charge than the Cu1 ions, whereas the opposite was observed in PCN-66. The simulations revealed that the CO2 molecules sorb initially onto the Cu2+ ions that have the higher partial positive charge, i.e., the Cu2 ions i.
Combination of lignin polyol–tannin adhesives and polyethylenimine for the preparation of green water‐resistant adhesives

In this study, a green adhesive from renewable lignin and tannin was developed with polyethylenimine (PEI) with a method to improve the water resistance of the lignin/tannin adhesive. Lignin polyols were prepared through the liquefaction of oil-palm empty fruit bunches. The characteristics of the adhesive samples were compared with those of a commercial phenol–formaldehyde resin. Three plywood specimens bonded with the new adhesive showed a very high tensile strength (63.04 MPa) and were very water resistant. The effect of the solid content of the adhesives on the tensile strength and gel time and various weight ratios of PEI on the tensile strength and water resistance of the plywood specimens were evaluated. Thermal stability tests revealed that the lignin polyol–tannin/PEI adhesives had a high heat resistance (360 °C). © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43437.
User Application for Sports Climbing on Interactive Climbing Wall

요 약 도시민들의 다양한 여가활동의 요구로 날씨와 계절에 상관없이 즐길 수 있는 운동으로 실내 스포츠 수요가 급증 하고 있다. 이에 스포츠 클라이밍의 인기 또한 증가하고 있는 추세이다. 또한, ICT기술의 발전으로 스포츠 산업에서도 ICT융합이 활발히 진행 중이다. 이에 실내 스포츠 클라이밍은 ICT기술 융합이 용이한 환경으로 컴퓨팅 환경을 구성하기 적합하다. 따라서 ICT융합 스포츠 클라이밍에 대한 새로운 신조어 스크린 클라이밍이라는 말이 나오고 이에 대한 인터랙티브 인공 암벽이라는 연구가 진 행 되었다. 하지만 스포츠 클라이밍에서 사용되는 모바일 애플리케이션의 연구는 현저히 부족한 상황 이다. 현재 상용화되어 있는 클라이밍 애플리케이션은 일방적인 정보제공에 그쳐 정보의 확장 및 재생 산이 어렵고, 자신의 기록 측정 및 정리 과정이 번거롭다는 한계가 있다. 이에 본 논문에서는 인터랙 티브 인공 암벽 활용을 위한 모바일 애플리케이션을 제안하고 구현한다. 즉, 사용자가 실제로 쉽고 편 리하게 등반 루트와 등반 기술에 대한 정보를 제공받고 자신의 등반 기록을 관리할 수 있는 사용자 친화적 클라이밍 모바일 애플리케이션을 구현한다.
Caracterización de vinos del cv. Cariñena de la bodega Costers del Priorat procedentes de distintos terroir

The edaphoclimatic factors of each vineyard plot, together with the cultural practices and the wine heritage of the past, known as the concept of ‘’terroir’’determine the final expression of each wine. It is in the interest of the manufacturing companies to be able to determine the characteristics that differentiate the wines from the different estates, planted with the same variety, with vines of the same age, produced in a homogeneous way. In this work, the wines obtained from the old vines of the Carignan variety, coming from different plots within the Priorat Denomination of Origin, have been characterized by their polyphenolic composition and organoleptic evaluation. Polyphenolic compounds have been analyzed by spectrophotometric methods. The color parameters and concentrations of anthocyanins, tannins and polyphenols, the polymerization of tannins and their combination with salts, peptides and polysaccharides and also with anthocyanins have been determined. Differences have been found between the different parameters analyzed in the different wines. The wines from the Vella Vilella plot are the most concentrated, both for their alcoholic strength, total acidity and for the greater amount of their polyphenolic compounds. Paredes Velles and Costers d ́All wines have been the most organoleptically valued. This result has been related to the different disposition of the terrain, altitude and nature of the soil, which differentiate the wines of this plots from the rest of the wines studied.
Monolayer and Bilayer Graphene Functionalized with Nitrene Radicals

The covalent functionalization of graphene with nitrene radicals has been investigated employing first principles calculations. Perfect graphene is very reactive against nitrene radicals and the binding energy per NH group is significantly increased when the nitrene groups are agglomerated. For bilayer graphene, we determined that the presence of a second layer does not affect the reactivity of the upper layer from a thermodynamical stand point. High levels of functionalization are needed to open a band gap in nitrene-modified graphene. At the LDA, GGA, LDA+U and HSE06 levels, we did not observe band gap opening even for the addition of one NH group per 32 carbons. This result is in contrast with a recent experimental study that attributed the band gap opening of epitaxial graphene to the adsorption of one nitrene radical per 53 carbon atoms. The small amount of adsorbed nitrene radicals is also in contrast with our results that predicted a large reactivity. We attribute this discrepancy to the large size.
Deformation Of Viscous Drops In Flow ThroughSinusoidally Constricted Capillaries

The motion of neutrally-buoyant viscous drop in pressure-driven flow through a sinusoidally constricted capillary is examined at low Reynolds number. In the absence of inertial effects, the boundary integral formulation is used to determine the shape of the drop at various axial positions within the capillary. The position-dependent drop speed and the extra pressure loss due to the presence of the drop are also calculated, and the results for small to moderate drop sizes are reported. The effects of the amplitude of corrugation of the capillary wall on the mobility of the drop and the extra pressure loss are also presented.
Natural Convection of Water-Fine Particle Suspension in a Rectangular Cell

A water fine particle suspension with a uniform initial temperature and concentration in a rectangular cell is heated from a horizontal bottom, and temperatures at both vertical sides of the cell are kept at the initial temperature. This transient natural convection is experimentally studied. During the fall of particles, the suspension forms layers. Concentration of particles, average diameter, temperature for each layer and variation of heat transfer coefficient on the heated bottom wall with time are measured. The mechanisms of formation and vanishing of the layers are clarified.
Reduction of Carbonate Electrolytes and the Formation of Solid-Electrolyte Interface (SEI) in Lithium-Ion Batteries. 1. Spectroscopic Observations of Radical Intermediates Generated in One-Electron Reduction of Carbonates

Whereas there are numerous experimental and computational studies of electrochemical reduction leading to the formation of solid-electrolyte interface (SEI) in lithium-ion batteries, so far there have been no direct spectroscopic observations of radical intermediates involved in the SEI formation. In Part 1 of this series, radiolysis and laser photoionization of carbonate electrolytes are used to observe and identify these reaction intermediates using electron paramagnetic resonance spectroscopy. Our study indicates that the suggested scenarios for electrolyte reduction require elaboration. In particular, we establish the occurrence of efficient H abstraction and 1,2-migration involving radicals generated through the reductive ring-opening. Instead of the primary radicals postulated in the current models, secondary and tertiary radicals are generated, biasing the subsequent chemistry to radical disproportionation. The consequences of this bias for radical and anionic polymerization are examined, and it is.
Ultrathin PECVD epitaxial Si solar cells on glass via low‐temperature transfer process

Fabrication of high‐quality ultrathin monocrystalline silicon layers and their transfer to low‐cost substrates are key steps for flexible electronics and photovoltaics. In this work, we demonstrate a low‐temperature and low‐cost process for ultrathin silicon solar cells. By using standard plasma‐enhanced chemical vapor deposition (PECVD), we grow high‐quality epitaxial silicon layers (epi‐PECVD) from SiH4/H2 gas mixtures at 175 °C. Using secondary ion mass spectrometry and transmission electron microscopy, we show that the porosity of the epi‐PECVD/crystalline silicon interface can be tuned by controlling the hydrogen accumulation there. Moreover, we demonstrate that 13–14% porosity is a threshold above which the interface becomes fragile and can easily be cleaved. Taking advantage of the H‐rich interface fragility, we demonstrate the transfer of large areas (∽10 cm2) ultrathin epi‐PECVD layers (0.5–5.5 µm) onto glass substrates by anodic bonding and moderate annealing (275–350 °C). The structural properties of transferred layers are assessed, and the first PECVD epitaxial silicon solar cells transferred on glass are characterized. Copyright © 2016 John Wiley & Sons, Ltd.
Statistical mechanics of deuterium exchange reactions : relationships between equilibrium constants and enthalpies of reaction

Bertrand and Burchfield proposed that the equilibrium constants K and the (standard) enthalpies ΔH of isotopic exchange reactions are related by the equation K = Kstatexp(-ΔH/RT) in which Kstat is the statistical (random) equilibrium constant. The application of this equation to deuterium exchange reactions for which experimental K and ΔH values are available suggests that it is a good approximation at 298 K. In this paper we present a statistical mechanical analysis to account for the success of the equation and to point out its limitations.
Reducing Sample Quantity and Maintaining High Prediction Quality of Grassland Biomass Properties with near Infrared Reflectance Spectroscopy

Broad-scale ecological research often suffers from insufficient spatial and temporal replication. Near infrared (NIR) reflectance spectroscopy offers the opportunity for rapid and cheap measurements of many chemical constituents in organic materials. However, standard NIR instrumentation requires a certain amount of sample material which strongly restricts the fields of application for the NIR technique. Therefore, we tested if reliable predictions from NIR spectra can be obtained utilising a device that reduces the amount of required sample material by more than 95% compared to standard equipment. For large and small sample quantities, we present two sets of calibration models for C, N, P, K, Ca and Mg concentrations as well as fibre components such as neutral detergent fibre (NDF), acid detergent fibre (ADF) and acid detergent lignin (ADL) in above-ground grassland community biomass. Coefficients of multiple determination (R2) of calibration models based on spectral data derived from standard equipment for C, N, P, K, Ca, Mg, NDF, ADF and ADL were 0.78, 0.98, 0.78, 0.92, 0.87, 0.89, 0.95, 0.94 and 0.87, respectively. Except for C and P, the ratio of standard deviation of the reference values to the standard error of cross validation and ratio of performance deviation indicated acceptable to high model precision. The application of NIR spectroscopy for C and P measurements was limited due to low variation in concentrations and/or low concentrations in the analysed above-ground grassland biomass. As compared to the deviation of duplicate reference measurements, the standard error of prediction was less than two times higher for C, N, NDF, ADF, ADL and K and up to three times higher for P, Ca and Mg. Prediction models based on the spectral data recorded with a small sample cell (volume of sample material less than 0.25 cm3) were of similar precision. The significant reduction of sample material required for NIR analysis and, at the same time, maintaining (high) precision of calibration models is an important advance towards the wider adoption of the NIR technique in ecological research.