Miracle-dz/UniFAR-FTUs huggingface dataset:
Discrimination of Cooked Mochiminori and Koshihikari Rice Grains by Observation of Internal Hollows Using Light Transmittance Photography

We compared cv. Mochiminori as glutinous rice and cv. Koshihikari as non-glutinous rice using light transmittance photography and clarified that the maximum hollow width/grain width ratios at the hollow (hollow ratio) of Mochiminori and Koshihikari were different. The Mochiminori rice grain had a small hollow ratio or undetectable internal hollows, but the Koshihikari had a large hollow ratio. This agreed with the result by nuclear magnetic resonance micro imaging. In addition, grains from mixed cooking of the two cultivars were identified as Mochiminori or Koshihikari rice using light transmittance photography instead of the iodine dyeing method. The remaining iodine solution and the dyed grain samples were post-treated safely, because the iodine is toxic. Light transmittance photography easily discriminated Mochiminori or Koshihikari rice grains.
Statistical thermodynamics of semi-flexible chain molecules

Long-chain polymer molecules are approximated by a model consisting of isodimensional segments which tend to arrange themselves in co-linear succession. A fraction f of the bonds is assumed to be ‘bent’ out of the co-linear direction of preceding segments. The fact that the free energy of solution derived using the lattice model separates into (a) a mixing term dependent only on the concentration, and (b) a disorientation term depending on f but not on the concentration, leads to the concept of an equilibrium ‘flexibility’ f which is characteristic of the polymer chain at a given temperature. This f must exceed a specified critical value, which decreases with dilution, if the disordered phase usually considered to occur is to be more stable than an ordered one in which the chains assume their preferred rod-like form and lie parallel to one another. Transition between the two states should be co-operative, and should involve a latent heat (owing to the change in intramolecular configurational energy) even in the absence of a change in the intermolecular energy. The concept of a phase transition due solely to intramolecular forces thus arises. Configurational dimensions of various polymers are such as to suggest that inflexibility may be a dominant factor in causing them to crystallize. This is certainly true for cellulose derivatives, probably also for polytetrafluoroethylene, and possible for polymethylene as well. Intramolecular forces favouring the rod-like form are, doubtless of major importance also in bringing about crystallization of proteins in the α-form.
Reply to the Comment by Vidal, Dubacq, and Lanari on “The Role of H3O+ in the Crystal Structure of Illite”

The arguments of Vidal et al. (2010) against the incorporation of H3O+ rather than of H2O in the interlayer position of illite are disputable. Stoichiometric arguments do indeed suggest that the excess water in the Silver Hill illite is in the formof H3O+. No reason exists to assume less water content in the IMt-2 sample than in those determined by Hower and Mowatt (1966) and confirmed by the thermogravimetric analyses of Nieto et al. (2010). The comparison between element contents calculated from end-members and those from the structural formula in figure 1 of Vidal et al. (2010) is not an experimental result, but rather a trivial mathematical artifact. The fact that thermodynamic models, based on the incorporation of interlayer H2O in illite, may provide reasonable estimates neither proves nor disproves the presence of H3O+; this is because thermodynamics is a non-atomistic, macroscopic approach.
Copper(II) complexes with tetradentate bis(pyridyl)-dithioether and bis(pyridyl)-diamine ligands. Effect of thio ether donors on the electronic absorption spectra, redox behavior, and EPR parameters of copper(II) complexes

Etude par spectrometrie UV-visible et RPE, et par electrochimie, d'une serie de complexes du cuivre avec des coordinats tetradentes bis(pyridyl)-dithioether, ou bis(pyridyl)-diamine, pour determiner les effets des donneurs thioether sur les proprietes spectrales et redox de ces complexes
DATABASE FOR INELASTIC COLLISIONS OF LITHIUM ATOMS WITH ELECTRONS, PROTONS, AND MULTIPLY CHARGED IONS

New experimental and theoretical cross-section data for inelastic collision processes of Li atoms in the ground state and excited states (up to n = 4) with electrons, protons, and multiply charged ions have been reported since the database assembled by Wutte et al. [Atomic Data and Nuclear Data Tables65, 155, 1997] was published. These new data were included in a process of critical data assessment and led to the creation of a new database for the modeling of energetic lithium beams probing fusion edge plasmas. The electron-impact part of the present database covers excitation and ionization, the data having been extended by advanced close-coupling calculations which provide a new standard of quality especially for transitions between excited states. The heavy-particle impact processes include excitation and electron removal (the sum of ionization and electron capture). Hitherto, ion-impact excitation cross sections for lithium (except for the main Li(2s → 2p) process) were based on scaling relations using the corresponding electron-impact cross sections. We have now performed large-scale atomic orbital close-coupling calculations for a large number of excitation processes as well as new measurements toward development of the new database. The recommended cross sections for the considered processes have been fitted to simple analytic expressions. The analytic-fit expressions and the tables of the parameters entering these analytic fits are here presented. We also present the recommended cross sections in graphical form together with the underlying experimental cross section data if available.
Erratum to: Rational Formulation of Alternative Fuels using QSPR Methods: Application to Jet Fuels

435 >Effect of Surfactants on the Deformation and Detachment of Oil Droplets in a Model Laminar Flow Cell Etude de l’effet de tensioactifs sur la deformation et le detachement de gouttes d’huiles modeles a l’aide d’une cellule a flux laminaire V. Freville, E. van Hecke, C. Ernenwein, A. -V. Salsac and I. Pezron 445 > Investigation of Interfacial Phenomena During Condensation of Humid Air on a Horizontal Substrate Investigation de phenomenes interfaciaux au cours de la condensation d’air humide sur un substrat horizontal A. Tiwari, J.-P. Fontaine, A. Kondjoyan, J.-B. Gros, C. Vial and C. -G. Dussap
Effects of long‐term sample storage on the detection of bacterial cells using fluorescence in situ hybridization

Fluorescence in situ hybridization (FISH) is widely used to characterize bacterial community structure. However, a major limitation of the FISH technique is that the effectiveness of target cell detection varies widely over ecosystem types and with differences in methodology. Samples collected at sea often are stored for weeks or months before analysis using FISH, therefore quantifying the effects of storage on the detection of bacterial cells is crucial for comparing studies of bacterial community structure from diverse regions and ecosystems. Presented are the results of a 12‐month time‐course study during which replicate seawater samples were prepared, stored frozen, and hybridized after 0, 1.5, 3, 6, and 12 months to determine the effects of long‐term sample storage on hybridization efficiency and the characterization of community structure. The time‐dependent slope of the probe for Bacteria, but not the Cytophaga‐Flavobacteria cluster or the α‐ and γ‐Proteobacteria, was significantly different from zero, with a 6.3% change in target cell detection per year. This change in detection was small and within the typical error reported for bacterial counting. We conclude that during this 12‐month time‐course study there was a minimal effect of long‐term storage on the detection of bacterial cells using FISH.
Exploiting temporal nonlocality to remove scaling bottlenecks in nonadiabatic quantum dynamics

An extension of the full multiple spawning (FMS) method for quantum non-adiabatic dynamics that capitalizes on the global nature of quantum mechanics and on the deterministic nature of the FMS method is discussed. The FMS method uses a classically motivated time-dependent basis set for the wave function and here we demonstrate that the choice of a temporally nonlocal basis set can reduce the scaling of the dominant effort in ab initio multiple spawning from O(N2) to O(N), where N is the number of basis functions describing the nuclear degrees of freedom. The procedure is applied to a two-dimensional two electronic state model problem and we show that the temporally nonlocal basis set provides accurate expectation values and branching ratios over a broad range of energies.
Synthesis and Performance Study of Polybasic Starch Graft Copolymerization Function Materials

The graft copolymerization of mixed grafting monomers vinyl acetate and butyl acrylate onto grafting skeleton of corn starch have been investigated using ammonium persulfate as initiator. Starch based wood adhesive prepared by in emulsion synthesis have green material, superior property, low cost. The effects of various factors on the graft copolymerization were studied such as reaction time, reaction temperature, initiator concentration as well as match of mixed monomers. By single-factor tests, the optimum graft copolymerization conditions with higher grafting efficiency and grafting percent ratio correspond to the reaction time of 3h, the graft polymerization reaction temperature of about 65°C, the initiator concentration of 9.7×10-3mol/L, the mixed grafting monomers concentration of 1.0 mol/L, the volume ratio of vinyl acetate to butyl acrylate of 5:5. The starch graft copolymer after purification was characterized, and its properties were determined. IR spectra of graft copolymers indicated that the carbonyl group characteristic absorption peak existed at 1730～1740cm-1 besides that of starch. The XRD pattern showed there were several dispersion peaks, therefore the graft copolymerization was the concomitant structure of a little crystalline state and amorphous state. TG and DTA curves confirmed the occurrence of graft copolymerization, and showed that the thermal stability of starch copolymer was better than that of pure corn starch. Starch based wood adhesive is white or cream white emulsion paste, excellent emulsive properties and high temperature stability. All properties of starch based wood adhesive can meet the national standard HG/T2727 - 95 of polyvinyl acetate wood adhesive, and the compressive shear strength outdistances the national standard especially.
Volatile components of raw and smoked black bream ( Brama raii ) and rainbow trout ( Oncorhynchus mykiss ) studied by means of solid phase microextraction and gas chromatography/mass spectrometry

Solid phase microextraction followed by gas chromatographylmass spectrometry of raw and smoked black bream and rainbow trout was carried out. The volatile components of the raw fish belong to a limited number of groups of compounds. Raw black bream has a higher presence of acids than raw trout, while the latter contains more alcohols, hydrocarbons, esters and phenol derivatives; both contain similar concentrations of saturated aldehydes. The volatiles of the smoked fish basically comprise the compounds also detected in the raw fish together with others produced during the processing. Smoke components detected in both smoked fish species were mainly phenol, guaiacol and syringol derivatives, ketones, acetic acid and some polycyclic aromatic hydrocarbons. Smoked black bream contained a higher number and higher concentrations of smoke components than smoked rainbow trout. Large variations in concentrations of smoke components in the smoked fish samples indicated that the smoking process had not been totally homogeneous. The presence of autoxidatively derived compounds, such as unsaturated aldehydes, was mainly detected in some smoked bream samples, showing that this degradation process is not occurring homogeneously. The usefulness of the applied techniques for the study of volatile components of raw and smoked fish is shown. Le but de cette etude est d'etablir s'il existe des differences entre les composes volatils d'especes tres differentes de poissons dans des conditions d'alimentation et d'environnement differents. Elle determine aussi dans quelle mesure le procede de fumage modifie la composition de ces composes dans chacune des especes. L'utilite des techniques de microextraction en phase solide et de chromatographie gazeuse / spectrometrie de masse pour l'evaluation des composes volatils dans ces produits est demontree.
Criterion validity of an estimation general outcome measure for middle school mathematics

The present study addressed the importance of developing general outcome measures in mathematics using an estimation task. The study examined a general outcome measure estimation probe using data from 111 sixth grade students from a suburban area in Iowa. The estimation probe was compared to a formal test of estimation to establish validity. A moderately strong relation was obtained between the estimation probe and the formal estimation test. Further comparisons were made between the estimation probe and three criterion measures including teacher ratings, grade point in mathematics and composite scores in mathematics from the Iowa Test of Basic Skills. The estimation test in this study was also compared to the same criterion variables. The difference between each of the correlations was determined to be statistically insignificant. These resuhs indicated the probe in this study could be used interchangeably with the formal estimation test as an indicator of student proficiency in mathematics.
Reproducing injustice? : the roles of social institutions and policy actors in the persistence of inequalities in Aboriginal and Torres Strait Islander life expectancy

xv Chapter One. Persistent inequality in average life expectancy at birth between Aboriginal and Torres Strait Islander and non-Indigenous Australians: a critical realist response . 1 Social science, ontology and epistemology . 6 Social science . 6 Ontology and epistemology . 9 The researcher . 13 A critical realist ontological and epistemological position . 15 A critical realist literature review . 20 Chapter Two. Inequalities in life expectancy, health, and its social determinants between Indigenous and non-Indigenous Australians in the 21 century . 24 The empirical domain of reality . 24 Demography . 24 Average life expectancy at birth . 25 Inequalities in health . 27 Distribution of social determinants of health . 28 Socioeconomic status . 30 Imprisonment and juvenile detention . 33 Social mobility . 33 Racism and discrimination . 34 Denial of rights and power to exercise own intellectual traditions . 36 Limited representation in parliament . 37 Conclusion . 40
Measurement of the Energy Dissipated in the Electrostatic Spraying Process

Retarding potential and cylindrical electrostatic analyzer experiments have determined the equivalent voltage loss needed to electrostatically spray positively charged droplets of glycerol doped with sodium iodide. The cylindrical analyzer was also used as a mass spectrometer to identify in‐flight evaporation processes. Evaporation from discrete multimolecular droplets containing one sodium ion in conjunction with low numbers of glycerol molecules was identified. The kinetics of this process made it possible to assign an energy loss of 400±200 V for the spraying process.
Inexpensive ionic liquids: [HSO4]−-based solvent production at bulk scale

Through more than two decades’ intensive research, ionic liquids (ILs) have exhibited significant potential in various areas of research at laboratory scales. This suggests that ILs-based industrial process development will attract increasing attention in the future. However, there is one core issue that stands in the way of commercialisation: the high cost of most laboratory-synthesized ILs will limit application to small-scale, specialized processes. In this work, we evaluate the economic feasibility of two ILs synthesized via acid–base neutralization using two scenarios for each: conventional and intensification processing. Based upon our initial models, we determined the cost price of each IL and compared the energy requirements of each process option. The cost prices of triethylammonium hydrogen sulfate and 1-methylimidazolium hydrogen sulfate are estimated as $1.24 kg−1 and $2.96–5.88 kg−1, respectively. This compares favourably with organic solvents such as acetone or ethyl acetate, which sell for $1.30–$1.40 kg−1. Moreover, the raw materials contribute the overwhelming majority of this cost and the intensified process using a compact plate reactor is more economical due to lower energy requirements. These results indicate that ionic liquids are not necessarily expensive, and therefore large-scale IL-based processes can become a commercial reality.
Heat‐Generation Rate and General Energy Balance for Insertion Battery Systems

A general energy balance has been developed for insertion battery systems by using enthalpy potentials. This leads to a new calculation method for the heat-generation rate. The same result is also derived from an alternative model based on local heat generation in an electrochemical cell. A new concept, the effective open-circuit potential of an insertion battery, was proposed to characterize the open-circuit state of the battery during galvanostatic discharge. Simulation results are presented for heat generation in a lithium cell under galvanostatic discharge. The analysis of these results focuses on effects of the shape of the open-circuit potential and ohmic losses in the electrolyte in the porous cathode. It is shown that a single reaction may look like two reactions due to the presence of two plateaus in the open-circuit potential.
Self-dewetting of perfluoroalkyl methacrylate films on glass

Side chain crystallization in spin cast films of polymethacrylates with perfluoroalkyl substituents (i.e., F(CF2)n(CH2)m−, n = 8, m = 2 and n = 10, m = 6) is shown to yield double layers of the hydrocarbon backbone and fluorocarbon side chains. Disordering to a smectic mesophase has been observed by differential scanning calorimetry and X-ray scattering. Regular packing of the side chains in the top layer at the polymer−air interface resulted in a very low critical surface tension of ca. 6 mN/m. Above the bulk isotropization temperature of the material, the multilayered structure collapsed resulting in a peculiar self-dewetting which could be observed directly by scanning force microscopy. On the basis of the dewetting behavior, three states have been distinguished depending on the film thickness: (i) At distances at least more than seven bilayers away from the flat substrate, the film melted according to the bulk isotropization temperature and demonstrated macroscopic dewetting of an ordered sublayer. (.
CALCIPOW: a program for calculating the diffraction by disordered lamellar structures

1. The crystallographic problem A general feature of materials built of layers is the variety of the stacks; the phyllosilicate family is a good example of such diversity. In their crystals, the layers can be translated in different ways and rotated, and mixed layering can occur. As a consequence, depending on the nature and proportion of stacking faults, the reflections are more or less broadened and/or shifted in comparison with those expected for ordered crystals. The determination of the stacking parameters then requires a modelling of the experimental diffraction patterns. Concerning the mixed-layering problem, a theoretical description of the diffraction was first presented by Kakinoki & Komura (1965). The general formalism for the diffraction by crystals containing translational or rotational stacking faults was described by
Biochar Effects on Soil Aggregate Properties Under No-Till Maize

Abstract Soil aggregates are useful indicators of soil structure and stability, and the impact on physical and mechanical aggregate properties is critical for the sustainable use of organic amendments in agricultural soil. In this work, we evaluated the short-term soil quality effects of applying biochar (0–10 kg m−2), in combination with swine manure (2.1 and 4.2 kg m−2), to a no-till maize (Zea mays L.) cropping system on a sandy loam soil in Denmark. Topsoil (0–20 cm) aggregates were analyzed for clay dispersibility, aggregate stability, tensile strength (TS), and specific rupture energy (SRE) using end-over-end shaking, a Yoder-type wet-sieving method, and an unconfined compression test in soil samples collected 7 and 19 months after final biochar application. The highest rates of biochar and swine manure application resulted in the highest aggregate stability and lowest clay dispersibility. Applying both amendments systematically increased TS and SRE for large aggregates (4–8 and 8–16 mm) but not for small aggregates (1–2 and 2–4 mm). Increased biochar application also decreased the friability index of soil aggregates. Based on X-ray visualization, it was found that aggregates containing larger amounts of biochar particles had higher TS and SRE probably because of bonding effects. Based on the improved soil aggregate properties, we suggest that biochar can be effective for increasing and sustaining overall soil quality, for example, related to minimizing the soil erosion potential.
Calculation of the Work of Adhesion of Solid-Liquid Interfaces by Molecular Dynamics Simulations

Colloids, polymer-nanocomposites or polymers and liquids in contact with extended surfaces are examples of systems in which interfaces play a crucial role. The stability of such materials is dominated by the thermodynamic properties of these interfaces. Further advances in the development of those materials require a better understanding of the connection between the interfacial intermolecular interactions and these thermodynamic properties. In our project, we develop algorithms to quantify thermodynamic quantities at the solid-liquid interface through molecular dynamics simulations and relate them to the intermolecular interactions and to the interfacial structure of the liquids. We illustrate our approach through the example of the water-graphene system which has intensively been discussed in the last few years. We also discuss the perspectives our approach opens in multiscale modelling of interfacial soft-matter systems.
Sediment Diatom and Metal Stratigraphy from Rocky Mountain Lakes with Special Reference to Atmospheric Deposition

We addressed the hypothesis that current levels of acidity in precipitation falling on Rocky Mountain National Park, USA, are greater than historical levels. Sediment cores from four subalpine lakes were sectioned and dated with 210Pb. The stratigraphic records of metals were used to detect trends in the deposition of Pb, Cu, Zn, and V because these metals are known to increase in areas receiving air masses polluted with fossil-fuel emissions. Diatom assemblages over time were used as indicators of change in lake water chemistry. Reconstructions of pH from four lakes were prepared using Index B, Index α, and predictive equations derived from an additional 19 lake surface sediments. The metal stratigraphy, diatom stratigraphy, and inferred pH profiles of the four study lakes indicate no historical influence on pH attributable to atmospheric deposition. Common to all four cored lakes, however, is a persistent increase in the deposition rate of Pb starting in the period between 1855 and 1905. The most likely.