Miracle-dz/UniFAR-FTUs huggingface dataset:
Grazing‐induced alterations of soil hydraulic properties and functions in Inner Mongolia, PR China

Abstract Increasing grazing intensities of sheep and goats can lead to an increasing degradation ofgrasslands. We investigated four plots of different grazing intensities (heavily grazed, winter-grazed, ungrazed since 1999, and ungrazed since 1979) in Inner Mongolia, PR China, in orderto study the effects of trampling-induced mechanical stresses on soil hydraulic properties. Soilwater transport and effective evapotranspiration under “heavily grazed” and “ungrazed since1979” were modeled using the HYDRUS-1D model. Model calibration was conducted using datacollected from field studies. The field data indicate that grazing decreases soil C content andhydrophobicity. Pore volume is reduced, and water-retention characteristics are modified, thesaturated hydraulic conductivity decreases, and its anisotropy (vertical vs. horizontal conductiv-ity) is influenced. Modeling results revealed higher evapotranspiration on the ungrazed site(ungrazed since 1979) compared to the grazed site (heavily grazed) due to wetter soil condi-tions, more dense vegetation, litter cover, and decreased runoff and drainage, respectively.Grazing modified the partitioning of evapotranspiration with lower transpiration and higher eva-poration at the grazed site owing to reduced root water uptake due to reduced evaporation anda patchy soil cover.
Accuracy of using different voxel sizes to detect osseous defects in mandibular condyle

Introduction: Clinical evaluation of temporomandibular disorders alone is insufficient and should be supported with radiological imaging modalities. Cone-beam computed tomography (CBCT) is the ideal method for evaluating bony components of temporomandibular joint. Objectives: The aim of this study was to present the ability of different voxel sizes in identifying osseous defects of mandibular condyle using CBCT images. Material and methods: The study sample consisted of nine dry human skulls (12 temporomandibular joints), containing fabricated osseous defects of different sizes (0, 0.8, 1, and 1.6 mm). The joints were imaged using five imaging protocols (0.400, 0.200, 0.150, 0.100, and 0.075 mm3). Evaluation of the fabricated defects was carried out by two different observers, who noted presence or absence of a defect. Kappa coefficients were calculated to assess the intraobserver and interobserver agreement for each setting. Sensitivity, specificity, accuracy, and positive and negative predictive values were used to compare the observers’ performance according to the gold standard and different defect diameters. Statistical significance was set at p < 0.05. Results: The best results for both observers in comparison with the gold standard were achieved at a voxel size of 0.075 mm3. The sensitivity, specificity, and accuracy generally increased with decreasing voxel size. Positive and negative predictive values increased with decreasing voxel size and increasing defect size. Conclusions: Obtaining CBCT scans with voxel sizes of 0.100 or 0.075 mm3 should be considered for the evaluation of osseous defects of mandibular condyle. A voxel size of 0.100 mm3 may be preferable due to lower patient’s irradiation dose.
Fuels Recovery from Municipal Solid and Liquid Wastes (MSLW)

The aim of the present study was to evaluate the effects of fuel recovery parameters as well as to determine the optimum conversion conditions. Municipal solid and liquid waste (MSLW) production and accumulation are global environmental issues. The waste products of a home include paper, containers, tin cans, aluminum cans, and food scraps, as well as sewage. Solid wastes can be utilized by direct combustion or converted to useful fuels and chemicals by pyrolysis and/or steam gasification processes. Sewage sludge can be converted to fuel briquette and organic fertilizer by the composting and briquetting processes. MSLW can also be evaluated in landfill gas production by anaerobic microbial decomposition. The yields of liquid and gaseous products from the municipal solid waste pyrolysis increase from 23.8 to 49.7% with increasing temperature from 584 to 683 K.
Nanocomposite alkyd coatings

Organophilic montmorillonite intercalants were prepared by a cation-exchange process between Na+ ions of montmorillonite and ammonium salt of octadecylamine. Fourier transform infrared (FTIR) spectrometry and X-ray diffraction analyses of the compounds were carried out. The layer spacings of both modified and unmodified montmorillonites were calculated with Bragg's law. FTIR and X-ray profiles showed organophilic characteristics for the modified montmorillonite, the layer spacing of which increased by two orders of magnitude with respect to that of the unmodified montmorillonite. The prepared organoclay was incorporated into an alkyd-based clear coating, and X-ray profiles showed an exfoliated structure for the organoclay alkyd coating. The application of the prepared organoclay to alkyd-based clear coatings showed a significant enhancement of the hardness and impact strength of the coating film compared with those of unmodified montmorillonite equally incorporated into the coating formulations. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 102: 2639–2642, 2006
Micro‐Raman spectroscopy of pigments contained in different calcium carbonate polymorphs from freshwater cultured pearls

The metastable calcium carbonate polymorph vaterite has recently been found to occur commonly in freshwater cultured pearls from Japan and China. Organic pigment molecules in these vaterite regions of freshwater cultured pearls were analysed by resonance and near-resonance micro-Raman spectroscopy, in single spectra and in mapping modes and are compared with their aragonitic counterparts. Four different excitation wavelengths (487.9, 514.5, 532.2 and 632.8 nm) were used, resulting in differential increase of resolution for the pigments. Although vaterite areas were always lightly coloured (light yellow, light brown or white), ten different pigments were identified and a single colour is formed by a combination of three and up to nine polyenes of different lengths. The molecules were identified as unmethylated polyenes with effective chain lengths between 8 and 12 conjugated double bonds and FWHMs of 10 ± 2 cm−1. Additionally, and for the first time in pearls, methylated polyenes were detected together with unmethylated pigments in aragonite. Polyenes with chain lengths shorter than 8 or longer than 12 were not found in vaterite, whereas both shorter and longer pigment chains were observed in aragonite from the same pearls. Pigments have lower concentrations in vaterite and are distributed more homogeneously, while they have higher concentrations in aragonite and are arranged along the annual growth lines of the pearls. Copyright © 2008 John Wiley & Sons, Ltd.
Thermal Dissociation of Gaseous Bradykinin Ions

Singly, doubly, and triply charged bradykinin ions have been dissociated thermally in a quadrupole ion trap operated with a bath gas comprised principally of helium at 1 mTorr. Dissociation rates as a function of bath gas temperature were measured along with product ion spectra. Studies were conducted to show that dissociation rates were independent of ion storage conditions and bath gas pressure. These studies indicate that good approximations to true Arrhenius parameters could be determined from Arrhenius plots using the bath gas temperature as a measure of the internal energy distribution of the parent ion population. Arrhenius parameters derived in this work agree with those reported recently using blackbody-induced radiative dissociation for the singly and doubly charged ions within experimental error. The spectrum of dissociation products were also very similar, reflecting the equivalency of the two methods for deriving Arrhenius parameters. Arrhenius parameters for the triply charged ion (Ea= 0.79 .
Effect of growth supporting additives on the performance of Auricularia auricula on Mansonia altissima A. chev sawdust.

Auricularia auricula (St. Aman’s) Berk was cultivated on Mansonia altissima sawdust with various additives (Brewer’s grain (BG), Corn chaff (CC), Oil palm fibre (OPF), Sorghum bicolor chaff (SC) and Wheat bran (WB) at different percentages (0%, 5%, 10% and 20%). The study was carried out to determine the effect of additives on the performance of the fungus on the substrate; M. altissima sawdust. The treated and untreated substrates with additives at different percentages were analyzed for lignocelluloses composition, macro element, C-N ratio and proximate composition. The result of this study showed that A. auricula reduced the lignocelluloses composition of M. altissima sawdust. The lignin content reduced from 7.97% (control) to 1.59% in 20%SC treated substrate. The macro elements (Ca, Mg, K, Na) compositions were low in all the treated substrate additives combination. The least was recorded in Na (25.8 84.5ppm), Ca (2.04% in control and 0.50% in 20%SC). The proximate composition showed that the substrate had an average moisture content of 50% 61%, low protein (4.85-0.60%), high carbohydrate and high ash contents compared to the control. The results of this study showed that A. auricula exhibited an increase in performance with increase in additives, with the most efficient at 20% for all the additives. It can also be concluded that wheat bran was the best out of the five additives used.
Helical Superstructures from a Poly(γ-benzyl-l-glutamate)−Poly(l-glutamic acid) Amphiphilic Diblock Copolymer: Monolayer Formation on Water and Its Specific Binding of Amino Acids

This study examines the monolayer properties of a novel amphiphilic diblock polymer of poly(γ-benzyl-l-glutamate) (PBLG)-block-poly(l-glutamic acid) (PLGA) (PBLG-b-PLGA) at the air−water interface and the binding of α-amino acids such as tryptophan, tyrosine, and phenylalanine to the monolayer surfaces. The block polymer, PBLG-b-PLGA, was synthesized via two steps: at first the PLGA block was prepared by polymerization of γ-benzyl-l-glutamate-N-carboxylic anhydride (BLG-NCA) with propylamine and then by removal of benzyl group, and subsequently the polymerization of BLG-NCA initiated with the amino group at the chain end of the PLGA was performed and gave a final product. PBLG-b-PLGA formed stable monolayers, in which the PLGA segment took an α-helix structure with above 95% helicity over the wide range of surface pressures and pHs. The helix orientaion was in almost perpendicular to the surface, being variable slightly by changing the surface pressure. These helix assemblies were found to have the abili.
Theoretical Study of Vibrational Frequencies and Chemical Shifts of Choline Halides (F, Cl, Br)

The vibrational frequencies and 1 H and 13 C chemical shifts of choline halides have been calculated using density functional theory (B3LYP) method with 6-311++G(d, p) and 6-31 G(d, p) basis set level in Gaussian 03 and Parallel Quantum Solutions (PQS) ab initio packages programs, respectively. The calculated optimized geometric parameters, vibrational frequencies and chemical shifts were seen to be a very good agreement with the experimental data. The electronegativity influence of the halogen substitutions on the vibrational frequencies and chemical shifts have also been investigated. It was observed that the chemical shifts for H nucleus, especially the most near nucleus to the halogen atom decrease while it increases for C nucleus. The roughly linear variation of the chemical shift with the electronegativity of the halogen, whatever the shielding for C nucleus or deshielding for H nucleus is, has been commented that the local electron density near the halogen atom is affected.
QUANTIFICATION OF METHANE EMISSIONS FROM NUTRIENT INTAKE AND DIGESTIBILITY OF RIVER BUFFALOES FED ON GREEN FODDERS

Fifteen male Murrah buffalo calves (15-18 months, 227.98±4.44 kg body weight), distributed in to 3 equal groups were fed solely on berseem (G1), oats (G2) or chicory fodder (G 3). A digestibility trial was conducted followed by methane measurement using SF6 tracer technique. No significant difference was observed in nutrient intake, other than crude protein, non-fibrous carbohydrates (NFC) and neutral detergent insoluble CP (NDICP). The digestible DM, OM, NDF and EE intake was similar in all the groups, whereas the digestible CP and NFC intake was lower in G2 compared to G1 and G3. Chicory and berseem fed groups emitted 12.2% and 5.2% less methane than oats fed group.The following regression equations were developed to estimate methane production, methane (g/kg BW) = 128.8553+ (167.7456 × dNDFI) + (216.32 × dCPI)- (40.3313 × dNFCI) and methane (g/d)= -1.7494+ (41.42 × NDFI)+ (39.8686 × CPI) + (0.5197 × NFCI).
Treatment of diffraction data from crystals twinned by merohedry

Crystals of the protein B-phycoerythrin from the red alga Porphyridium cruentum undergo twinning by merohedry in which the two members of the twin are related by rotation about (1,1,-1,0), a symmetry operation of the lattice but not of the crystals. Several methods are compared for estimation of the volume fractions of the two members of the twin so that measured data can be corrected for this twinning. The effect of these corrections on the final electron-density map is analyzed. Results show that when the volume fraction of the smaller crystal in a twinned specimen used for structure determination by multiple isomorphous replacement is 0-0.1, correction of diffraction data for twinning results in a small but significant improvement in the accuracy of the electron- density map.
Production of Biodiesel from Non-Edible Oil and effect of blending with diesel on fuel properties

Biodiesel is gaining more and more importance as an attractive fuel due to the depleting fossil fuel resources. Chemically biodiesel is mono alkyl esters of long chain fatty acids derived from renewable feed stock like edible oils and non edible oils. This paper discusses the production of biodiesel from Egyptian jojoba oil by transesterification with methanol in presence of an alkaline catalyst (KOH) to give the corresponding mono alkyl esters. The variables affecting the yield of the biodiesel produced were studied. The variables investigated were reaction time (0.5-3 .5h), catalyst concentration (0.3-2wt %), temperature (20-65 ˚C) and methanol: oil molar ratio (3:1- 10:1). From the results obtained, the best yield percentage was obtained using a methanol: oil molar ratio of 6:1, KOH as catalyst (0.5%) and 60 ± 1 oC temperature for 3 h. The true yield of biodiesel was determined according to GC-MS. From the results it was clear that the produced biodiesel fuel was in the recommended standards range of biodiesel fuel. Numerical correlation using regression analysis for the true yield of biodiesel produced in terms of the operating conditions of the transesterification process was presented. Finally, some biodiesel properties have been done and compared with pure diesel.
Conjugated linoleic acid formation by hydrogenation/isomerisation of safflower oil over bifunctional structured catalyst Rh/SBA‐15

Directed isomerisation of safflower oil under very low hydrogen partial pressure of 7 psi over a novel bifunctional highly structured rhodium-based catalyst (Rh/SBA-15), having narrow pore size distribution ranging from 4 to 8 nm, and BET-specific surface of ≈1,000 m2 g−1, was investigated as a new chemocatalytic approach for vegetable oil hardening and simultaneously producing health-beneficial conjugated linoleic acids (CLA). Time course profiles of (cis-9, trans-11)-; (cis-10, trans-12)-; (trans-10, cis-12)-; (cis,cis)- and (trans, trans)-octadecadienoic isomers (CLAs) as well as the other fatty acids traditionally encountered during the hydrogenation of vegetable oils are presented and discussed under selected process conditions. Preliminary results show that it is possible to tailor characteristics of the hydrogenation catalyst in such way to confer its bi-functional activity: hydrogenation and conjugation isomerisation. © 2011 Canadian Society for Chemical Engineering
Simultaneous HPLC Assay of Lenampicillin (Ampicillin Prodrug), Ampicillin, and Marker Compound for High‐Throughput in Vitro Assessment of Intestinal Absorption and Metabolism Using Caco‐2 Cells

Abstract A high performance liquid chromatographic assay method was established to simultaneously determine lenampicillin (ampicillin prodrug), ampicillin, and an absorption marker compound (antipyrine) for the high‐throughput in vitro assessment of intestinal absorption and metabolism using Caco‐2 cells. These compounds were determined using an octyl (C8) column, mobile phase consisting of 37% methanol and 10 mM NaH2PO4 in water (pH 4.5) at a flow rate of 1.5 mL/min, and a UV‐detector (200 nm). For lenampicillin, the slope and its S.D. of a typical calibration line going through the coordinate origin (peak area ratio of lenampicillin to internal standard versus lenampicillin concentration from 0.5 µM to 0.5 mM) were 2.91×10−3 and 1.83×10−5, respectively. The correlation coefficient (r) of the calibration line in the inter‐assays of lenampicillin was 0.9994 (coefficient of variation=0.04%). For ampicillin, the slope and its S.D. of a typical calibration line going through the coordinate origin (peak area ratio of ampicillin to internal standard versus ampicillin concentration from 0.5 µM to 0.5 mM) were 2.28×10−3 and 1.04×10−5, respectively. The correlation coefficient (r) of the calibration line in the inter‐assays of ampicillin was 0.9999 (coefficient of variation=0.01%). Lenampicillin absorption and metabolism to ampicillin were shown by this assay method.
Thiol-reactive Passerini-methacrylates and polymorphic surface functional soft matter nanoparticles via ethanolic RAFT dispersion polymerization and post-synthesis modification

RAFT dispersion polymerization (RAFTDP) is used to prepare reactive nanoparticles via the incorporation of Passerini-derived methacrylic comonomers containing pentafluorophenyl (PFP) groups. Copolymerization of 2-(dimethylamino)ethyl methacrylate with a Passerini comonomer gives copolymers suitable as macro-CTAs for ethanolic RAFTDP of 3-phenylpropyl methacrylate. Reaction of the PFP residues with functional thiols offers an approach for preparing surface modified nanoparticles.
Raising the bar of service quality: The role of the salesperson-organisation relationship and organisational citizenship behaviours

The authors develop a model of customer-contact service employee management that examines organisational citizenship behaviour as a critical link between aspects of the employee-organisation relationship (perceived organisational support, organisational identification, and job autonomy) and customers’ perceptions of service quality. In addition, the study sought to investigate the role of job autonomy in providing the necessary behavioural flexibility for employees to be able to engage in citizenship behaviours. The hypothesised model was partially supported. Theoretical and managerial implications are explored.
Atomistic simulations of interfacial mechanical characteristics of carbon nanotube/silicon nanocomposites

The interfacial mechanical properties of carbon nanotube (CNT)-reinforced silicon nanocomposites are investigated by using molecular dynamics simulation method. The hybrid potential that includes Tersoff_2 potential for Si–Si in the silicon matrix, AIREBO potential for C–C in the CNTs and the Lennard-Jones (LJ) potential for Si–C in the interface is used in the nanocomposite system. The effects of such parameters as the CNT chirality, the CNT diameter and the CNT embedded length, the defects (Vacancy defects, Stone–Wales defects), the size of model, the temperature, the bonding strength and the cut-off distance of the interfacial LJ potential of nanocomposites on the pull force and the average interfacial shear strength (ISS) are investigated and discussed. The results show that the toughness and the maximum tensile strength have been increased significantly by adding the CNTs into the Si matrix. Also by increasing the LJ bonding strength and the cut-off distance of the LJ potential, the pull force and the ISS are increased significantly. The CNT chirality, the CNT diameter and the CNT embedded length have a great influence on the pull force and the ISS, while the effects of temperature, the defects and the size of model are very slight.
Content-Based Model of Web Search Behavior: An Application to TV Show Search

We develop a flexible content-based search model that links the content preferences of search engine users to query search volume and click-through rates, while allowing content preferences to vary systematically based on the context of a search. Content preferences are defined over latent topics that describe the content of search queries and search result descriptions. Compared with existing applications of topic modeling in marketing and recommendation systems, our proposed approach can simultaneously capture multiple types of information and investigate multiple aspects of behavioral dynamics in a single framework that enables interpretable results for business decision making. To facilitate efficient and scalable inference, we develop a full Bayesian variational inference algorithm. We evaluate our modeling framework using real-world search data for TV shows from the Bing search engine. We illustrate how our model can quantify the content preferences associated with each query and how these preferences vary systematically based on whether the query is observed before, during, or after a TV show is aired. We also show that our model can help the search engine improve its ranking of search results as well as address the cold-start problem for new page links. This paper was accepted by Hamid Nazerzadeh, big data analytics.
Adsorption of Ionic Liquid onto Halloysite Nanotubes: Mechanism and Reinforcement of the Modified Clay to Rubber

An ionic liquid (IL), 1-butyl-3-methyl-imiazolium hexafluorophosphate [BMIm]PF6, was coated onto halloysite nanotubes (HNTs) in tetrahydrofuran–water mixture. The IL layers on the HNTs were confirmed by thermogravimetric analysis, diffuse reflectance infrared Fourier transform spectroscopy, determination of contact angle, and porosity analysis. The interaction between IL and HNTs, proposed to be hydrogen bonding, was verified by various spectral results such as Raman spectroscopy, nuclear magnetic resonance and X-ray photoelectron spectroscopy. Because of their interaction, the crystallization behavior of IL in the presence of HNTs was found to be changed, as indicated by the results of differential scanning calorimetry. The IL-coated HNTs (m-HNTs) were used as reinforcement for styrene–butadiene rubber. Compared with the compounds with uncoated HNTs, the uncured compounds with m-HNTs showed faster curing, and the resulting vulcanizates showed substantially higher tensile strength and much lower hardness. The unique changes in the compounds are correlated to the changes in filler dispersion and interaction between IL and HNTs.
Total Synthesis of Lavendamycin by a [2+2+2] Cycloaddition

The total synthesis of the bacterial-derived, pentacyclic, antitumor antibiotic lavendamycin has been achieved through a highly convergent strategy. The key step of this synthesis is a ruthenium-catalyzed [2+2+2] cycloaddition of an electron-deficient nitrile to an alkynyl-ynamide to prepare the carboline scaffold. The elaborate cycloaddition substrate is obtained in few steps by an N-ethynylation using alkynyliodonium salt chemistry and two palladium-catalyzed cross-coupling reactions. An efficient synthesis of a halogenated quinoline-5,8-dione building block starting from hydroquinone is presented.