Miracle-dz/UniFAR-FTUs huggingface dataset:
High-pressure X-ray diffraction study of bulk- and nanocrystalline GaN

Bulk- and nanocrystalline GaN have been studied by high-pressure energy-dispersive X-ray diffraction. Pressure-induced structural phase transitions from the wurtzite to the NaCl phase were observed in both materials. The transition pressure was found to be 40 GPa for the bulk-crystalline GaN, while the wurtzite phase was retained up to 60 GPa in the case of nanocrystalline GaN. The bulk moduli for the wurtzite phases were determined to be 187 (7) and 319 (10) GPa for the bulk- and nanocrystalline phases, respectively, while the respective NaCl phases were found to have very similar bulk moduli [208 (28) and 206 (44) GPa].
A measurement of the hyperfine structure of C17O

The electric quadrupole and magnetic dipole coupling constants for C17O have been determined from observations of the J = 1→0 emission lines in an interstellar cloud with sufficiently small velocity dispersion such that all three components are clearly resolved. The new values we derive are somewhat different from previous determinations based on partly resolved spectra and are eQq = 4337±56 kHz and CI = −30.4±1.2 kHz.
The Use of Small Molecules to Correct Defects in CFTR Folding, Maturation, and Channel Activity

Cystic Fibrosis, one of the most common inherited lethal disease among Caucasians, is caused by mutations in the Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) gene. The CFTR protein acts as a gated Cl - channel at the apical membrane of epithelial cells, thereby facilitating proper hydration of mucosal linings. Disease causing muta- tions in the CFTR protein can affect a variety of steps in the biogenesis of a functional protein including the folding and trafficking of CFTR as well as the channel activity of plasma membrane-localized protein. Therefore, current research is focused on the use of small molecules to not only correct folding defects but also to enhance channel activity of mutant CFTR proteins. This review discusses the current knowledge of the folding, trafficking, and gating defects caused by CFTR mutations, the manner by which these defects are monitored by the cell, as well as the strategies which are cur- rently being utilized to develop and screen for small molecule therapeutics.
Determination of Carbon-14 and Tritium in Blood and Other Whole Tissues. Liquid Scintillation Counting of Tissues

Liquid scintillation counting of carbon-14 and tritium in blood, heart, kidney, liver, spleen, lung, and muscle tissue was investigated. The dissolution of tissues into two different solvent systems and their counting are discussed. The effect of dilution of such solvent and color quenched solutions is shown. Some counting efficiencies obtained for carbon-14, tritium, and suIfur-35 in different tissues and their variation are presented along with a general procedure for counting tissue samples. The liquid scintillation counting of whole tissues, although not possessing the efficiency of combustion techniques, is particularly useful for the assay of large numbers of samples. (auth)
Optimal preparation conditions for some diester based synthetic lubricants

In this paper, work is reported on the esteriflcation of various materials, where di-2-ethythexyl esters of succinic, adipic, azelaic and sebacic acid were prepared. Water produced by the reaction was separated continuously and the reaction progress was followed up by measurement of the acid content. Factors affecting the esterification were studied and the optimal conditions for conversion of about 92% to 95% (by weight) were found to be: temperature — 179°C; molar ratio of add to alcohol — 1:2.4; catalyst concentration — 3% (by weight) based on acid; agitation rate — 350 r/min.
Scanning electrochemical microscopy as an etching tool for ITO patterning

This work presents a new patterning technique of Indium Tin Oxide (ITO) thin films using the microelectrode of a Scanning Electrochemical Microscope (SECM). With the development of new display technologies, patterned indium tin oxide (ITO) films have enormous growth potential and can find applications in any device that requires transparent and conductive electrodes. To optimize the performances of such devices, a clean patterning technique providing straight sidewalls and control of surface chemistry and physical properties is needed. We report here a simple and one-step patterning technique of ITO using scanning electrochemical microscopy as a soft etching tool. This electrochemical wet-lithographic technique provides a fast and low cost patterning process and is performed in an aqueous acid electrolytic solution. This maskless technique leads to a clean etching with straight walls and no redeposition of the ablated part. The subjacent substrate (glass or polymer) is not damaged by this technique and the electrical and/or optical properties of the remaining ITO film are preserved.
Conflgurational bias Monte Carlo: a new sampling scheme for flexible chains

We propose a novel approach that allows efficient numerical simulation of systems consisting of flexible chain molecules. The method is especially suitable for the numerical simulation of dense chain systems and monolayers. A new type of Monte Carlo move is introduced that makes it possible to carry out large scale conformational changes of the chain molecule in a single trial move. Our scheme is based on the selfavoiding random walk algorithm of Rosenbluth and Rosenbluth. As an illustration, we compare the results of a calculation of mean-square end to end lengths for single chains on a two-dimensional square lattice with corresponding data gained from other simulations.
Calamitic liquid crystals of 1,2,3-triazole connected to azobenzene: synthesis, characterisation and anisotropic properties

Azobenzene-based calamitic liquid crystals, 4-((4-(4-methoxymethyl-1,2,3-triazol-1-yl)phenyl)diazenyl)phenylalkanoates have been isolated and their structures were characterised. The structure–property correlation with respect to the different alkanoyloxy terminal chain (–COOCnH2n+1 where n adopts odd numbers ranging from 3 to 15) has also been given attention in the present study. In this series, all compounds exhibit smectogenic properties. The lower homologues shows enantiotropic SmA phase as well as monotropic SmC phase. The higher homologues exhibit homeotropic alignment of smectic phases. These compounds possess very high anisotropic inclination in which the mesomorphic region covers nearly 80°C.
X-ray structural studies of poly(3-alkylthiophenes): an example of an inverse comb

X-ray diffraction studies of oriented poly(3-n-alkylthiophene) (P3AT's) solution-cast films show that these samples are characterized by well-organized lamellar structures whereby stacks of planar thiophene main chains are uniformly spaced by the allyl side chains. In spite of considerable hydrocarbon chemical bonding and conformational disorder, a high degree of structural regularity is observed with appreciable three-dimensional ordering of the polymer chains. Analysis of the results leads to suggestive models in which an open packing of the alkyl chains is maintained with considerable side-chain disorder and side-chain mobility
Carbohydrate-coated lanthanide-doped upconverting nanoparticles for lectin recognition

In this study we have developed upconverting lanthanide (Ln3+)-doped nanoparticles conjugated with glycodendrimers capable of recognizing lectins based on luminescence resonance energy transfer (LRET). Poly(amidoamine) (PAMAM) dendrimers were adsorbed on the surface of NaGdF4:Er3+, Yb3+ upconverting nanoparticles (LnNPs) via direct ligand-exchange followed by efficient thiourea linkage formation between the amine surface and p-isothiocyanatophenyl α-D-mannopyranoside for covalent carbohydrate derivatization. The resulting water dispersible and biocompatible mannose-coated PAMAM-LnNPs were used to recognize a lectin, Concanavalin A (a mannose binding protein) conjugated with tetramethylrhodamine (RITC-Con A) via LRET from the upconverting mannose-coated PAMAM-LnNPs, which act as energy donors to the RITC-labeled lectin molecules serving as energy acceptors. The energy transfer phenomenon from the mannose-coated PAMAM-LnNPs, following 980 nm excitation, to the RITC-Con A was observed with increasing emissions at 585 nm, as the concentration of lectin increases. These novel carbohydrate-coated LnNPs prove to be a novel tool to monitor the binding interaction with lectins in aqueous samples.
Heat Capacities of Chloroanilines and Chloronitrobenzenes

Isobaric heat capacities in the liquid and solid phases of chloroanilines and chloronitrobenzenes were measured by using a highly sensitive Tian−Calvet differential scanning calorimeter in the temperature range from 270 K to 350 K. For some of the studied compounds, temperature and enthalpy of fusion were also determined. Data on liquid heat capacities obtained in this work, were merged with available literature data, critically assessed, and correlated as a function of temperature.
Diagnosis of west Nile neuroinvasive disease in humans

West Nile virus (WNV) is arbovirus distributed all around the world. In humans, 80% of infection cases are asymptomatic. In 20% of infected people, a febrile self-limiting illness is reported. WNV has the potential for fatal neuroinvasive disease. In 1% of cases, the infection may result in neuroinvasive disease with permanent neurological consequences or death outcome. Neurological forms may vary presenting with encephalitis, meningitis, meningoencephalitis or acute flaccid paralysis. Outbreaks with neurological forms of WNV infection were recorded in different areas of Greece, Italy, Romania, Hungary and Serbia. During the period from 2013 to 2016, 114 samples of cerebrospinal fluid and 107 serum samples were taken from 114 patients suspected of WNV neuroinvasive disease (WNND). The presence of specific anti-WNV IgM and IgG antibodies in cerebrospinal fluid (CSF) and sera samples were tested by WNV IgM and IgG ELISA (Euroimmun, Germany). In addition, 48 samples of CSF or/and serum of people with suspected WNV infection were examined by commercial molecular tests - real time RT-PCR (WNV Real-TM, Sacace biotechnologies, Italy). The IgM antibodies against WNV were present in 25.4% (29/114) of CSF samples, and in 31.8% (34/107) of serum samples tested from 114 patients suspected of WNND. The IgG antibodies against WNV were detected in 3.5% (4/114) of CSF samples, and in 11.2% (12/107) of serum samples. The WNV RNA was detected by real time RT-PCR test in 7 out of 48 (14.6%) CSF or/and serum samples. In this study, detection of IgM antibodies in CSF is more frequent than detection of WNV RNA in CSF or serum samples. WNV RNA detection in CSF is confirmatory diagnostic test but has limited utility in the diagnosis of WNV neuroinvasive disease due to low viremia level at the time of clinical presentation of the disease. The limitations in the use of ELISA IgM test are linked to cross - reactivity among flaviviruses and long persistence of IgM antibodies in the serum and CSF.
Nutrient status of potato grown on fine sandy loams in Prince Edward Island

Abstract Potato (Solanum tuberosum L.) leaf tissue and corresponding soil samples were taken from 64 fields in 1988 on Prince Edward Island (P.E.I.) to characterize their nutrient status. The pH of the soil samples ranged from 4.4 ‐6.3 with a mean of 5.2. The phosphorus (P), potassium (K), magnesium (Mg), copper (Cu), zinc (Zn), boron (B), and iron (Fe) in leaves and soils were present in adequate quantities for normal potato production. Plant sulfur (S) was considerably lower in this survey than levels obtained in 1979. Leaf tissue manganese (Mn) concentrations ranged to toxic levels and were negatively correlated with soil pH. A number of leaf tissue samples tested deficient in S and low in Ca. Potato and possibly other crops may benefit from S fertilization on P.E. I.
Gas-sensing properties of sputtered thin films of tungsten oxide

Electrical, structural and morphological properties of thin films of deposited by the reactive RF sputtering method have been analysed. The fundamental electrical features of have been determined by Hall-effect measurements. Information about the structure and morphology of these films was obtained by transmission electron microscopy techniques. The investigations of electrical properties in a controlled atmosphere at various operating temperatures revealed that is particularly suitable for NO gas detection. In particular, the relative variation of the resistance of was found to be reversible and to follow a power-law relationship. The dependence of the electrical properties on the structure and morphology has also been discussed.
Preparation of the modified epoxy resins with flexible diglycidyl ether of diethylene glycol

Lot of efforts have been devoted to improve the toughness and ductility of diglycidyl ether of bisphenol-A (DGEBA) epoxy resin (EP), which limit its wide applications in many industry fields. In this study, reactive modifier diglycidyl ether of diethylene glycol (DGEG) with low viscosity has been synthesized and introduced to the EP by solvent-free processing. The mechanical properties of the modified EPs are studied via the tensile and impact test. The results show that the incorporation of flexible DGEG chains into EPs improves the elongation and impact strength. Interestingly, the tensile strength can be improved by a reasonable content of flexible DGEG. It is concluded that the addition of a selected amount of DGEG, namely 14–28 wt%, can simultaneously strengthen and toughen DGEBA EPs. The subsequent impact-fractured surfaces are observed using scanning electron microscopy, and the results are well consistent with those obtained from the impact test. Thermogravimetric analysis shows that the thermal stability slightly decreases with the increase of DGEG. Finally, the differential scanning calorimetry shows that the glass transition temperature (T g) decreases slightly with increasing the flexible DGEG content. The presence of a single T g reveals that the DGEG/epoxy composite has a homogeneous phase structure.
Novel Types of Polyesters Containing Second-Order Nonlinear Optically Active Chromophores with High Density

This article describes the syntheses and second-order nonlinear optical (NLO) properties of novel types of polyesters containing second-order NLO active chromophores with high density, which were obtained by condensation polymerization using two comonomers with the N,N-dialkyl-4-nitroaniline or N,N-dialkyl-4-((4-cyanophenyl)azo)aniline moiety. The polyesters were synthesized by condensation polymerization between isophthalic acid derivatives and N-substituted diethanolamines using tri- phenylphosphine and diethyl azodicarboxylate as the condensation reagents in dimethyl sulfoxide (DMSO) or 1-methyl-2-pyrrolidinone (NMP). The obtained amorphous polyesters exhibited good solubility in common organic solvents and provided optical-quality films by spin-coating. The SHG measurements of the spin-coated films of the resulting polyesters were carried out by the Maker fringe method using a Q-switched Nd:YAG laser (1064 nm) as an exciting beam after corona-poling. One of the polyesters, which was prepared from 5-(2-(N-methyl-4-nitroanilino)ethoxy)isophthalic acid and N-(4-((4-cyanophenyl)- azo)phenyl)diethanolamine, exhibited the large second-order NLO coefficient, d33, of 202 pm/V. On the other hand, a polyester containing chromophore moieties with the highest density, which was prepared from 5-{(1,3-bis(4-((4-cyanophenyl)azo)-N-methylanilino)-2-propyl)oxy}isophthalic acid and N-(4-((4- cyanophenyl)azo)phenyl)diethanolamine, exhibited good temporal stability of the second-order nonlinearity at ambient temperature.
TELLURIUM ISOTOPE FRACTIONATION STUDY.

"Normal vibration equations" have been solved to yield vibrational frequencies for isotopic compounds of tellurium. These frequencies were used to evaluate "partition function ratios" for 122Te- and 130Te-containing compounds. Theoretical "isotopic equilibrium exchange constants" and estimates of "kinetic isotope effects" were derived from these ratios. The results suggest that the 122Te/130Te abundance may be altered significantly in laboratory reactions and terrestrial processes.Preliminary experiments have realized kinetic isotope effects of 0.7 and 0.6% in inorganic and microbiological reductions respectively of tellurite to elemental tellurium. These results are interpreted in terms of the isotope effect in Te—O bond breakage.The maximum variation in the 130Te/122Te abundance ratio of six natural tellurides and two commercial preparations of TeO32− was found to be 0.4%. The results are compared with those found in analogous selenium and sulfur isotope investigations.
Distribution and Sorption of Phosphate in a Savanna Soil Under Improved Pastures in Northern Nigeria

Abstract Land use patterns affect soil nutrient transformation and availability. The study determined the distribution of phosphorus (P) fractions and sorption in five pasture fields composed of Andropogon gayanus, Brachiaria decumbens, Chloris gayana, Digitaria smutsii, and Stylosanthes guianensis. The objectives were to characterize P fractions in improved pastures and to determine the effect of forage species on soil P lability. Total P (Pt) across the pastures was not significantly different. Organic P (Po) accounted, on the average, for 64% of Pt. Resin‐P, considered the plant‐available P, ranged from 4 to 10 mg kg−1, suggesting acute P deficiency in the pastures. The sum of P fractions extracted by 0.5 M NaHCO3, 0.1 M NaOH, and 1.0 M HCl, together with the resin‐P, accounted for less than 35% of Pt. Factor analysis indicated that plant‐available P approximated by resin‐P was furnished by ‒HCO3‐Po mineralization and HCl‐P. The highest concentrations of ‒HCO3‐Po and ‒OH‐Po were maintained by Brachiaria decumbens. Grouping Pi and Po fractions into labile and nonlabile fraction showed that Brachiaria decumbens maintained the greatest concentration of labile P as a proportion of its Pt. The pasture soils sorbed between 31 and 65% of added P from a standard concentration of 50 mmol kg−1. Phosphorus sorbed by soils from the pasture fields was in the order: Digitaria smutsii=Stylosanthes guianensis>Brachiaria decumbens=Chloris gayana>Andropogon gayanus, whereas resin recovery of sorbed P was greater in Brachiaria decumbens than other pastures. Between 82 and 92% of sorbed P was bound irreversibly. It was concluded that the relatively high concentration of labile P maintained by soil under Brachiaria decumbens was probably related to its capacity to sequester more carbon than the other pastures.
Simultaneous oxidation of nitrogen oxides and sulfur dioxide with ozone and hydrogen peroxide

The use of ozone and hydrogen peroxide for the simultaneous oxidation of nitrogen and sulfur oxides was studied in experiments carried out in a stirred cell. It was found that in a gas mixture, containing both nitrogen and sulfur oxides, only the nitrogen oxides are oxidized by ozone. Contrary to earlier results, sulfur dioxide does not disturb the oxidation of nitrogen oxides under dry conditions. The consumption of ozone in the oxidation of nitric oxide was slightly below the stoichiometric level because the ozone was introduced into the reactor in the oxygen flow. When the molar ratio between ozone and nitric oxide was more than 0.4, some of the nitric oxide was oxidized to higher oxides of nitrogen, the final product being a solid mixture of N2O5 and (NO)2S2O7. Some nitrosyl sulfuric acid was formed in the aqueous solution of hydrogen peroxide in addition to sulfuric acid under wet conditions. Some white solid was found on the walls of the reactor. This solid is said it the literature to consist of H2SO4, HNOSO4 and (NO)2S2O7.
Effect of Mg codoping on Eu3+ luminescence in GaN grown by ammonia molecular beam epitaxy

The effect of Mg codoping on the Eu3+ luminescence in GaN was investigated by photoluminescence measurements. Two notable emission peaks associated with the 5D0→7F2 transition in the Eu3+ ions were governed by Mg codopants, which corresponded to the change of the dominant peak wavelength from 622.3 to 620.3 nm with an increase in Mg concentration. An optimal amount of Mg also led to enhancement of approximately 20 times of the Eu3+ luminescence. These results indicated that the Mg codopants selectively activated the optical site of 620.3 nm emission due to the elimination of nonradiative deexcitation paths from the 5D0 state.
Description des noyaux faiblement liés par le modèle en couches avec couplage au continuum

Les resultats experimentaux recents concernant les noyaux aux limites de la stabilite ont motive la recherche de nouveaux modeles nucleaires. Pour cela, on a developpe le modele en couches avec couplage au continuum, qui permet de prendre en compte a la fois les correlations entre nucleons et l'influence du continuum. Ce modele a ete utilise dans ce travail pour l'etude des spectres des noyaux 17 F et 17 O. Aussi, on peut calculer des sections efficaces de capture radiative et de diffusion elastique, qu'on a applique aux reactions 16 O (p,p) 16 O et 16 O (p,gamma) 17 F. Cette derniere reaction a un interet astrophysique car elle joue un role important dans la formation des elements legers dans les etoiles. On a de plus calcule les transitions beta premieres interdites des reactions 17 Ne -> 17 F et 17 N -> 17 O. Le formalisme etudie permet en effet de considerer avec le meme hamiltonien les differentes observables de structure et de reaction. Aussi, et c'est une premiere, on a introduit un nouveau modele susceptible de donner de nouvelles informations sur les noyaux peu lies ou resonnants, le modele en couches avec etats de Gamow. Ce modele est une generalisation du modele en couche standard, car sa base est constituee d'etats lies, resonnants et de diffusion. De plus, l'emission de plusieurs particules correles peut se faire, contrai- rement au modele en couches avec couplage au continuum. On a etudie avec ce modele les spectres des noyaux issus des chaines d'isotopes d'oxygene de 17 O a 22 O et d'helium de 5 He a 9 He, ou le continuum a un role respectivement non negligeable et crucial. Aussi, on a considere les transitions electromagnetiques et les densites de particules de valence de ces isotopes pour ces memes chaines. On a pu montrer que ce modele est utilisable d'un point de vue pratique, ce qui est interessant car il possede la generalite du modele en couches et n'a aucune restriction du nombre de particules dans le continuum.
Chemical Probe for Glycosidic Conformation in Telomeric DNAs

Chemical modifications are powerful tools to probe nucleic acid structure and protein-nucleic acid interactions. Nucleic acids can be modified either randomly by a variety of chemical reagents or site-specifically with synthetic base analog substitutions. We report here the use of 8-bromodeoxyguanosine (8-Br-dG) as a modification that is directly sensitive to a dihedral angle. 8-Br-dG should prove useful as a chemical probe for the conformation about glycosidic bonds in unusual nucleic acid structures.
The uncertainty in the grain size calculation from X-ray diffraction data

The phase transition, usually called size-induced phase transition (SIPT), occurs at a threshold crystal diameter – critical grain size. The first published database and classification of such phase transitions [P.E. Tomaszewski, Phase transitions in extremely small crystals, Ferroelectrics 375 (2008), pp. 74–91] listed the set of critical values for known SIPT. Now it becomes clear that the published values have a limited scientific significance due to several factors influencing the calculated values of the critical diameter and grain size. Thus, a simple question arises – is the accurate grain size evaluation possible? The answer is NO. Unfortunately, none of the known methods give the correct value for the crystallite size of nanocrystals! It is only possible to talk about the range of values. Finally, it should be emphasized that all published values for the threshold crystal size of SIPT are not correct! The way to partially solve this serious problem is to provide the detailed description of definitions, methods, etc.