Miracle-dz/UniFAR-FTUs huggingface dataset:
Thioindigo-containing organosiloxane liquid crystals with electroclinic properties

Two mesogenic thioindigo derivatives containing oligomeric di- and trisiloxane end-groups were synthesized in optically pure form. These materials form enantiotropic SmA* liquid crystal phases over temperature ranges of 120–143°C and 110–146°C, respectively, and exhibit electroclinic switching. The electroclinic coefficient for the trisiloxane derivative at T − TC = 8 K is 0.4° V−1 µm−1. The formation of a SmA* phase by these thioindigo derivatives is due primarily to the tendency of siloxane and paraffinic moieties to micro-segregate into distinct sublayers within a lamellar structure. To the best of our knowledge, these are the first two examples of thioindigo-containing liquid crystals to be reported in the literature.
Hydrothermal processing of rice husks: effects of severity on product distribution

BACKGROUND: Treatment in aqueous media (hydrothermal or autohydrolysis reactions) is an environmentally friendly technology for fractionating lignocellulosic materials. Rice husks were subjected to hydrothermal processing under a variety of operational conditions to cause the selective breakdown of xylan chains, in order to assess the effects of reaction severity on the distribution of reaction products. RESULTS: The effects of severity (measured by the severity factor, R0) on the concentrations of the major autohydrolysis products (monosaccharides, xylo- and glucooligosaccharides, xylooligosaccharide substituents, acetic acid, acid-soluble lignin and elemental nitrogen) were assessed. The interrelationship between the severity of treatment and molecular weight distribution was established by high-performance size-exclusion chromatography. Selected samples were subjected to refining treatments as ethyl acetate extraction and ion exchange for refining purposes, and the concentrates were assayed by high-performance anion-exchange chromatography and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. CONCLUSIONS The protein equivalent of the products present in liquors accounted for 43 to 51% of the protein present in the raw rice husks. The concentrations of glucose (derived from starchy material) and arabinose (split from the xylan backbone) were fairly constant with severity. Even in treatments at low severity, high molecular weight compounds derived from xylan accounted for a limited part of the stoichiometric amount. Operating under harsh conditions, about 50% of the total xylan-derived compounds corresponded to fractions with a degree of polymerization (DP) <9. After refining, saccharides accounted for more than 90% of the non-volatile components of the sample. The refined products showed a series of xylose oligomers up to about DP 13, and a series of acetylated xylose oligomers up to about DP 15.
T1ρ relaxation and its application to MR histology

The application of T1P as an alternative contrast parameter in high‐field magnetic resonance histology (MRH) has been investigated. Spectroscopic measurements of T1P were performed on 5.75% agar and 1.0 mM MnCl2 phantoms at 9.4 T to validate the accuracy of the imaging measurements. Image studies were performed at 2.0 and 9.4 T on perfusion‐fixed 17.5‐day‐old mouse embryos. T1′ T2′ and T1P relaxation times were calculated for the phantoms and muscle, diencephalon, and liver tissues. The 5.75% agar phantom and all tissues showed T1P dispersion with B1L, whereas the 1.0 mM MnCl2 phantom showed no significant B1L dependence. T1P dispersion with B0 was observed arising from the effects of diffusion through susceptibility‐induced gradients. T1P shows promise as a contrast parameter in high‐field MRH because it is capable of producing T2‐like contrast without the susceptibility artifacts associated with T2‐weighted images.
Surveillance and distribution of different weeds in transplanted rice as influenced by integrated plant nutrition system (IPNS) in rice-wheat cropping system in Hilly area

The present investigation was undertaken in a long-term experiment on IPNS in rice-wheat cropping system. Twelve treatments viz., control (no fertilizer/manure), 50, 75 and 100% NPK each to rice and wheat through fertilizers, 50% NPK to rice and 100% NPK to wheat through fertilizers, 50% substitution of N through FYM, wheat straw and green manure in rice and 100% NPK through fertilizers in wheat; 25% substitution of N through FYM, wheat straw and green manure in rice and 75% NPK through fertilizers in wheat; and farmers’ practice (40% NPK through fertilizers to each crop plus 5 t FYM/ha on dry weight basis to rice) were evaluated for a period of two years (2014 and 2015) with four replications. Ammannia baccifera was the most dominant weed constituting 40 and 35% of the total weed flora during kharif 2014 and 2015, respectively. This was followed by Monochoria vaginalis, Eleocharis sp. , Scirpus sp. , Echinochloa sp. and Cyperus difformis during 2014 and Monochoria vaginalis, Brassica sp. , Eleocharis sp. , Scirpus sp. , Cyperus difformis and Cynodon dactylon during 2015. On an average Ammannia baccifera was the most dominant and problematic weed found in rice.
Cadmium Accumulation in Vegetable Plantation Land Soils under Protected Cultivation: A Case Study

Cadmium (Cd) accumulation in vegetable plantation land soils under a greenhouse was investigated in Shouguang County, Shandong Province, China. A total of 128 soil samples were collected from different agricultural fields. Soil samples were digested with the mixture of hydrogen peroxide (H2O2) and nitric acid (HNO3), and Cd content in the digested solution was detected with inductively coupled plasma–mass spectrometry (ICP‐MS). The results indicated that the concentration of Cd in the greenhouse vegetable field was significantly more than that in open vegetable field, cotton field, wheat/maize field, and uncultivated soils. Cadmium concentration increased with the cultivation age, and the related accumulation rate was 0.0289 mg Cd kg−1y−1 in a greenhouse vegetable field. Organic fertilizer such as livestock manure was the major source for Cd accumulation in the greenhouse vegetable field with the average input amount of 70.7 g Cd ha−1 y−1 from organic manure. Thus, a decrease of Cd input from organic fertilizer into greenhouse soils is necessary.
Modeling and Comparison of Different Simulations for Release of Amoxicillin from Chitosan Hydrogels

In this research work, different devices made of glutaraldehyde cross-linked chitosan hydrogels loaded by amoxicillin, have been prepared using freeze-drying method. Effects of system parameters such as cross-linker concentration, pH, and gel structure on the morphology and release behavior of devices have been investigated using standard methods. Morphological studies were performed using SEM instrument and controlled releases are followed via spectrophotometeric method. Reaction of glutaraldehyde with chitosan has been studied using FTIR instrument. SEM micrographs have shown that with increasing cross-linker percentage in hydrogel, pore sizes increased where pore size distribution decreased. Considering that biocompatibility and drug release rate of the device can be affected by presence of cross-linker, effects of cross-linker concentration on drug release rate and biocompatibility of the device have been investigated and its appropriate concentration have been determined. Experimental release data were analyzed using Higuchi model originally developed for porous devices and swellable polymer model presented for porous swellable systems. Comparison of experimental results and model predictions shows that the Higuchi's model would be valid for systems with molar ratio (cross-linker-chitosan amine groups) less than 0.18, whereas the swellable polymer model could better predict behavior of systems with molar ratio more than 0.18.
Quality Curves for Highbush Blueberries as a Function of the Storage Temperature

SUMMARY Blueberries Vaccinium corymbosum cv. Patriot were harvested twice at the full ripe stage and held for 14 d at 0, 5, 10, 15, or 20°C. The objectives of this work were to (1) obtain quality curves for blueberries stored at different temperatures; (2) identify, for each temperature, which quality factor(s) limits blueberry marketability; and (3) compare the quality curves and shelf-life of blueberries based on quality evaluations with those predicted by respiration rates reported in the literature. Blueberry weight loss, instrumental color (L*a*b*), visual color, firmness, shriveling, decay, taste, and aroma were evaluated every 2 d for a 14-day storage period. Development of an unpleasant taste and aroma were the primary limiting factors for blueberries stored at 0 and 5°C. Darkening of the color and development of unpleasant aroma were the primary limiting factors for berries stored at 10 or 15°C, and darkening of the color was the primary limiting factor for those fruit stored at 20°C. Overall, fruit stored at 0 or 5°C had shorter shelf life compared with predicted values based on the Q10 for respiration, while those stored at higher temperatures had longer shelf life. Prediction of blueberry shelf life calculated from data reported in the literature is not precise unless the characteristics of the fruit and environmental factors involved are well known. The quality curves obtained from quality evaluations for each temperature showed that a single quality attribute cannot be used to express loss of quality of blueberries over the normal physiological range of temperatures.
Adsorption and electrokinetic properties of polyethylenimine on silica surfaces

The adsorption on silica wafers of a hyperbranched, high molecular weight polyethylenimine (PEI) was investigated using reflectometry. The pH and ionic strength dependence of PEI adsorption kinetics and that of the adsorbed amount were interpreted according to the complex balance of segment/segment and segment/surface site interactions. The observed adsorption properties show significant deviations from the recently studied features of polyvinylamine adsorption on cellulose coated silicas. The different behavior can be attributed to the pronounced difference in the nonelectrostatic affinity of polyamines toward the two different types of surfaces. The role of electrostatic interactions was also characterized by electrokinetic measurements. Due to the adsorption of PEI, significant charge reversal and shift in the isoelectric point of silica wafers occur. The ζ potential−pH curves show a maximum, which can be interpreted qualitatively by the adsorption characteristics of PEI. An attempt was also made to in.
Crystal structure of aqua-((E)-N-(2-(2-hydroxybenzylideneamino)ethyl)- 4-methylbenzenesulfonamide)-copper(II), Cu(H2O)(C16H17N2O3S)

C16H18CuN2O4S, triclinic, P1 (no. 2), a = 7.4366(5) Å, b = 7.5339(4) Å, c = 16.617(1) Å, = 84.597(1)°, = 79.284(1)°, = 62.564(3)°, V = 811.8 Å, Z = 2, Rgt(F) = 0.034, wRref(F) = 0.095, T = 296 K. Source of material The sulfonamide Schiff base ligand (E)-N-(2-(2-hydroxybenzylideneamino)ethyl)-4-methylbenzenesulfonamide (L) was synthesized by reacting tosyl-ethylenediamine with one equivalent of salicylaldehyde in ethanol. It is formed as yellow crystals (m.p. 126-127 °C). To 20 mL hot ethanol solution containing 0.214 g (1mmol)L, 0.199 gCu(CH3COO)2 · H2O (1mmol) in 10mL ethanol was added under stirring for 1 h. A dark green solution was formed and filtrated. The filtrate was left for slow evaporation. Dark green block-shaped crystals of the title compound were obtained after 2 weeks. Experimental details The H atoms were located in difference maps. While the water H atom positions were refined, the other H atoms were fixed in idealized positions and refined as riding withUiso(H) = 1.2Ueq or 1.5Ueq. Discussion In the title crystal structure copper(II) atom is chelated by one unsymmetrical Schiff base ligand providing their amide, amine N atoms and phenolate O atom and one water molecule (figure, top). A distorted square planar CuN2O2 environment arises with the N1···N2 and O1···O4 distances (2.605 Å and 2.662 Å, respectively) shorter than the N1···O1 and N2···O4 distances (2.801 Å and 2.902 Å, respectively). The Cu1N1 distance (1.923 Å) is shorter than Cu1N2 (1.969 Å) suggesting that the imine nitrogen atom is a slightly better donor than amide nitrogen atom because the electron density is delocalized into the sulfonyl group. The Cu1O4(water) distance is longer than Cu1O1(phenolate). The four coordinated atoms (N2O2) are arranged in a cisconformation. In the molecule, the chelated five-membered ring (Cu1-N1-C8-C9-N2) and six-membered ring (Cu1-O1-C2-C1C7-N1) also contribute to the stability of the complex. The bondvalence sum for the Cu center is calculated to be 2.2, which is close to the expected value of 2 [1]. A strong intramolecular OH···O hydrogen bond helps to stabilize the molecular conformation (O4H4B···O2 with 0.66(7) Å, 2.02(7) Å, 2.603(3) Å, 149(8)°). The resulting six-membered chelate ring (Cu1-N2-S1-O2···H4B-O4) is planarwith amean deviation of 0.0830 Å. The crystal packingmay be further stabilized by CH···O, CH··· and ··· interactions (figure, middle). The resulting C12H12···O3 hydrogen bonds among different symmetric motifs link the structure in layers running parallel to the a axis and shows a centrosymmetric arrangement mode. In the structure, there are the two ··· interactions formed between two rings of one molecule and its symmetry equivalent by inversion (x,y,z). TheCg···Cg distance is 3. 515Å,whereCg andCg are the centroids of ring 1 (Cu1-O1-C2-C1-C7-N1) and ring 2 (C10 Z. Kristallogr. NCS 222 (2007) 53-54 / DOI 10.1524/ncrs.2007. 0019 53 © by Oldenbourg Wissenschaftsverlag, München
VALIDATED STABILITY INDICATING RP-HPLC METHOD FOR THE ESTIMATION OF LINEZOLID IN A PHARMACEUTICAL DOSAGE FORM

A rapid high performance liquid chromatographic method was developed and validated for the determination and stability evaluation of linezolid in pharmaceutical dosage forms. Separation of linezolid was successfully achieved on a C-18 column utilizing water: methanol (50:50 v/v) at a flow rate of 1 mL/min and eluate was monitored at 254 nm, with a retention time of 5.117 minute. The method was validated and the response was found to be linear in the drug concentration range of 0.001 mg/mL to 3.4 mg/mL. The mean values ± RSD of the slope and the correlation coefficient were found to be 51169 ± 0.290 and 0.9999, respectively. The RSD values for intra- and inter-day precision were found to be 0.782 (<1.00%) and 0.610 (<0.90%), respectively. The forced degradation kinetic study of linezolid by using HCl (0.5 N), NaOH (0.02 M), H2O2 (6%v/v), thermal (80 ± 2°C), and UV radiation (365 nm) were observed to be very specific.
Role of quinones in the biodegradation of priority pollutants: a review

Evidence is accumulating that inert humic substances can play important roles in the anaerobic degradation of priority pollutants by shuttling electrons. This paper reviews the roles of humus and quinone analogues as electron acceptors, redox mediators and electron donors for microbial and abiotic degradation processes. An eventual technology based on pumping quinones as terminal electron acceptors into aquifers and sediments to stimulate xenobiotic degradation offers promising potential. Also quinone redox mediators can be considered to accelerate reductive transformations (e.g. dechlorination, azo cleavage) of priority pollutants.
Three-Dimensionally Ordered Hierarchically Porous Tin Dioxide Inverse Opals and Immobilization of Palladium Nanoparticles for Catalytic Applications

A high surface area 3D ordered SnO2 inverted opal with walls composed of interconnected nanocrystals is reported using a facile approach with tin acetate precursors. The hierarchically porous structure exhibits porosity on multiple lengths scales (cm down to nm). The thickness of the IO wall structure comprising nanocrystals of the oxide can be tuned by multiple infilling of the precursor. Using highly monodisperse Pd nanoparticles, we show how the SnO2 IO can be functionalized with immobilized Pd NP assemblies. We show that the Pd NP size dispersion is controlled by utilizing weak ligand–metal interactions and strong metal-oxide interactions for the immobilization step. The resulting SnO2–Pd IOs were investigated X-ray photoelectron spectroscopy indicating electronic interactions between the Pd and SnO2 and alterations to NP surface chemistry. Pd NPs assembled with excellent dispersion on the ordered SnO2 IOs show superior catalytic performance for liquid phase chemical synthesis via Suzuki coupling reac.
Intoxication au méprobamate : à propos de deux cas

Objectif : Dans un contexte de decouverte de cadavre dans deux situations distinctes et apres autopsie de ceux-ci, un depistage toxicologique a ete realise sur les prelevements effectues et disponibles afin de preciser, si possible, les causes de la mort. Methodes : L'ethanolemie a ete determinee par CPG/DIF. Le depistage des xenobiotiques organiques a ete pratique apres extraction liquide/liquide a pH acide et pH basique par CPG/SM et CLHP/DAD/SM. Les substances decelees ont, ensuite, ete dosees par CLHP/SM, apres extraction liquide/liquide appropriee et ajout d'etalon interne. Resultats : Dans les deux cas, de fortes concentrations sanguines en meprobamate ont ete determinees (78 et 120 g/mL) associees principalement a des benzodiazepines (et au zolpidem dans le second cas). Conclusion : La surdose de meprobamate est, en toute vraisemblance, a l'origine des deces. De plus, les effets toxiques de celui-ci ont, probablement, ete potentialises par les benzodiazepines, le zolpidem et l'ethanol presents selon les cas.
Distribution pattern of eight heavy metals in the outer and inner tissues of ten commonly used vegetables

This study reports the distribution of eight heavy metals (Cd, Co, Cr, Cu, Hg, Mn, Ni, and Pb) in the outer and inner tissues of ten different vegetables from the Qassim region of Saudi Arabia. The oven-dried (65°C, 48 h) vegetable samples were subjected to microwave acid digestion before heavy metals analysis using inductively coupled plasma optical emission spectrometry. The results showed that Co, Cd, and Pb were absent in the outer tissues of all the vegetables, whereas these elements were detected in the inner tissues of some vegetables in the ranges of 0.01–0.23 mg/kg wet weight, 0.03–0.42 mg/kg, and 0.02–3.44 mg/kg, respectively. The traces of Hg (1.83–3.59 μg/kg) were noticed in the outer tissues of all the samples; however, it was not detected in the inner tissues of vegetables. The variable distribution of heavy metals in different vegetables is influenced by several factors, including exposure route, physicochemical properties of heavy metals, species of crops, cultivation strategy, soil type, and growing conditions. In conclusion, although the representative samples of vegetables used in this study contained safe levels of Cd, Co, Ni, and Pb, higher than recommended upper limits of Cr, Cu, and Mn were observed in some vegetables. These findings suggested that regular monitoring of heavy metals in vegetables is important to safeguard consumers.
A Simple Measure of Electron Localization in Atomic and Molecular-Systems

We introduce in this work a new approach to the identification of localized electronic groups in atomic and molecular systems. Our approach is based on local behavior of the Hartree–Fock parallel‐spin pair probability and is completely independent of unitary orbital transformations. We derive a simple ‘‘electron localization function’’ (ELF) which easily reveals atomic shell structure and core, binding, and lone electron pairs in simple molecular systems as well.
Direct Determination of Ofloxacin Enantiomers in Human Urine by Ligand Exchange Chromatography

Abstract A sensitive and simple method for the determination of ofloxacin enantiomers in human urine was developed by ligand exchange high performance liquid chromatography. Chiral separation was performed on a C18 column, where the mobile phase consisted of a methanol‐water solution (containing1.2 mmol L−1 L‐phenylalanine and 1.0 mmol L−1 copper sulphate) (15∶85, v/v) and its flow rate was set at 1.0 mL min−1. After centrifugation, the human urine was injected into a C18 column directly. Baseline separation of ofloxacin enantiomers in human urine were obtained with a resolution of 3.24 in less than 25 min, and no interference by the protein or endogenous compounds were observed. The effects of different separation conditions were investigated and the concentration of ligand and pH of the mobile phase play a critical role in the enantioseparation. The standard curves showed excellent linearity over the concentration range from 0.8 to 400 µg mL−1 for ofloxacin enantiomers. The linear correlation equations are: Y=171.11X+ 504.13 (r=0.9995) and Y=169.01X+631.59 (r=0.9994) for (S)‐ofloxacin and (R)‐ofloxacin, respectively. The average recovery of ofloxacin enantiomers from human urine samples was more than 96%. The procedure developed was successfully applied to investigate the stereoselectivity and pharmacokinetics of ofloxacin enantiomers in the human body.
Morphology of Blends of Linear and Short-Chain Branched Polyethylenes in the Solid State by Small-Angle Neutron and X-ray Scattering, Differential Scanning Calorimetry, and Transmission Electron Microscopy

Differential scanning calorimetry (DSC), transmission electron microscopy (TEM), and small-angle neutron and X-ray scattering (SANS and SAXS, respectively) have been used to investigate the solid-state morphology of blends of linear (high-density) and model short-chain branched (linear-low-density) polyethylenes (HDPE/LLDPE). SANS indicates that the mixtures are homogeneous in the melt for all compositions when the ethyl branch content in the copolymer is low (i.e., <4 branches/100 backbone carbon atoms for a molecular weight of Mw ∼ 105). However, due to the structural and melting point differences between HDPE and LLDPE, the components may phase segregate in the solid state. The degree of separation is therefore controlled by the crystallization kinetics. DSC, TEM, SAXS, and SANS experiments have been used to investigate the solid-state morphology as a function of component composition, the thermal history, and the rate of cooling. It is shown that the combination of scattering, microscopy, and calorime.
Ecological principles of wet-process phosphoric acid technology†

Based upon fundamental results obtained for phosphate rock disso- lution and calcium sulphate crystallization, the behaviour of both substances inside industrial reactors of wet-process phosphoric acid (WPPA) production is described. This approach results in some new ideas for the ecological production of WPPA. The main feature requires separation of the phosphate rock disso- lution from the calcium sulphate crystallization stage. As a result, the optimal chemical, i.e. the acidity level for the dissolution and supersaturation value for crystallization, and hydrodynamic, i.e. high agitation intensity for the dissolution and slow agitation intensity for the crystallization, conditions could be provided. A brief technological scheme for ecologically clean WPPA production tech- nology is also proposed. 1998 SCI ( J. Chem. T echnol. Biotechnol. 71, 227E233 (1998)