Miracle-dz/UniFAR-FTUs huggingface dataset:
Effects of termonomers on crosslinking rate and crosslinking structure of ethylene propylene terpolymers

Study was made concerning both the rate of crosslinking and the structure of crosslinks of terpolymers that have dicyclopentadiene, 1, 4–hexadiene, methylene norbornene, and ethylidene norbornene for termonomers so as to look into the role of termonomers during crosslinking of ethylene propylene terpolymers. In the study, activation energy and frequency factor, both apparent were determined by the rate constant of crosslinking and differences in crosslinks were analyzed following both chemical and physical methods. Infrared analysis into the volume of consumption of double bond was adopted to examine the manner of crosslinking. In respect to the magnitude of the rate constant, ethylidene norbornene came in first being followed by 1,4-hexadiene, methylene norbornene, and dicyclopentadiene. The structure of termoners affected the apparent activation energy and the apparent frequency factor was subject to the influences of said structure and others including the variation in the degree of unsaturation. During the early stage of crosslinking, the formation of the crosslink of polysulfide-type was paramount to all others and the speed of conversion therefrom either to disulfide–type or to monosulfide varied with the kind of terpolymers and was in proportion to the rate constant of crosslinking.
An FTIR study of the complex melting behavior of α-lactalbumin

We have studied the thermal denaturation of holo α-lactalbumin (α-LA) using FTIR spectroscopy by monitoring the absorbance of protein bands in the secondary structure sensitive amide I region. In agreement with results obtained by other techniques, a major cooperative melting transition is observed between 60 and 80 °C. This main transition is found to involve predominantly the unfolding of helical structures. Addition of excess Ca2+ ions raises the Tm of the cooperative melting transition but does not change the protein substructures involved in the transition. In addition to the main transition, there are at least two other distinct melting processes. One of them is gradual, is independent of excess Ca2+, and occurs throughout the measured temperature range below the major cooperative transition. This melting process involves denaturation of α-LA's β-hairpin. The other melting process is affected by the addition of excess Ca2+ and involves the denaturation of helical structures. In the absence of excess.
Pillared Clays as Catalysts

Abstract Clays have long been used as catalysts [1] and they retain a continuing important role since they constitute the matrix of many industrial catalysts based on zeolites. Intercalated clays are a new class of materials, in which an homogeneous distribution of micropores can be obtained with pore openings varying from 4 A to 18 A according to the type of pillars. These solids are then attractive because they can adsorb and convert large molecules.
La3+ and Y3+ interactions with the carboxylic acid moiety at the liquid/vapor interface: Identification of binding complexes, charge reversal, and detection limits.

Specific interactions of yttrium and lanthanum ions with a fatty acid Langmuir monolayer were investigated using vibrational sum frequency spectroscopy. The trivalent ions were shown to interact with the charged form of the carboxylic acid group from nanomolar concentrations (<300 nM). Analysis of the spectral features from both the symmetric and the asymmetric carboxylate modes reveals the presence of at least three distinct coordination structures linked to specific binding configurations. Although the same species were identified for both La3+ and Y3+, they display a different concentration dependence, highlighting the ion-specificity of the interaction. From the analysis of the response of interfacial water molecules, the reversal of the surface charge, as well as the formation of yttrium hydroxide complexes, were detected upon increasing the amount of salt in solution. The binding interaction and kinetics of absorption are sensitive to the solution pH, showing a distinct ion speciation in the interfacial region when compared to the bulk. Changing the subphase pH or adding a monovalent background electrolyte that promotes deprotonation of the carboxylic acid headgroup could further improve the detection limit of La3+ and Y3+ to concentrations < 100 nM. These findings demonstrate that nM concentrations of trace metals contaminants, typically found on monovalent salts, can significantly influence the binding structure and kinetics in Langmuir monolayers.
Sorption of Volatile Organic Chemicals in Plant Surfaces

Sorption in the cuticles covering most of the above-ground surface of plants is the first step of the atmosphere-to-vegetation transfer of volatile organic compounds (VOCs). The partitioning of 50 reference VOCs of varying physical-chemical properties between the vapor and the cuticular matrix (MX, obtained by dewaxing isolated cuticles) or aqueous phase, respectively, was studied at 25 °C using static headspace gas chromatography. Linear sorption isotherms were obtained over a wide range of concentrations, indicating that Henry's law applies. Concentration-independent cuticular polymer matrix (MX)/air (KMXa), air/water (Kaw), and MX/water (KMXw) partition coefficients were derived from the slopes of the sorption isotherms. The experimentally determined values of KMXa ranged from 39 (isoprene) to 33 000 (1-hexanol). KMXas were linearly related to the corresponding partition coefficients for the native cuticular membrane. The values of Kaw of the reference compounds varied from 1.94 × 10-4 (methanol) to 1.
The nature of the silica cage as reflected by spectral changes and enhanced photostability of trapped Rhodamine 6G

Rhodamine 6G was embedded in a matrix of silica gel glass by the sol to gel technique. The special features of an inorganic oxide glass as a carrier of an organic dye are discussed in comparison with other solid environments, such as adsorption on powders and within porous glasses, thin films, and doping of plastic matrices. Among the advantages mentioned are photostability of the glass matrix, trapping of the dye molecule, and its total isolation from undesired interactions with its neighboring dye molecules, impurities, and photodecomposition products; nonleachability of the dye; the ability to reach stable very high dye concentrations; reduction of translational, rotational, and vibrational degrees of freedom of the trapped dye; good transparency down to the UV. Embedding R6G in the silica glass enables one to reach high concentrations without undesirable dye aggregation. Stokes shift is larger in the glass than in water. Photostability of the dye is higher in the glass than in water. A remarkable front-face fluorescence stability is observed. These observations, and a critical review of the literature, are used to elucidate the nature of the silica glass cage: it is suggested that it is a hydroxylic polar environment, though somewhat less polar than water. The rigidity of the cage is discussed in terms of required reorientation of the environment around an excited state.
Levels and Origin of PAHs in Some Big Lakes

This study was designed to assess the contamination of a very special lake, Lake Baikal in Siberia, and two big lakes, Ladoga and Onega in the European part of Russia, by polycyclic aromatic hydrocarbons (PAHs). PAH compounds were analyzed by HPLC and the target PAH, benzo[ a ]pyrene (B a P), by using the spectral-luminescence (Shpol'skii) method. Elevated levels (to 96 w g kg m 1 ) of B a P in sediments of Lake Baikal reflected proximity to potential sources of emission, situated either on shore (a paper and pulp mill in Baikalsk) or upstream river systems. The concentration of B a P in sediments decreased with the distance from outlet and the depth. The sediment samples contained several representatives of PAHs. The total content of identified compounds reached 873 w g kg m 1 (less than four nuclear representatives not included). Dominating heavy PAHs were dibenz[ a,j ]anthracene, dibenz[ a,h ]anthracene, dibenzo[ a,e ]pyrene, and dibenzo[ a,l ]pyrene. The concentration of B a P in sediments of northeastern Baikal was more than two times less than that for the southern part of the lake and corresponds to the background level. The B a P levels estimated for sediments close to paper and pulp mills of the Lake Ladoga exceeded 160 w g kg m 1 , being two orders of magnitude higher than that for other areas of these lakes. The contamination of sediments of Lake Onega by PAHs is affected by pulp and paper mills as well as other sources. Our results clearly demonstrate the contribution of specific industrial sources like paper and pulp mills to the content of PAHs in the Baikal, Ladoga, and Onega water ecosystem.
Mixed Fertilizer can Improve Fruit Yield and Quality of Field-Grown Tomatoes Irrigated with Saline Water

Growing tomatoes using saline water and in soils with poor nutrient contents is challenging. The objectives of this work were to: (i) examine the yield and quality of tomatoes (Lycopersicon esculentum L.) irrigated with different saline water [electrical conductivity (ECi) = 3, 6 and 9 dS m−1]; and (ii) study the effect of fertilizer: inorganic, organic, and a mixed of both on tomatoes grown under saline conditions. Fruit weight and quality attributes including size, color, soluble solids, acidity, EC, and pH were measured. Growing tomatoes under 3 and 6 dS m−1 produced the highest yield, whereas irrigating with 9 dS m−1 reduced yield. The mixed fertilizer slightly ameliorated the yield reduction caused by salinity. Using organic fertilizer alone produced the lowest fruit yield. Fruit quality was more affected by salinity than fertilizer. The best growing conditions for tomatoes were in plots irrigated with 6 dS m−1 water under mixed fertilizer treatment.
X-ray and neutron diffraction and molecular dynamics simulation of molten lithium and rubidium nitrates

Molecular dynamics simulations have been performed for lithium and rubidium nitrate melts at 550 and 600 K, respectively, together with X-ray and neutron diffraction experiments. Simple Coulomb pair potentials with Born-type repulsions have been adopted in the simulations with a rigid body model for the nitrate ion. Structure functions derived from the X-ray and neutron experiments are well reproduced by the simulations, from which the three-dimensional cation distribution around the nitrate ion has been revealed. The self-diffusion coefficients, the velocity autocorrelation functions and the self-exchange velocities of lithium, rubidium and nitrate ions have been calculated. Anisotropic motion of nitrate ions has been found and is discussed on the basis of the structure of the melts.
A study on comparison of retro-muscular pre-fascial placement of mesh versus other methods of mesh repair of ventral hernias

Introduction: Ventral hernias repair are most routinely performed procedure in daily life of general surgeons. The objective of the present study is to compare the outcome of retro-muscular repair over other methods of ventral hernia repair. Methodology: 90 diagnosed cases of ventral hernias were randomly split into two groups A (retro-muscular meshplasty) and B (onlay, inlay & underlay meshplasty). The comparison across groups was carried out in terms of operation length, postoperative pain, wound complications, length of hospital stay & recurrence. Results: No difference was found between the groups regarding age, gender, type and classification of hernia. Operation length was 110 min in retro-muscular repair and 90min in onlay and 114 min underlay method. Statistically difference was seen between these groups. Among complications recurrence, seroma, mesh infection and wound complications were seen in group B. Postoperative pain and well being score were better in retro-muscular group. Conclusions: Retro-muscular meshplasty have more advantage compare to other open methods in ventral hernia repair. Retro-muscular meshplasty is still most appropriate method in open ventral hernia repair
IRON AND COBALT ETHYLENE POLYMERIZATION CATALYSTS BEARING 2,6-BIS(IMINO)PYRIDYL LIGANDS : SYNTHESIS, STRUCTURES, AND POLYMERIZATION STUDIES

The synthesis, characterization, and ethylene polymerization behavior of a series of iron and cobalt halide complexes, LMXn (M = Fe, X = Cl, n = 2, 3, X = Br, n = 2; M = Co, X = Cl, n = 2), bearing chelating 2,6-bis(imino)pyridyl ligands L [L = 2,6-(ArNCR1)2C5H3N] is reported. X-ray diffraction studies show the geometry at the metal centers to be either distorted square pyramidal or distorted trigonal bipyramidal. Treatment of the complexes LMXn with methylaluminoxane (MAO) leads to highly active ethylene polymerization catalysts converting ethylene to highly linear polyethylene (PE). LFeX2 precatalysts with ketimine ligands (R1 = Me) are approximately an order of magnitude more active than precatalysts with aldimine ligands (R1 = H). Catalyst productivities in the range 3750−20600 g/mmol·h·bar are observed for Fe-based ketimine catalysts, while Co ketimine systems display activities of 450−1740 g/mmol·h·bar. Molecular weights (Mw) of the polymers produced are in the range 14000−611000. Changing reaction .
Heat transfer from a rotating disk

The flow due to a disk rotating in its own plane has been investigated theoretically by von Kármán, Goldstein, and others, but little has been published on the heat transfer. For laminar conditions theoretical solutions have been given by Millsaps & Pohlhausen and by Wagner, but for conditions when the flow is turbulent over the outer part of the disk there is no previous information. The present paper describes an experimental investigation of the heat transfer for a range of conditions from entirely laminar flow to conditions when the outer 80% of the disk area is under turbulence. For laminar flow the heat transfer agrees with Wagner’s results, but Millsap’s theory is found to give too low values and an explanation is given. For the turbulent case, which occurs in most practical applications, values are given for the heat transfer which is found to approach the expression N = 0∙015 R0∙8 for all-turbulent flow. An attempt is made to deduce the turbulent flow heat transfer theoretically by assuming a 1/7 power law of temperature distribution, but this gives too low a value. Some measurements of the velocity and temperature profiles both for laminar and for turbulent conditions are given. For laminar flow these show fair agreement with the theoretical values. For turbulent flow the temperature ratios are higher than those of velocity, which explains the low heat transfer values calculated assuming a 1/7 power temperature distribution. The relation between heat transfer and friction torque is also discussed.
Design of Rapid Fixed‐Bed Adsorption Tests for Nonconstant Diffusivities

A rapid small‐scale column test (RSSCT) that uses a smaller adsorbent particle is used to simulate a five‐month pilot plant adsorption study in several days. The RSSCT is a small‐scale physical model of a full‐scale fixed‐bed such that it gives a performance identical to the full‐scale plant when the effluent profiles are plotted as the bed volumes are fed. A mathematical model that, includes axial dispersion, intraparticle pore and surface diffusion, and liquid‐phase mass transfer resistance is used to scale down the RSSCT from the pilot plant operation without extensive isotherm and kinetic data. This study presents evidence that the surface diffusivities are not necessarily constant with adsorbent particle radius and presents general scaling equations for use under these conditions.
Volatile Needle Terpenoids of Six Pinus Species

Abstract The terpenoid composition of the needle oils of syntopically grown Pinus armandi Franch, P. densiflora Sieb. & Zucc. , P. longaeva Bailey, P. mugo Turra, P. pumila (Pall.) Regel and P. sylvestris L. were analyzed by GC and GC/MS. Seventy-six compounds were identified in the oils. P. armandi was found to be rich in β-caryophyllene (36.3%) and γ-muurolene (40.7%). P. densiflora contained α-pinene (13.2%), β-phellandrene (11.6%) and germacrene D as major compounds. The predominant compounds in P. longaeva oil were α-pinene (17.1%), β-pinene (17.7%) and β-phellandrene (32.5%), the major component of P. mugo oil was α-pinene (33.3%) while P. pumila oil was rich in δ-3-carene (14.9%), β-phellandrene (10.7%) and terpinolene (37.7%). An unusual strain of P. sylvestris possessed an oil rich in caryophyllene oxide (12.7%) and manoyl oxide (30.2%) rather than the usual monoterpene hydrocarbons
A contribution to the study of the catalytic action of clays on the polymerization of styrene: I. Characterization of polystyrenes

Abstract Three clay samples (a kaolinite, a halloysite and an inseparable mixture of kaolinite-palygorskite-illite-montmorillonite) were, after a mild pretreatment, successfully tested as catalysts in the polymerization of styrene. The catalytic activity of the clay (measured by the conversion rate), the MW and the colour of the polystyrene obtained depended not only on the chemical composition and the structure of the clay catalyst but also on its concentration in the medium. The polystyrenes obtained on the clay catalyst were composed of two groups of macromolecules, one with low MW and the other with high MW.
International comparison on the determination of an ethanol aqueous solution by 1H nuclear magnetic resonance

定量核磁気共鳴（NMR）法は測定原理から国際単位系に結び付く測定法として注目されているが，この方法を利用し高精度な定量測定を行った報告は少ない．定量NMR法を利用して，国際度量衡委員会の物質量諮問委員会が主催した水溶液中のエタノールの定量に関する国際比較に参加した．結果は調製値からの偏差が0. 2％ と良好であった．NMRでのエタノール水溶液の定量においては，内標準物質として，3-トリメチルシリルプロピオン酸ナトリウム塩-d4を利用した．エタノールのメチルとメチレンピークでは，積分値の測定繰り返しのばらつきは大きく異なり，水ピークの影響がメチレンピークの積分安定性に影響していることが示唆された．定量NMRの繰り返し精度は，0.4％ 以下で，ひょう量など試料調製と同等水準の不確かさを持つことが分かった．分散分析の結果，今回利用した内標準物質は，この系で利用する場合，用時調製が適切であると考えられた．国際比較の結果から，NMRの定量性は，ガスクロマトグラフィーを利用した定量性と同等な結果が得られることが分かった．
Gender and Age Dimensions of Occupational Stress and Dissociative Features among IT Professionals

Looking at the various psychological illnesses that plague the common man with increasing frequency these days, experts in the field are beginning to rethink the classification of such disorders as purely based on pathological symptoms finding that they have non-pathological features/symptoms as well. Dissociation and its related aspects are known to be rooted inn onpathological factors and not just pathological factors. Dissociation is often described as experiencing mild detachment from an individual “surroundings to severe detachment from one’s physical and emotional environment. (Dell and O'Neil, 2009).
Raman spectroscopic studies of a thionine-modified electrode

Raman spectroscopy has been used to determine the structure of the surface coat of a thionine-modified gold electrode. Spectra have been observed from the thionine form of the coat; no spectra could be obtained from the leucothionine form. Evidence is presented to show that the surface coat exists as a polymeric film with the individual thionine units linked via an amino nitrogen in a secondary amine structure. There is no evidence of chemical bonding between the film and the electrode. Raman spectroscopy has also been used to study the movement of charge through the film as it is oxidised and reduced. Observed spectra are shown to be due to a combination of resonance- and surface-enhanced Raman scattering. No spectra could be obtained from either the thionine or the leucothionine forms of a thionine-modified platinum electrode.
Genetic variability of quantitative traits in finger millet genotypes

Finger millet (Eleusine coracana) is one among the small millets which is known for its high nutritional value. Finger millet is having substantial genetic variation which is to be exploited for crop improvement. Keeping this in view the present topic was aimed to study the genetic variability, heritability and correlation of grain yield and yield related traits in 10 finger millet genotypes obtained from all over India. Analysis of Variance revealed significant variation for many traits studied. There was wide range of variation in days to 50% flowering (83 to 100 days) and grain yield (24.0 to 35.1 q/ha). Considering both earliness and yield, VL 352 can be suggested as a better variety for grain yield and KOPN 942 for fodder yield. Genotypic Coefficient of Variation (GCV) ranged from low to moderate. Days to 50% flowering, days to maturity, finger length, finger width and leaf length recorded high heritability with moderate GAM indicating presence of both additive and non-additive gene action. Though grain yield had moderate heritability, its moderate GAM indicates both types of gene action which responds to some extent for selection.
Examination of the thermal decomposition of kraft pine lignin by Fourier transform infrared evolved gas analysis

The thermal decomposition of kraft lignin was examined by Fourier-transform IR evolved-gas analysis, a technique designed for on-the-fly, simultaneous monitoring of multiple vapor-phase species. Initial degradation occurs at 120-300 degrees from bond fragmentation in the phenylpropane side chains as evidenced by the formation of HCO2H, HCHO, CO2, H2O and SO2. The presence of SO2 is supporting evidence that S from the kraft pulping process may be incorporated into the lignin structure in the form of sulfoxide and(or) sulfone linkages. Major decomposition initiates at approximately 300 degrees and extends to 480 degrees at which point half the intital weight has been lost. MeOH 2-methoxyphenol (guaiacol), and a 2-methoxy-4-alkyl- substituted phenol are the most apparent species evolving in this region and indicate fragmentation of the major chain linkages between the monomeric phenol units in the lignin structure.
ESR Studies on the Bonding in Copper Complexes

ESR spectra of copper complexes have been interpreted by means of molecular orbital theory, and the ``covalent'' character of both σ and π bonds have been discussed for a variety of compounds. Overlap integrals have been considered in a consistent manner in treating σ bonds. Particular attention has been given to Cu phthalocyanine and several of its derivatives. The in‐plane π bonding may be as important in determining the properties of a Cu complex as is the in‐plane σ bonding.
Pyruvate Decarboxylase: A Molecular Modeling Study of Pyruvate Decarboxylation and Acyloin Formation

Using crystal structure data for the pyruvate decarboxylase from Saccharomyces uvarum (which is nearly identical with the enzyme from Saccharomyces cerevisiae), molecular modeling studies have been carried out to investigate the mode of action of the enzyme. Each step of the decarboxylation mechanism can be explained by assuming that the 4‘-amino group of thiamin diphosphate (TDP) acts as a general acid and, in its deprotonated form, as a general base. The carboxyl group of Glu 477 plays a key role in both pyruvate decarboxylation and acyloin formation. In the first case it interacts with the carboxylate group of pyruvate to stabilize the incipient dianion formed by attack of the thiazolium carbanion on pyruvate. In the second case, it interacts with the developing alkoxide anion arising from attack on acetaldehyde or benzaldehyde by the carbanion−enamine intermediate. These studies have permitted the assignment of configuration to all of the key intermediates in the catalytic process. Thus the carbanion−.