Miracle-dz/UniFAR-FTUs huggingface dataset:
Dynamics of Excited States of the Carotenoid Peridinin in Polar Solvents: Dependence on Excitation Wavelength, Viscosity, and Temperature.

The dynamics of the excited states of the carotenoid peridinin in polar solvents were studied using femtosecond transient absorption spectroscopy in the spectral range of 500−1900 nm. A broadening of the absorption spectrum in polar solvents is caused by a distribution of conformers having different ground-state properties. In addition, the dependence of the peridinin lifetime on the excitation wavelength reveals that two peridinin forms coexist in protic solvents, where a “red”-absorbing form is produced by hydrogen bonding via the carbonyl group. The observed dynamics show that the S1 and intramolecular charge transfer (ICT) states of peridinin are strongly coupled, forming a collective S1/ICT state whose lifetime is determined by the degree of ICT character. In nonpolar solvent, pure S1 character with a lifetime of ∼160 ps is observed, whereas in polar solvents an increase in the ICT character leads to a lifetime as short as 10 ps in methanol and 13 ps in ethylene glycol. In protic solvents, the ICT ch.
Study on thermomechanical properties of cross-linked epoxy resin

In this paper, molecular dynamics simulation was carried out to investigate the thermomechanical properties of cross-linked epoxy resin. The glass transition temperature, coefficients of thermal and moisture expansion, mechanical property parameters and so on are studied with the influence of temperature, water concentration and polymer conversion taken into account. The simulation results were in good agreement with existing experimental data.
Chemical and biochemical characterization of soybean produced under drought stress

Brazil is the second soybean (Glycine max L. Merrill) producer and exporter in the world. In 2005, soybean cultivated in the southeastern region of the country suffered drought stress imposed by adverse high temperatures and low humidity during its reproductive stage. Little information is available regarding the effect of drought stress on the quality of grains. In this study chemical and biochemical characteristics of five soybean samples belonging to three different cultivars grown under drought stress were evaluated. The samples did not meet standards for marketing and contained high amounts of green seeds. Grains were analyzed for appearance, 100 seed weight, humidity, water activity, proteins, lipids, lipoxygenase 1 activity, peroxides, and pigment contents after harvest and after 20 months of storage at room temperature. Acidity was measured also after 30 months of storage. The values of water activity and humidity were 0.6-0.7 and 8.7-11.9%, respectively, and they did not change during storage time, but there was an increase in acidity, which alludes to lipase activity. The activity of lipoxygenase 1 was greatly affected. Immediately after harvest, the green pigments were represented mainly by pheophytin a, followed by pheophytin b, small quantities of chlorophyll b and chlorophyll a, and traces of other chlorophyll derivatives. After 20 months of storage almost all green pigments had disappeared. Drought stress probably enhanced membrane permeability, which led to a lower pH and promoted transformation of chlorophylls to pheophytins.
Atomic layer deposition of high-purity palladium films from Pd(hfac)2 and H2 and O2 plasmas

A plasma-assisted atomic layer deposition (ALD) process has been developed that allows for low temperature (100 °C) synthesis of virtually 100% pure palladium thin films with low resistivity of 24 ± 3 μΩ cm on oxide substrates. This process is based on Pd(hfac)2 (hfac = hexafluoroacetylacetonate) precursor dosing followed by sequential H2 plasma and O2 plasma steps in a so-called ABC-type ALD process. Gas-phase infrared spectroscopy studies revealed that the O2 plasma pulse is required to remove carbon contaminants from the Pd surface that remain after the H2 plasma reduction step. Omitting the O2 plasma step, that is, Pd ALD from Pd(hfac)2 and H2 plasma in a typical AB-like ALD process, leads to a carbon contamination of >10% and significantly higher resistivity values. From transmission electron microscopy, it has also been observed that the ABC-type process leads to a faster nucleation of the Pd nanoparticles formed during the initial stage of film growth. As this novel process allows for the depositio.
MODELING VACUUM-CONTACT DRYING OF WOOD: THE WATER POTENTIAL APPROACH

ABSTRACT A two-dimensional mathematical model for vacuum-contact drying of wood is presented. The moisture and heat equations are based on the water potential concept whereas the pressure equation is formulated considering unsteady state conservation equation of dry air. Most of the model parameters were determined during independent experiments. The set of equations is then solved in a coupled form using the finite element method. The validation of the model is performed using experimental results obtained during vacuum-contact drying of sugar maple sapwood. The experimental and calculated data are in good agreement. Nevertheless, some discrepancies are observed which can be attributed to the boundary conditions used and to the fact that heat transfer by convection was neglected.
Role of Structure in the Measurement of Flow Properties of Food and Starch Dispersions: A Review

In this review, briefly the role of structure of food dispersions in their rheological properties and how it affects rheological measurement are discussed. Besides processed food dispersions, starch dispersions during and after gelatinization are considered. The discussion points out to the benefit of studying rheological properties of dispersions with known composition and structural characteristics. Lastly, we discuss frequency shift factor for superposing the temperature and shear dependent viscosity data during gelatinization of starch dispersions to obtain master viscosity curves.
Sewage Sludge to Energy - A Simulation Study

Abstract The global shortage of resources and the intention to reduce CO2 emissions from fossil sources has triggered new approaches in the wastewater industry. Better ways are sought for to manage sewage sludge and to exploit its value as a secondary resource. However, we see a lack of tools to assess the appropriate treatment strategy which leads to imperfect process choices and designs. Here we present (a) a modeling approach and a simulation tool that allows the systematic evaluation of different sewage sludge treatment options and (b) a test case study for a mid-sized waste water treatment plant. The sludge model is discussed and tested for consistency with alternative approaches. In the case study, the direct conversion to electricity in a Rankine cycle is shown to be superior to biogas production or dried sludge export based on an energy cost analysis. The development presented is believed to enable more efficient waste-to-energy conversion and to contribute to sustainable resource management.
A retrospective study of female breast cancer: Stage and age correlation

Background: With 1 million new cases in the world each year, breast cancer is the commonest malignancy in women and comprises 18% of all female cancers. At present carcinoma breast is the leading cancer in India and is competing cancer cervix in incidence. Epidemiological studies at regional and global levels suggest the occurrence of carcinoma breast at a younger, premenopausal age in Indian and Asian women as compared with western women. Knowledge of this factor emphasizes the need to modify the timing of modalities of detection of early carcinoma and its management. According to literature, majority of carcinoma breast cases in the western countries present in Stages I and II of the disease whereas in India majority cases present in Stage III of the disease. The objective of this study is to observe and study age correlation with female breast cancer. Methods: A retrospective study was conducted in 267 patients of histopathologically confirmed breast cancer. Results: Mean age of subjects was 44.34±8.55 years. Age distribution showed peaks at 41-50 years with 134 patients. This study shows that 71.90% of the total patients were having advanced carcinoma breast (Stage III, IV) and 73.7% of these patients were below 50 years of age. Conclusions: Breast cancer is increasingly occurring in younger age groups in India when compared with western countries and a more aggressive nature of the disease strikes in their reproductive period suggesting the need for change in modalities of early cancer detection and adjusting preventive and therapeutic efforts.
Modeling of Solid Acid Catalyzed Alkylation Reactors

The current solid acid catalyst based alkylation processes suffer from rapid deactivation of the catalysts which is affected by the shape and size of the catalysts, reactor configuration and the reactants feeding pattern. In this work, the deactivation of the solid acid catalysts in alkylation of iso-butane with butene and the reactor performance are studied using the multi-scale mathematical models. A pseudo-steady state catalyst pellet level model, incorporating the alkylation and deactivation kinetics, is coupled to the transient model of back mixed reactor configurations like a single CSTR and CSTR-in-series. The effects of catalyst shape, initial acid strength of the catalyst, paraffin-to-olefin feed ratio on the conversion of the olefin, on the yield of alkylates and on the time required for complete deactivation of the catalyst are investigated. The role of the size of the catalyst particles on the types of deactivation mechanism is elucidated. The effect of contacting pattern of iso-butane and butene in the reactor on the catalyst life and on the alkylate yield is also presented.
(V2O5)n Gas-Phase Clusters (n = 1−12) Compared to V2O5 Crystal: DFT Calculations

Stable structures of neutral (V2O5)n clusters (n = 1−5, 8, 10, and 12) are determined by density functional calculations (BP86 functional with a double-ζ (V)/triple-ζ (O) valence basis set augmented by polarization functions). Comparison is made with calculations for the periodic structure of solid V2O5. The most stable structure of the smallest cluster is doubly O-bridged, OV−O2−VO2, and by 184 kJ/mol VO2.5 less stable than the periodic bulk structure. From the tetrahedral V4O10 structure on (41 kJ/mol VO2.5 above the crystal energy) polyhedral cage structures are the most stable isomers: trigonal prism (V6O12), cube (V8O20), pentagonal prism (V10O25), 16-hedron (V16O40), dodecahedron (V20O50), and truncated octahedron (V24O60). The polyhedra have vanadyl groups at the apexes and bridging oxygen atoms on the edges. Differently from the crystal structure, vanadium is 4-fold coordinated and 3-fold coordinated oxygen is avoided. The energies relative to the periodic solid are 22.1, 12.4, 9.4, 5.5, 3.3, and.
A study of the bandwidth of multimode optical fibers

The multimode optical fiber maximum operational range is defined by the fiber bandwidth (related to the intermodal dispersion) rather than by the fiber attenuation. The relation among the modal bandwidth of the fiber, the launching condition and mode coupling is fairly complicated. Presented is a theoretical and experimental study on the modal bandwidth of the multimode fiber. Theory is based on the numerical solution of coupled mode diffusion equation that allows for the bandwidth calculation of the MM optical fiber. The results are backed by measurements. In the Telecommunications Institute, Warsaw, such measurements may be performed up to ~600 MHz with a set up based on the frequency response measurement. The MM fibers are excited via a single mode patchcord with mechanically adjusted offset from the center. The patchcords with various MFDs can be used.
Microbial and surface chemistry controls on reduction of synthetic Fe(III) oxide minerals by the dissimilatory iron‐reducing bacterium Shewanella alga

The role of Fe(II) biosorption and the effect of medium components on the rate and long‐term extent of Fe(III) oxide reduction (FeRed) by a dissimilatory Fe(III)‐reducing bacterium (Shewanella alga strain BrY) were examined in batch culture experiments. Introduction of fresh S. alga cells into month‐old cultures in which Fe(III) reduction had ceased resulted in further reduction of synthetic amorphous Fe(III) oxide, hematite, and two forms of goethite (Gt). Fresh S. alga cells were also able to reduce a substantial amount of synthetic Gt that had been partly or completely saturated with sorbed Fe(II). Cells that had been precoated with Fe(II) showed a reduced rate and capacity for FeRed. These results indicated that biosorption of Fe(II) had a major impact on FeRed. S. alga cells were shown to have an Fe(II) sorption capacity of ∼0.1 mmol g−1, compared with ∼0.25 mmol g−1 determined for the synthetic Gt. Sorption experiments with component mixtures indicated that direct interaction between cells and oxide.
Development of methanol‐fueled low‐temperature solid oxide fuel cells

Low‐temperature solid oxide fuel cell (SOFC, 300–600°C) technology fueled by methanol possessing significant importance and application in polygenerations has been developed. Thermodynamic analysis of methanol gas‐phase compositions and carbon formation indicates that direct operation on methanol between 450 and 600°C may result in significant carbon deposition. A water steam/methanol ratio of 1/1 can completely suppress carbon formation in the same time enrich H2 production composition. Fuel cells were fabricated using ceria–carbonate composite electrolytes and examined at 450–600°C. The maximum power density of 603 and 431 mW cm−2 was achieved at 600 and 500°C, respectively, using water steam/methanol with the ratio of 1/1 and ambient air as fuel and oxidant. These results provide great potential for development of the direct methanol low–temperature SOFC for polygenerations. Copyright © 2010 John Wiley & Sons, Ltd.
Estimation of genotypic and phenotypic coefficient of variation, heritability and genetic advance in okra [Abelmoschus esculentus (L.) Moench]

The present investigation was carried out at Main Vegetable Research Station, Anand Agricultural University, Anand during Kharif 2017. The experimental material comprised of fifty diverse genotypes of okra collected from different eco-geographical area of the country. The genotypes were evaluated in Randomized Block Design (RBD) with three replications for fruit yield and yield attributing traits in okra. The analysis of variance revealed that mean sum of squares due to genotypes were found highly significant for all the traits under study indicated the existence of tremendous variability present in the experimental material for the characters. The high values of genotypic and phenotypic coefficients of variation were observed for number of branches per plant and chlorophyll content. The high heritability values coupled with high to moderate GCV and PCV as well as high genetic advance were exhibited by chlorophyll content, number of branches per plant, length of internodes, number of internodes on main stem, number of fruits per plant, plant height and fruit yield per plant suggested that preponderance of additive gene action. On the basis of per se performance, heritability and genetic advance as per cent of mean, the genotypes AOL-16-23, Parbhani Kranti, Arka Anamika, Kashi Vibhuti, AOL-10-22, Pusa Sawani, JOL-11-12, AOL-16-01 and AOL-16-03 can be used for development of pure line/ transgressive segregants, which would be effective for the improvement of these traits in okra.
Microwave‐Assisted Synthesis of Nanocrystalline MgO and Its Use as a Bacteriocide

Nanocrystalline particles of MgO were synthesized using microwave radiation in an ethylene glycol solution. The antibacterial activities of the MgO nanoparticles were tested by treating Escherichia coli (Gram negative) and Staphylococcus aureus (Gram positive) cultures with 1 mg mL–1 of the nanoparticles. We have examined the importance of the size effect, pH, and the form of the active MgO species as a bactericidal agent. A clear size dependence of the nanoparticles is observed where the amount of eradicated bacteria was strongly dependent on the particle size.
Approaches to the synthesis of compounds containing fused mesoionic rings

[1,2,3]Oxadiazolo[4,3-c][1,2,4]benzotriazinium-3-olate has been prepared by diazotization of 3-(2-aminophenyl)-1,2,3-oxadiazolium-5-olate [3-(2-aminophenyl)sydnone]. The tricyclic compound has been converted by hydrolysis, thermolysis, and reduction with sodium borohydride into 1,2,4-benzotriazine-3-carboxylic acid. It underwent alkylation with Meerwein's reagent but did not react with 1,3-dipolarophiles even under forcing conditions. Unsuccessful attempts were made to prepare azidoaryl derivatives of mesoionic triazoles, thiazoles, and tetrazoles. 3-(2-Azidocarbonylphenyl)-1,2,3-oxadiazolium-5-olate is converted photochemically into a mesoionic [1,2,3]oxadiazolo[3,4-a]quinoxaline derivative and 3-(2-carbamoylphenyl)-1,2,3-oxadiazolium-5-olate. The pyrolysis of mesoionic tetrazoles is described and aspects of the chemistry of 1,3-diphenyltetrazolium-5-thiolate are briefly discussed. A novel carbonylation reaction of 2,3-diphenyltetrazolium-5-thiolate (dehydrodithizone) is reported, as are complexes of this compound formed by treatment with dipotassium tetrachloropalladate.
Chemical composition of eight cultivars of potatoes. Application of multivariate analysis.

Moisture, protein, starch, amylose, ash, ascorbic acid and fibre contents were determined in potato samples harvested in Tenerife belonging to eight cultivars and three species/subspecies: Solanum x chaucha, Solanum tuberosum spp. tuberosum and spp. andigena. There were several significant differences among the means of various chemical compounds according to cultivar, species or subspecies, local and recently imported potatoes. Mean values of moisture contents were often significantly different concerning the three species/subspecies considered. Local potatoes presented lower moisture and higher content of chemical compounds than the recently imported potatoes. After Varimax rotation, the first component was related to starch, and in a lesser extent to moisture (negatively), the second and the third components were associated to ash. Applying discriminant analysis on potato samples belonging to the spp. tuberosum and spp. andigena, adequate separation according to the cultivars was obtained.
Efficiency of Organic Compost from Agri-Industrial Wastes as Fertilizer for Corn and Wheat

Favorable effects of organic wastes on soil characteristics are capable of permitting a sustainable agriculture. This experiment was conducted to evaluate the effects of organic compost from two agri-industrial wastes on soil fertility and productivity of corn and wheat in Astorga County, northwestern Paraná, Brazil. The organic compost had components from the gelatin industry, which uses bovine chips and shavings by-products from the tannery industry and by-products (filter cake and plant straws) from the sugarcane industry. The experimental design was randomized complete block with eight treatments and four replications. Only the wheat had increased productivity, and there was no response to doses above 25 t ha−1. Not all levels of organic compost affected the soil electrical conductivity.
Fluidized Bed Drying of Aonla (Emblica officinalis)

In the present work an attempt has been made to study the dehydration of aonla (Indian gooseberry) fruits. Aonla fruits, being highly perishable, cannot be kept for long periods. Aonla contains a very high amount of vitamin C, which is highly volatile and susceptible to heat. Sun drying required the longest period of drying (660 min), while the shortest time of drying is with fluidized bed drying at 80°C with 115 m/min air velocity (120 min). The results indicate that there is great loss of most of the ascorbic acid in the aonla slices. This suggests that the drying exposure caused the loss of volatile biochemical compounds. The retention of ascorbic acid in the samples dried in fluidized bed drying is greater compared to those dried under sun and hot air tray.
Deviations from ideal nucleation-limited relaxation in high-Ge content compositionally graded SiGe∕Sia)

The authors report the sudden rise in threading dislocation density in Ge-rich relaxed graded SiGe layers grown at higher growth temperatures (T>550°C). They attribute this rise in threading dislocation density in relaxed Ge to dislocation nucleation. This observation is contrary to conventional graded buffers in Si-rich material, where higher growth temperatures result in reduced threading dislocation densities (TDDs). Additionally, a coupling effect between the effective strain during graded buffer growth and the growth rate was observed, as evidenced by increased TDD values at reduced growth rates. They conclude that reduced growth rates allow more time for the surface to evolve (i.e., roughen) during growth, thereby trapping mobile dislocations and necessitating the nucleation of additional dislocations to continue relaxing the structure.
Polymerization of ethylene using a high-activity Ziegler–Natta catalyst. II. Molecular weight regulation

This article describes studies on the variables that regulate the molecular weight in ethylene polymerization using a highly active Ziegler–Natta catalyst with hydrogen for molecular weight control. The dependence of the degree of polymerization on the concentration of catalyst, cocatalyst, monomer, partial pressure of hydrogen, and temperature has been established. The rate constant for chain transfer with cocatalyst has been evaluated. © 1993 John Wiley & Sons, Inc.
Compounds from Danshen. Part 7. Regioselective introduction of carbon-3 substituents to 5-alkyl-7-methoxy-2-phenylbenzo[b]furans: synthesis of a novel adenosine A1 receptor ligand and its derivatives

By maintaining the balance between the electronic requirements, the stereochemical restrictions as well as the kinetic and thermodynamic factors, the unprecedented regioselective electrophilic aromatic substitution of formyl and nitro groups to carbon-3 of 5-alkyl-7-methoxy-2-phenylbenzo[b]furans have been achieved. Subsequent transformation of the resulting formyl group into methyl, hydroxymethyl, 1-hydroxyethyl, and cyano groups are also described
Annealing effects on optical and crystallographic properties of CBD grown CdS films

CdS films were prepared by chemical bath deposition (CBD) at 60 °C without stirring. The crystallographic structure of the films and the size of the crystallites in the films were studied by x-ray diffraction. The energy gap of the films was found to decrease by annealing. The best annealing temperature for CBD grown CdS films was found to be 350 °C from optical properties. The crystallite sizes were found to increase and the x-ray diffraction patterns were seen to sharpen by annealing. The optical properties of the films were seen to be dependent on the film thicknesses. The band edge sharpness of optical absorption was seen to oscillate by thermal annealing. Self-oxidation and sulfur evaporation were found to be responsible for this oscillating behaviour. Annealing over 400 °C was seen to degrade the optical properties of the film.
Compositional determination of 2,6-dimethyl-1,4-phenylene oxide and styreen hompolymer blends by infrared spectrometry and pyrolysis gas chromatography

Compositional analysis of 2,6-dimethyl-1,4-phenylene oxide (PPO) and styrene homopolymer blends was accomplished using infrared spectrometry and pyrolysis gas chromatography. In infrared measurements the 1030/700 cm−1 absorption ratio provides percent PPO in the blends within ±3% of the actual value but with a σ% of ±10. In pyrolysis GC measurements, four peaks resulting from the fragmentation of the PPO molecule have been investigated for quantitation. One of these peaks provides results with ±2% of the PPO present with a σ% of 7 when the percent PPO in the blend is above 20.