Miracle-dz/UniFAR-FTUs huggingface dataset:
Effect of oligoribonucleotides with D-mannitol complexes on oxidative stress indicators against thioacetamide-induced liver fibrosis

The aim of the study. To determine the effect of oligoribonucleotides-D-mannitol complexes (ORN-D-M) on the indicators of oxidative destruction of biomolecules and the antioxidant system of cells in thioacetamide (TAA)induced liver fibrosis. Materials and methods. Liver fibrosis was induced for 8 weeks by intraperitoneal administration of TAA (150 mg/kg body weight). ORN-D-M (200 mg/kg per os) was administered orally during intoxication. At the end of the experiment, the liver was excised and examined for the content of oxidative stress products and the activity of antioxidant enzymes. Data were analyzed using the ANOVA test followed by Tukey post hoc testing. Results. It is shown that the monotherapeutic treatment of ORN-D-M in TAA-induced liver fibrosis has a pronounced protective effect, which is manifested in the reduction of oxidative stress. ORN-D-M led to the attenuation of free radical damage of biopolymers, which was manifested in a decrease in the levels of peroxidation products of lipids and proteins with a simultaneous increase in the level of protein thiol groups and reduced glutathione. In addition, treatment with complexes increased the activity of the antioxidant defence system of cells. Conclusions. The obtained results indicate that ORN-D-M complexes have a potential hepatoprotective effect in TAA-induced liver fibrosis. The complexes are able to effectively reduce the indicators of oxidative damage of biomolecules with a simultaneous increase in the activity of enzymes of the antioxidant system in TAAinduced fibrosis
Synthesis and characterization of chitosan/poly(acrylic acid) polyelectrolyte complex

Polyelectrolyte complex based on chitosan and acrylic acid monomer by photoinitiated free-radical polymerization in the absence of crosslinker showed a large transition in swelling in response to changes in pH of surrounding medium. Their ability to swell arises from polyelectrolyte interactions and molecular structure of the complex. The main properties of interest that related to the molecular structure, swelling volumes, glass transition temperature, and elastic modulus of the complex were investigated. The effect of water content, the only variable in the sample component, played an important role in molecular structure of the complex and as a consequence, the extent of intermolecular linkage, especially amide bonds which in turn governed the degree of swelling of the polyelectrolyte complex in this study. The decreased degree of swelling and higher temperature shift of glass transition temperature was found with increased water content, whereas increased modulus of elasticity of dry complex was found in lower water content of synthesis component.
Hydrogen adsorption and cohesive energy of single-walled carbon nanotubes

Hydrogen adsorption on crystalline ropes of carbon single-walled nanotubes (SWNT) was found to exceed 8 wt. %, which is the highest capacity of any carbon material. Hydrogen is first adsorbed on the outer surfaces of the crystalline ropes. At pressures higher than about 40 bar at 80 K, however, a phase transition occurs where there is a separation of the individual SWNTs, and hydrogen is physisorbed on their exposed surfaces. The pressure of this phase transition provides a tube-tube cohesive energy for much of the material of 5 meV/C atom. This small cohesive energy is affected strongly by the quality of crystalline order in the ropes.
Synthesis, spectral studies of copper(II)tetrathiocyanato dithallate(I) complexes with some acylhydrazones and their antimicrobial activity

Heterobimetallic complexes of Cu[Tl(SCN)2]2 ·; L (where L = acetophenone benzoylhydrazone(abh), acetophenone isonicotinoyl hydrazone(ainh), acetophenone salicyloylhydrazone(ash), acetophenone anthraniloyl hydrazone(aah), p-hydroxy acetophenone benzoylhydrazone (phabh), p-hydroxy acetophenone isonicotinoyl hydrazone (phainh), p-hydroxy acetophenone salicyloylhydrazone(phash) and p-hydroxy acetophenone anthraniloyl hydrazone(phaah) were synthesized and characterized. Electronic spectra and μeff values suggest a distorted octahedral environment around copper(II). SCN groups bridge between two metal centers and the ligands are coordinated through >C=O and >C=N–groups. Thermal studies (TGA and DTA) on Cu[Tl(SCN)2]2 · ainh indicate multi step decomposition of both endothermic and exothermic nature. ESR data show axial spectra for all the complexes and d x² − y 2 as the ground state. Powder X-ray diffraction parameters for some of the complexes correspond to orthorhombic crystal lattice. The complexes show significant antifungal activity against Rizoctonia sp. and Stemphylium sp. and moderate antibacterial activity against Clostridium sp. and Pseudomonas sp. The activity increases at higher concentration of the compound.
Polystyrene thin films treatment under DC pulsed discharges conditions in nitrogen-argon and oxygen-argon mixtures

This paper is the third of a trilogy [16,75] devoted to polystyrene thin film treatment under DC pulsed discharges conditions. In order to study the wettability variations () of the surface, N 2 -Ar or O 2 -Ar mixtures are used. The experimental conditions are close to the best running conditions deduced from [16,75]. The pressure is varied from 1 mbar to 10 mbar and the mixture proportion from 0% to 100%. The importance of metastable states is pointed out. Reaction processes in the plasma and on the polystyrene surface are proposed in order to explain the surface activation and the formation of chemical bonds with nitrogen or oxygen. The best running conditions are reached when the generator frequency equals 500 Hz for a pressure about 4 mbar in nitrogen and 10 mbar in oxygen, whatever the gas mixture composition is. The wettability is better with oxygen than with nitrogen and the best value is reached for a duration time shorter in oxygen than in nitrogen. The minimum of treatment time necessary to reach the plateau value depends on the mixture composition.
Ligand-Protein Interactions: A Hybrid ab initio/Molecular Mechanics Computational Study

Cyclooxygenases (COX), or prostaglandin endoperoxide synthases (PTGS), are key enzimes in the synthesis of prostaglandins, which are chemical species critical in mediating inflammatory processes. There are two highly homologous COX isoforms: COX-1 and COX-2. COX-1 is involved in the production of prostaglandins, chemical compuounds that take part in physiological processes such as: protection of the gastric epithelium, maintenance of renal flow, platelet aggregation, neutrophil migration and, also, are expressed in the vascular endothelium. Meanwhile, COX-2 is induced by proinflammatory stimuli. It is very frequent the use of nonsteroidal antiinflammatory drugs (NSAIDs) to counteract the symptoms of inflammatory processes. These drugs, in addition to its benefits, can cause side effects on people’s health, such as cardiovascular and respiratory problems, among others. In the past years, it has been recognized the potential of plants secondary metabolites as pharmacological agents, prompting the need for investigations that shed light into its mechanism of action. In this work we have applied computational techniques, based on quantum chemistry and mechanical statistics, to study the protein-ligand interaction involving COX’s and secondary metabolites from natural sources. Our aim is to determine the structure activity interplay in processes involving the participation of secondary plant metabolites such as luteolin, galangin, kaempferol, apigenin, morine and quercetin on the inactivation of COX’s. From molecular docking analysis, we have extracted the energetics of the COX-(1,2)/metabolite coupling. By defining energy based factors, we have determined a procedure that predicts the chemical species with highest stability and selectivity towards inactivation of COX-2 over COX-1. The results are discussed with regard to conformational features of the selected ligands and its intermolecular strong/weak interactions inside the active-sites of the COX’s hosts.
The path to 25% silicon solar cell efficiency: History of silicon cell evolution

The first silicon solar cell was reported in 1941 and had less than 1% energy conversion efficiency compared to the 25% efficiency milestone reported in this paper. Standardisation of past measurements shows there has been a 57% improvement between confirmed results in 1983 and the present result. The features of the cell structure responsible for the most recent performance increase are described and the history of crystalline and multicrystalline silicon cell efficiency evolution is documented. Copyright © 2009 John Wiley & Sons, Ltd.
Chemically cross-linked microtubule assembly shows enhanced dynamic motions on kinesins

Biomolecular motors have cooperative functions that facilitate various important cellular functions such as signaling and deformation. However, the multiple-molecular behavior is poorly understood when compared with the well-studied behavior of single molecules. Kinesin and microtubules (MTs) are a combination of motor and rail proteins that have been reported to show cooperativity in moving patterns. Here, we report that cross-linking of isotropic MTs enhances the movement of the local network temporally, which can elicit the effective conveyance of 5 μm diameter silica microbeads. The average velocity of the beads reached 143 nm s−1 for over 15 min, which is 2.7 times higher than the beads on kinesin-driven MTs without cross-links. Although the velocity of the beads fluctuated over the time course, the maximum velocity calculated from 5 s displacement reached 1.2 μm s−1, which was ca. 3-fold higher than the intrinsic driving velocity of kinesins, i.e., the sliding velocity of the MTs without cross-links. This technique provides such an enhanced movement by simply cross-linking the isotropic MTs, but without specific control or alignment over network polarity. The enhancement in the local motion of the MTs is discussed in terms of the “mechanochemical” effect coupled between dynamically stored elastic energies in the MT network and the collective motion of MTs driven by an ATP-fueled kinesin motor.
Thermodynamics of the adsorption of small molecules by proteins

An analysis of the binding of small molecules to proteins in solution is given using the methods of adsorption thermodynamics. It is shown that heats of binding may be obtained as a function of the binding ratio directly for non-ionic molecules and of ionic molecules binding in the presence of excess electrolyte. Ion-exchange data are required in addition to binding curves to obtain heats of binding for ionic ligands in the absence of excess neutral electrolyte. A comparison is made of the theory presented here with that given by Klotz. Data are presented on the binding of sodium dodecyl sulphate to keratin and the theory, applicable only below the critical micelle concentration, is used to calculate heats of binding up to this point. The integral heat of binding at high coverage is only 2 kcal mole-1, corresponding to physical adsorption. Binding continues to a maximum at a concentration above the micelle point. The entropy change of the condensed phase rises with increasing coverage.
Estimating the availability of nitrogen in poultry manure through laboratory and field studies

Excessive applications of poultry (chicken, Gallus gallus domesticus) manure in some cropping systems have resulted in nitrate contamination of groundwater. To determine the application rates necessary for optimum crop growth and minimal nitrate leaching, estimates of the availability of N in poultry manure are necessary. This research investigated, under laboratory and field conditions, an approach that could be used to predict available N in poultry manure. In the laboratory study, 20 manures were incorporated with a Kalmia sandy loam (Typic Hapludults) at rates estimated to provide 100 mg predicted available N (PAN) kg⁻¹ soil, where PAN = 80% Nᵢ + 60% Nₒ and Nᵢ = (NH₄-N + NO₃-N), Nₒ = (Total N − Nᵢ). Actual available N, defined as Nᵢ initially extractable by 2 M KCl, plus N mineralized during a 140-d nonleached incubation study, ranged from 54 to 118 mg N kg⁻¹ soil. A field study was also conducted at two locations comparing three poultry manures, applied at rates of 0, 90, 180, and 270 kg PAN ha⁻¹, with ammonium nitrate (AN) applied at the same rates. Irrigated corn (Zea mays L.) was grown at both sites during 1985 and soil, plant, and yield data were obtained. Nitrogen content of ear leaf samples at mid-silking was significantly less, at both sites, for the three manures than for AN. No significant differences in grain yields were observed between N sources at site one, but average yields (across N rate) were significantly less with two of the poultry manures (PM-7, PM-11), relative to AN, at site two. Postharvest soil samples (0–100 cm) were obtained from the control (0N) and 270 kg PAN ha⁻¹ rates of all N sources. Residual Nᵢ was less than 10 mg kg₋₁ for all treatments and depths; however, significantly higher (P = 0.08) NO₃-N levels were found with AN at the 60 to 80 depth cm at site two and at the 80 to 100 cm (P < 0.05) depths at sites one and two. The field study was repeated at the same sites in 1986 to assess the residual N value of manure applied in 1985. Based on ear leaf N and grain yields, residual available N from manures was determined to be less than 45 kg N ha⁻¹. The second year decay constant for PM was estimated, by comparison with AN yields, to be 0.11 and 0.06 at sites one and two, respectively. Published by the Delaware Agric. Exp. Stn. as Misc. Paper no. 1171. Contribution no. 983 of the Dep. of Plant Sci., Univ. of Delaware, Newark, DE.
Stability of Activated Persulfate in the Presence of Aquifer Solids

Bench-scale experiments were performed to investigate the persistence of activated persulfate using citric acid (CA) chelated ferrous (Fe(II)), peroxide (H2O2), or hydroxide (OH−) activation in the presence of well-characterized aquifer solids. Chelation by citric acid was ineffective in controlling the interaction between persulfate and Fe(II), and oxidation of Fe(II) was observed, causing a rapid initial decrease in persulfate concentration. Subsequent to this loss, first-order persulfate degradation rate coefficients (kobs) were estimated, which were up to four times higher than the unactivated case due to the interaction with Fe(III), Fe(II), or CA. Total oxidation strength (TOS) was measured for peroxide activation experiments and was observed to decrease rapidly early due to peroxide degradation. This was followed by slow degradation kinetics similar to that of unactivated persulfate, implying that the initial TOS degradation was peroxide-dominated and the long-term kinetics were dominated by persulfate degradation. The kobs later used to capture TOS degradation were ∼1 to 100 times higher than kobs for unactivated persulfate. For alkaline activation, kobs were only one to four times higher than unactivated persulfate, and therefore alkaline conditions demonstrated the least overall impact on persulfate stability among the various activation strategies explored.
Formulation and Evaluation of SMEDDS with Capmul MCM for Enhanced Dissolution Rate of Valsartan

The present investigation was carried to develop self microemulsifying drug delivery system (SMEDDS) for solubility enhancement of water insoluble drug (Valsartan). Based on the pseudo ternary phase diagrams five formulations (SM1, SM2, SM3, SM4, and SM5) were prepared and evaluated for dispersibility, robustness on dilution, percentage of transmittance, viscosity, globule size analysis, zeta potential, scanning electron microscopy and in-vitro dissolution studies. The results revealed that the formulation SM4 (28.8% w/w-Capmul MCM, 44.8% w/w- Cremophor RH 40, 22.4% w/w -1, 2- propylene glycol) considered as the optimized formula because of its globule size, zeta potential and in vitro release of 98.28% within 40 min. Also scanning electron microscopy indicated that self microemulsifying drug delivery system after converting to micro emulsion showed an elongated oil droplet size of around 100 nm.The zeta potential indicated that the formation of micro emulsion depended dramatically on concentration of COO − groups for oils which decrease the surface charge of the emulsions. The studies demonstrated the promising use of SMEDDS for the delivery of Valsartan by the oral route with improved solubility and dissolution rate.
Reactions of the stable bis(amino)silylene Si[{N(CH2tBu)}2C6H4-1,2] with group 3 or lanthanide metal organic compounds. Crystal structures of [Ln(η5-C5H5)3Si{[N(CH2tBu)]2C6H4-1,2}]·C7H8 (Ln = Y or Yb)

Treatment of the thermally stable aminosilylene Si[{N(CH2tBu)}2C6H4-1,2] [= Si(NN)] with a tris(cyclopentadienyl)- group 3 or -lanthanide metal compound LnCp3 (Cp = η5-C5H5 and Ln = Y or Yb) in toluene at ambient temperature afforded the first earliest transition or f-block metal-silylene complexes [LnCp3{Si(NN)}]·C7H8 (Ln = Y (1) or Yb (2)), characterized by NMR spectroscopy and X-ray crystallography: complex 1 (monoclinic, space group P21/c (no. 14), a = 15.641(5), b = 15.895(7), c = 14.876(5) A, β = 112.93(3), Z = 4, R1 = 0.067 for 6194 observed data), and2 (monoclinic, space group P21/c (no. 14), a = 15.635(3), b = 15.795(2), c = 14.842(2) A, β = 112.87(2), Z = 4, R1 = 0.044 for 9829 observed data). The Ln atom in each of the isoleptic complexes 1 and 2 has distorted trigonal monopyramidal geometry, with the approximately trigonal silicon atom in the apical position. The Ln-Si bond length is 3.038(2) (1) or 2.984(2) A (2). Variable temperature 29Si{1H} NMR spectra in toluene-d8 show that each complex .
Biodiesel for Future Transportation Energy Needs

Abstract Biodiesel is a natural, renewable transportation fuel. Biodiesel is the best candidate for diesel fuels in diesel engines with no alterations. Biodiesel is a nontoxic, biodegradable alternative to petroleum diesel that substantially reduces air pollution. Biodiesel fuel typically comprises lower alkyl fatty acid (chain length C14-C22), esters of short-chain alcohols, primarily, methanol or ethanol. Methyl esters of vegetable oils have several outstanding advantages over other new-renewable and clean engine fuel alternatives. Biodiesel production using inedible vegetable oil, waste oil, and grease has become more attractive recently. The economic performance of a biodiesel plant can be determined once certain factors are identified, such as plant capacity, process technology, raw material cost, and chemical costs. The cost of biodiesel fuels varies depending on the base stock, geographic area, variability in crop production from season to season, the price of crude petroleum, and other factors. Biodiesel seems to be a realistic fuel for the future; it has become more attractive recently because of its environmental benefits.
Novel Nanostructures of Functional Oxides Synthesized by Thermal Evaporation

Functional oxides are the fundamentals of smart devices. This article reviews novel nanostructures of functional oxides, including nanobelts, nanowires, nanosheets, and nanodiskettes, that have been synthesized in the authors’ laboratory. Among the group of ZnO, SnO2, In2O3, Ga2O3, CdO, and PbO2, which belong to different crystallographic systems and structures, a generic nanobelt structure has been synthesized. The nanobelts are single crystalline and dislocation‐free, and their surfaces are atomically flat. The oxides are semiconductors, and have been used for fabrication of nanodevices such as field‐effect transistors and gas sensors. Taking SnO2 and SnO as examples, other types of novel nanostructures are illustrated. Their growth, phase transformation, and stability are discussed. The nanobelts and related nanostructures are a unique group that is likely to have important applications in electronic, optical, sensor, and optoelectronic nanodevices.
Calculation of Absolute and Relative Acidities of Substituted Imidazoles in Aqueous Solvent

We calculate free energy changes of ionization reactions in aqueous solvent using a self-consistent reaction field method. In the calculations all species are treated as quantum mechanical solutes coupled to a solvent dielectric continuum. We show for a series of substituted imidazole compounds that both absolute and relative pKa values for the deprotonation of nitrogen on the imidazole ring can be obtained with an average absolute deviation of 0.8 units from experiment. This degree of accuracy is possible only if the solutes are treated at the correlated level using either G2 type or density functional theory. Inconsistencies in published experimental free energies of hydration that might undermine the reliability of the calculated absolute pKa values are discussed.
Characteristics of aeration properties of orthic luvisol from Poland under different land use.

The present publication comprises results of measurements of aeration status related to soil properties such as: oxygen diffusion coefficient (D/D 0 ), oxygen diffusion rate (ODR), redox potential (Eh), dehydrogenase and catalase activities as well as Fe +2 content at the soil moisture tensions of 63, 159 and 500 hPa in the (Ap) surface and (E) subsurface horizons of 3 soil profiles of an Orthic Luvisol under different land use (forest, farm and experimental field). Results of the investigations showed differentiation in the neration properties related to land use, soil horizons, water tension and reciprocal dependencies of aeration parameters.
Flow cytometry analysis of effects of glass on response of osteosarcoma cells to plasma-sprayed hydroxyapatite/CaO-P2O5 coatings

Multilayered coatings composed of mixtures of hydroxyapatite (HA) and P2O5-based bioactive glasses offer potential clinical benefits in orthopedic and dental surgery. In this study double-layer plasma-sprayed coatings were prepared and the biological response evaluated in tissue cul- ture using two human osteosarcoma cell lines, MG63 and HOS TE85 (HOS). The cells were cultured on the materials and the effects on cell growth were determined using a spec- trophometric assay of a mitochondrial enzyme that is active in viable cells. While none of the materials influenced the growth of the MG63 cells, the HOS cells appeared to un- dergo less proliferation on all the HA materials. Flow cy- tometry analysis was carried out using rabbit antibodies against osteonectin, osteopontin, bone sialoprotein, fibro- nectin, and collagen type I to measure the effects of the materials on key cellular functions. The results showed that the materials downregulated the expression of these extra- cellular matrix antigens by MG63 cells whereas they had less effect on the HOS cells compared to the same cells incubated on a plastic surface. Notably, with both cell lines the com- posite with the higher percentage of glass restored the pro- duction of connective tissue proteins to levels that were more similar to those present in the control cells. © 1999 John Wiley & Sons, Inc. J Biomed Mater Res, 47, 603-611, 1999.
Hot-Wire Chemical Vapor Deposition Epitaxy on Polycrystalline Silicon Seeds on Glass

During the last few years, hot-wire chemical vapor deposition (HWCVD) has been explored as a low-temperature process for epitaxially thickening c-Si seeds layers on low cost substrates. Here, we demonstrate HWCVD epitaxy on thin polycrystalline silicon seed layers on borosilicate glass substrates. The crystal Si seeds are large-grained (~10 µm) polycrystalline silicon that were fabricated by Al-induced crystallization of a-Si. We report the growth of 0.5 µm of epitaxy