Miracle-dz/UniFAR-FTUs huggingface dataset:
SURFACE MODIFICATION OF HYDROTHERMALLY GROWN ZnO NANOSTRUCTURES WITH PROCESS PARAMETERS

ZnO nanorods (NRs) were hydrothermally synthesized by using equimolar zinc nitrate hydrate (Zn(NO3)2 ⋅ 6H2O) and hexamethylenetetramine (C6H12N4) solutions. The shape of the nanostructures, obtained by aqueous method, was greatly influenced by the growth temperature and the molar concentrations. NRs grown at higher temperature (90°C) have rounded tips, whereas nanostructures of hexagonal flat-end shape were obtained at 75°C. Hardly any nanostructures were observed by further reducing the temperature to 60°C. In addition, solutions with higher molarity favored the appearance of nanoflowers. Scattered ZnO NRs were observed on silicon substrate, whereas aligned ZnO nanowires (NWs) 50–70 nm in diameter were obtained at 75°C by introducing sputtered ZnO film as a seed layer. High-resolution transmission electron microscopy (HRTEM) confirmed the growth of ZnO nanowires along [001] direction. A band-edge luminescence along with a broad visible spectrum was observed for the ZnO nanowires.
Preparation of Platinum Nanoparticles by Sonochemical Reduction of the Pt(II) Ion

Platinum nanoparticles were prepared in an aqueous system using high-intensity ultrasound (200 kHz, 6 W cm-2). The particles formed in the presence of a surfactant (sodium dodecyl sulfate, SDS) were stable, homogeneously spherical, and relatively monodispersed with an average 2.6 nm diameter. The rate of formation of the platinum nanoparticles was 26.7 μM min-1 in the Pt(II)−SDS system. Reducing species generated near and/or in the hot bubbles, which were sonochemically induced in the media, would react with the PtCl42- complexes to form the platinum nanoparticles. Three kinds of the reducing species were proposed to be formed in the sonicated system: (a) radicals formed from the thermal decomposition of SDS at the interfacial region between the cavitation bubbles and bulk solution; (b) radicals formed via reactions of the hydroxyl radicals or hydrogen atoms with SDS; (c) hydrogen atoms. During the reduction of the Pt(II) ion, (b) and (c) ((b) > (c)) may be effective while (a) is only slightly effective,.
Isotopic mapping of transition-state structural features associated with enzymic catalysis of methyl transfer

For comparison of the molecular structures of nonenzymic and enzymic sulfur-to-oxygen transmethylation transition states by the use of kinetic isotope effects, a series of isotopic maps is produced. In these, contours of constant isotope effect are displayed vs. the Pauling bond orders B/sub CS/ and B/sub CO/, for the carbon-sulfur and carbon-oxygen bonds, respectively, taken as independent variables to describe the transition states. Maps are calculated by the BEBOVIB approach for k(CH/sub 3/)/k(CD/sub 3/), k(/sup 12/CH/sub 3/)/k(/sup 13/CH/sub 3/), k(/sup 16/O)/k(/sup 18/O), and k(/sup 32/S)/k(/sup 34/S), with two models for the reaction coordinate, two force-field assumptions, and four temperatures. Nonenzymic isotope effects and isotope effects for catechol-O-methyltransferase action are then used to construct figures on the CH/sub 3//CD/sub 3/ and /sup 12/CH/sub 3///sup 13/CH/sub 3/ maps which correspond to allowed spaces of transition-states structures. Superposition of the figures yields the spaces of transition-state structures simultaneously consistent with both hydrogen and carbon isotope effects. It is concluded that the enzyme compresses the S/sub N/2 transition state and that the compression of the C-O and C-S bonds may well be of the order of 0.15 A per bond and could conceivably be more than twice as large.
Synthesis of O-(2'-Bromopropionyl)glycolic Acid and Its Polymerization: Synthesis of an Alternating Lactic and Glycolic Acid Copolymer

Poly(lactylglycolic acid) (6) polymer was synthesized by the condensation polymerization of O-(2'-bromopropionyl)glycolic acid (5). This is an alternating version of poly(lactic acid-co-glycolic acid) (50:50). Molecular weights as high as 66 000 were prepared. The triethylammonium salt of this acid (5) was formed, and the resulting anion displaced bromine to form the polyester, similar to the formation of poly(glycolic acid) by Pinkus and Subramanyam. 4 This is an unusual method of condensation polymerization, since a hydrobromic acid equivalent is lost instead of water. The method may be applicable to the formation of other polyesters. An improved method of synthesis of O-(2'-bromopropionyl)glycolic acid (5) is also described using a proton as a protecting group
Rheological properties of poly(dimethylsiloxane)

Poly(dimethylsiloxane) solutions are widely used in coating mixtures of many industrial coating processes. The flow of these solutions in and around the coating devices is strongly dependent on their rheological properties. This work presents a comprehensive experimental study of these properties. The tests were carried out for two poly(dimethylsiloxane), PDMS, solutions with vastly different viscosities, 1000 and 30 000 mPa·s. The measurements were taken on the RheoStress RS100 rheometer of Haake, over the range of temperatures 10−50 °C. The solutions were tested for steady shear values, thixotropic behavior, transient shear stress response, yield stress values, creep−recovery response, and dynamic response.
The effect of substituent groups on the migration of metal ions in thin layer chromatography

Abstract A reverse phase thin layer partition chramotography has been performed on metal ions using silica gel G as an adsorbent. The effect of chlorosubstituent groups on the migration of cations has been studied. The use of aqueous solutions of acetic acid, monochloro, dichloro and trichloro acetic acid in the solvent system revealed profound effect of substituent groups on the Rf values of metal ions. The effect of concentration and pH of the mobile phases have been studied. Many qualitative ternary separations have been sucessfully achieved.
Melting curve analysis in a snapshot

The thermal denaturation of molecules is an essential method in biochemistry and diagnostics, including the measurement of single nucleotide polymorphisms and the binding analysis of proteins. We present a method for the all-optical high speed measurement of melting curves. A thin sheet of water is locally heated with an infrared laser to obtain a spatial temperature distribution between 20 and 100°C. Using a fluorescence microscope a melting curve is recorded within 50ms. This is about 10 000-times faster than state-of-the-art fluorometry and yields the same results for the validation example of a DNA hairpin.
Cell assemblies for reproducible multi-anvil experiments (the COMPRES assemblies)

Abstract The multi-anvil high-pressure technique is an important tool in high-pressure mineralogy and petrology, as well as in chemical synthesis, allowing the treatment of large (millimeter-size) samples of minerals, rocks, and other materials at pressures of a few GPa to over 25 GPa and simultaneous uniform temperatures up to 2500 °C and higher. A series of cell assemblies specially designed and implemented for interlaboratory use are described here. In terms of the size of the pressure medium and the anvil truncation size, the five sizes of assemblies developed here are an 8/3, 10/5, 14/8, 18/12, and 25/15 assembly. As of this writing, these assemblies are in widespread use at many laboratories. The details of design, construction, and materials developed or used for the assemblies are presented here.
Atmospheric corrosion modeling

Abstract A better understanding of corrosion processes during the last years is leading to an increased demand for numerical corrosion models. Corrosion models become increasingly relevant toward simulations, lifetime predictions, and the optimization of corrosion prevention. Also, the improvements in computational power and capacity give rise to an increased number of research projects in this field. Totally different modeling approaches are applied to a wide range of different corrosion processes. This leads to a dispersion of information in the literature. The aim of this paper is to give an overview of the present approaches in atmospheric corrosion modeling. In the past, atmospheric corrosion has been modeled based on empirical, historical data. These models provide fitted functions of the corrosion rate or damage as a function of time for different environmental parameters. These methods give no or little information about the underlying physicochemical phenomena that determine the corrosion processes. During the last decade, more and more work has been done on causal approaches. Therefore, the focus will be on these recent advances in atmospheric corrosion modeling. The links will be made to the microscopic models of isolated corrosion phenomena. The examples are crevice corrosion, corrosion under porous layers, and the modeling of local electrochemical methods. Also, some more general, macroscopic approaches will be discussed. These macroscopic approaches will be compared to each other and positioned into the scope of multiscale modeling. The first goal of atmospheric corrosion modeling is to provide tools in the understanding and quantification of the processes under the influence of external atmospheric conditions. These models could reduce the current corrosion assessment methods that essentially rely on empirical models. On a longer term, modeling would aid in optimizing the material selection, structural design, and maintenance management.
Effects of pH on Preparation and Properties of CaTi2O4(OH)2 by Hydrothermal Method

A novel CaTi2O4(OH)2 nanosheet was synthesized using anhydrous calcium chloride, lithium chloride and butyl titanate as the basic raw material by a template-free and surfactant-free hydrothermal method. The crystal structure, morphology and element synthesis were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM) equipped with an EDS system. Effects of pH on the structure, morphology and electrochemical properties were investigated. The results showed that when pH was 6.7, CaTi2O5 phase was obtained. When pH was 8.3, pure CaTi2O4(OH)2 nanosheets were obtained. Further increasing pH to 8.6, CaTi2O4(OH)2 was obtained, however, and CaTiO3 phase also appeared. When pH was 8.3, the rate capacity of CaTi2O4(OH)2 nanosheets was further higher than those of the samples prepared for pH=6.7 and pH=8.6. It indicated that CaTi2O4(OH)2 nanosheets were helpful for lithium insertion and de-intercalation. The sample synthesized at pH=8.3 showed the best electrochemical performances, with first discharge specific capacity of 177.9 mAh/g at 0.1C rate. The CaTi2O4(OH)2 nanosheets might represent an opportunity for the applications in lithium ion battery.
Kinetic Control of Interparticle Spacing in Au Colloid-Based Surfaces: Rational Nanometer-Scale Architecture

This paper details the kinetic aspects of covalent self-assembly of colloidal Au particles from solution onto immobilized organosilane polymers. On glass substrates, surface formation can be monitored using UV−vis spectroscopy and field emission scanning electron microscopy (FE-SEM). Correlation of these data allows the effect of nanostructure on bulk optical properties to be evaluated. At short derivatization times, particle coverage is proportional to (time)1/2. The particle sticking probability p, defined as the ratio of bound particles to the number of particles reaching the surface in a given time period, can be determined from a knowledge of the particle radius, solution concentration, temperature, and solution viscosity; for surfaces derivatized with (3-mercaptopropyl)trimethoxysilane (MPTMS), p ≈ 1. At longer derivatization times, interparticle repulsions result in a “saturation” coverage at ≈30% of a close-packed monolayer. Two approaches for modulating the rate of surface formation are described.
The Improvement of the Removal Efficiency of Foam Flotation by the Synergistic Effect of Mixed Surfactant Solutions

Experimental investigations on the removal of Cd(II) from aqueous solution were carried out using a foam separation technique with sodium lauryl sulfate and sodium laurate. The effects of pH, surfactant, and foreign ions on the efficiency of Cd(II) removal are discussed. Foam flotation with sodium laurate gave better removal efficiency than with sodium lauryl sulfate. It was found that the presence of ions inhibited the Cd(II) removal by foam flotation. It is suggested that the limitation of foam flotation on Cd(II) removal may be overcome by the surface activity of mixed surfactant solutions. The application of the synergistic effect of mixed surfactant solutions to the improvement of the removal efficiency of foam flotation was experimentally verified in this work.
Synthesis of multicomponent distillation column configurations

A systematic procedure presented in this paper draws distillation column configurations to separate an ideal to near ideal n-component mixture into n product streams with each enriched in one of the components. The method synthesizes all feasible basic configurations using n-1 distillation columns with each column having only a condenser at the top and a reboiler at the bottom. It also generates all feasible thermally coupled schemes with classical two-way liquid and vapor communication between the distillation columns. The method is simple and easy to use. The advantage of such a method is that it could be incorporated in a search algorithm to systematically find an optimum distillation scheme for a given application.
Drying of Diced Carrot in a Combined Microwave–Fluidized Bed Dryer

Abstract Drying of diced carrot (∼90% wet basis) was carried out in a laboratory microwave fluidized-bed dryer (MFB) and in a standard fluidized-bed dryer (FB). It was found that the drying time in the MFB dryer is 2–5 times shorter than in the FB dryer. Drying efficiency (DE) is a function of moisture content, microwave power and temperature of drying agent. Higher values of DE are obtained for MFB dryer. For both drying systems the water removal was proceeding in two-stage falling rate period (except short initial term).
Nanocrystals as Stoichiometric Reagents with Unique Surface Chemistry

Nanocrystals of MgO and CaO have been prepared by a modified aerogel/hypercritical drying/dehydration method. For nanocrystalline MgO (AP-MgO) surface areas ranged from 250 to 500 m2/g, whereas for AP-CaO 100−160 m2/g. These materials have been compared with more conventional (CP) microcrystalline samples of lower surface area with regard to (1) morphology (AP-samples (autoclave preparation) are tiny polyhedral crystallites, while CP-samples (conventional preparation) are larger, hexagonal platelets and cubes); (2) residual surface OH (AP-samples have less acidic OH, which are more isolated from each other; (3) acid gas adsorption (AP-samples adsorb more SO2 and CO2 at low pressures and room temperature and prefer monodentate rather than bidentate adsorption modes, but at higher pressures CP-samples adsorb more SO2 and HCl apparently due to the formation of more well ordered multilayers); (4) destructive adsorption of organophosphorus compounds and chlorocarbons (AP-samples are superior due to higher surf.
Electronic structure and phase stability of A15 transition metals and alloys

The authors study the electronic structure and the stability of A15 transition metals and alloys at 0K, using a tight-binding approximation and the recursion method. The band contribution to the energy is shown to favour the A15 structure for pure metals when the number of d electrons is about four. This is in agreement with some experimental observations concerning W, Nb, and Cr. Then the energy of formation and the ordering energy of A15 compounds are calculated. They are shown to be quite similar to those of other comparable ordered structures such as the Cu3Au (L12) structure. The relative stability of the A15 and L12 structures is studied in some detail. A15 and L12 are found to be stable for small and large values of the mean number of d electrons respectively, as is observed experimentally. Finally a general theoretical structural map is presented which accounts for many observed A3B transition compounds.
A similarity score of protein three dimensional structures by hard ball model using a genetic algorithm

If the structures of proteins are modeled by hard balls representing each α -carbon atom; the maximum overlapped volume of those balls provides a measure of the degree of similarity between a pair of proteins. This paper describes the use of a genetic algorithm (GA) to calculate such similarity measures, with experiments being carried out that matched individual protein structures both against themselves and against other proteins. These experiments demonstrated that the best results were obtained by parameterising the GA as follows: using an exponential distance measure with a coefficient value of -0.1 as the fitness function in a steady-state GA with 100 chromosomes, a selection pressure of 1.5 and a crossover probability of 40%. The resulting similarities are highly correlated with those resulting from the allover method for calculating inter-protein similarities.
Improvement of surface and interface roughness estimation on X-ray reflectivity

In the conventional X-ray reflectivity (XRR) analysis, the reflectivity is calculated based on the Parratt formalism, incorporating the effect of the interface roughness according to Nevot and Croce. However, the results of calculations of the XRR have shown strange outcomes, where interference effects increase at a rough surface because of a lack of consideration of diffuse scattering within the Parratt formalism. Therefore, we have developed a new improved formalism in which the effects of the surface and interface roughness are included correctly. In this study, for deriving a more accurate formalism of XRR, we tried to compare the measurements of surface roughness of the same sample by atomic force microscopy (AFM) and XRR. It is found that the AFM result could not be completely reproduced even with the improved XRR formalism. By careful study of the AFM results, we determined the need for an additional effective roughness term within the XRR simulation that depends on the angle of incidence of the beam.
Improvement in phloroglucinol compound extracted from different parts of Eugenia umbelliflora monitored by LC-UV and antimicrobial activity

Abstract The phloroglucinol eugenial C, eugenial D and eugenial E are the main active compounds in Eugenia umbelliflora fruits. This study aims to evaluate the extraction conditions of E. umbelliflora, using ethanol as solvent, focusing on the phloroglucinol and antimicrobial activity. In order to optimize the extraction conditions, ethanol 50, 70 and 90 oGL was used as a solvent in the proportions of 1:20 (w/v) of drug:solvent ratio (D:S), stirring (330 rpm) at room temperature during 4 h, monitored by LC-UV and antimicrobial assay. The LC-UV method developed was linear over a concentration range of 3.4–68.0, 5.3–106.0 and 5.0–100.8 μg. mL−1 of eugenial C, eugenial D and eugenial E, having LOQ of 1.68, 1.33 and 0.8 μg. mL−1, respectively. The fruits showed the best herbal raw material and showed the highest phloroglucinol concentration and activity against S. aureus, when extracted with ethanol 90oGL, during 4 h, at 1:20 of D:S. Graphical Abstract
Recovery of 3D footwear impressions using a range of different techniques

Three‐dimensional (plastic) footwear impressions are frequently found at, or in the vicinity of a crime scene, and may provide a valuable form of evidence or intelligence. This paper compares the traditional methods of casting and/or two‐dimensional photography with Structure from Motion (SfM) photogrammetry. We focus both on the recovery of class characteristics (sole pattern) and randomly acquired characteristics caused by damage. We examine how different recovery techniques influence visualization of outsole features and discuss what effect this may have on evidential value. Five shoes and their associated three‐dimensional impressions made in both sand and soil were compared using a grid system and tread descriptors commonly used in the UK. We conclude that within the limitations of this study SfM photogrammetry allows superior levels of visualization of both class and randomly acquired characteristics, giving a better definition in detail in some instances. The use of SfM as a complementary approach can therefore lead to a potential increase in evidential value.
Assessment of Proteolysis by Pyrylium and Other Fluorogenic Reagents

Aims We aim to evaluate the potential application of amine reactive fluorogenic reagents for estimating enzymatic proteolysis. Background Proteolytic enzymes play important roles in regulating many physiological processes in living organisms. Objectives Assessment of protein degradation by using reagents for protein assay techniques. Methods We have assayed samples at the start and after 30-60 minutes incubation with trypsin by Chromeo P503 (Py 1 pyrylium compound) and CBQCA (3-(4-carboxybenzoyl) quinoline-2-carboxaldehyde) as amine reactive reagents and NanoOrange as non-amine reactive dye. Results All BSA prepared samples with trypsin have shown significantly higher fluorescence intensity (FI) versus controls (which reflects proteolysis) when assayed by Chromeo P503 (Py 1 pyrylium compound) and CBQCA (3-(4-carboxybenzoyl) quinoline-2-carboxaldehyde) as amine reactive reagents. However, same samples assayed with NanoOrange as non-amine reactive reagent did not show any significant variation between samples containing trypsin and controls. Conclusion These results are confirming reliability of highly sensitive protein assays utilizing amine reactive fluorogenic reagents for general estimation of proteolysis.
Extraction Equilibrium and Membrane Transport of Copper(II) with New N-6-(t-Dodecylamido)-2-Pyridinecarboxylic Acid in Polymer Inclusion Membrane

A plasticized cellulose triacetate (CTA) membrane consisting of N-6-(t-dodecylamido)-2-pyridine carboxylic acid (t-DAPA) as a new carrier to facilitate membrane transport of copper(II) has been prepared to develop the selective recovery system for copper(II) from other divalent metal ions. First of all, the solid (CTA)−liquid extraction equilibrium of copper(II) was examined to obtain information concerning Cu(II)-t-DAPA complex stoichiometry and its extraction constant in the CTA membrane. Membrane transport studies were performed in a two-compartment cell. The CTA−t-DAPA membrane exhibited uphill transport of copper(II) against the concentration gradient. The influences of the aqueous and membrane components on the permeability of copper(II) were studied to elucidate its transport mechanism. Their results suggest that the transport mechanism consists of a diffusion process through an aqueous diffusion film, a fast interfacial chemical reaction, and diffusion through the membrane itself. The mass-transfe.