Miracle-dz/UniFAR-FTUs huggingface dataset:
Electroless synthesis of platinum and platinum–ruthenium nanotubes and their application in methanol oxidation

A dependable and mild deposition procedure for the first electroless synthesis of platinum nanotubes in ion track etched polycarbonate was developed. It utilizes ethylenediamine to adjust the reactivity of Pt(IV) towards reduction and allows the controlled deposition of nanoscale platinum films, wires and tubes at room temperature. Single crystal structure determination proves the formation of Pt(II) as a side product next to elemental platinum. Highly polycrystalline nanostructures of 100 to 900 nm diameter and up to 30 μm length were obtained and characterized by TEM, SEM, EDS and XRD. The platinum nanotubes showed high activity in the electrooxidation of methanol in acidic environment. To illustrate the possibilities for synthesizing bimetallic nanotubes in the presented system, ruthenium was introduced by electroless and spontaneous deposition methods. The corresponding surface-normalized current densities are strongly dependent on the preparation method and can surpass commercial fuel cell catalysts, confirming the efficiency and flexibility of electroless metal plating in the preparation of nanomaterials.
Effect of autohydrolysis of Eucalyptus globulus wood on lignin structure. Part 1: Comparison of different lignin fractions formed during water prehydrolysis

Abstract The effect of autohydrolysis of Eucalyptus globulus wood was studied with regard to conditions applied in a prehydrolysis-kraft process on the physico-chemical properties of lignin obtained in both the wood residue and hydrolysate. As a reference, milled wood lignin (MWL) was isolated from native wood and compared to three lignin fractions formed during prehydrolysis: 1) lignin from the wood residue isolated as MWL, 2) lignin precipitated from the prehydrolysate during cooling and separated by centrifugation, and 3) lignin degradation products soluble in the prehydrolysate extracted with ethylacetate. All lignin fractions were subjected to Fourier transform infrared (FTIR) spectroscopy, methoxy group determination, elemental analysis, size exclusion chromatography and quantitative nuclear magnetic resonance (NMR) spectroscopy. The results indicate that extensive lignin degradation occurs during prehydrolysis through homolytic cleavage of the aryl-ether bonds resulting in a substantial molecular weight loss of the residual lignin in the treated wood and in the lignin fractions isolated from the prehydrolysate. The aryl-ether cleavage is coupled with a strong increase in phenolic hydroxyl groups and a decrease in aliphatic hydroxyl groups. Indication for condensation reactions were found by NMR spectroscopy.
Effects of Oxidation by Hydrogen Peroxide on the Structures of Multiwalled Carbon Nanotubes

We studied the effects of H2O2 oxidation without metal catalysts and under neutral conditions on morphologies and structures of the multiwalled carbon nanotubes (MWNTs). The formation of surface functional groups and changes in nanotube structures, morphology, and thermal stability during oxidation were analysized by X-ray photoelectron spectroscopy, X-ray diffraction, Raman spectra, high-resolution transmission electron microscopy, and thermogravimetric analysis. Several functional groups such as carboxylic (−COOH), carbonyl (−CO), and hydroxyl (−OH) groups were formed on the surface of MWNTs; however, hydroxyl groups were preferentially formed and reached a maximum atomic concentration of about 46% in 4 days of oxidation. The graphitization degree decreased in the first day of oxidation; however, it readily increased in the continued oxidation days.
The Transient Oxidation of Fe‐Cr and Ni‐Cr Alloys

The early stages of oxidation of Fe‐Cr and Ni‐Cr alloys, containing respectively nominally 5, 10, 15, and 30 a/o Cr, in 1 atm oxygen at 600°C have been studied by transmission electron microscopy of stripped films and by electron diffraction. Substantial amounts of iron and nickel oxides, respectively, are produced on all alloys before steady‐state, healing, chromium‐containing oxide layers are developed. This occurs more rapidly and more completely as the alloy chromium content is increased. For dilute Fe‐Cr and very dilute Ni‐Cr alloys, grain and subgrain boundaries and other substructural defects of the alloy are covered by thicker oxide. This is due either to their efficiency as cation vacancy sinks or to more local diffusional paths in the oxide above them. Conversely, for alloys richer in chromium (up to 30%), healing is most rapid in these locations due to rapid chromium diffusion to the alloy/oxide interface, leading to thin oxide above the defects. The tendency of rapidly growing iron oxides to overgrow the chromium‐containing oxides, and also to undermine them by encroaching on the alloy, is countered by the rapid development of a general healing layer of for the dilute Fe‐Cr alloys and for the concentrated alloys. probably does not form a healing layer for dilute Ni‐Cr alloys and the completion of a healing layer is slower than for Fe‐Cr alloys. This is largely due to the lower alloy interdiffusion coefficient. However, the slow growth of limits overgrowth and scale encroachment. healing is eventually approached by dense internal oxide formation, resulting partly from the relatively high solubility of oxygen in Ni‐Cr alloys.
Biomediated AgNPS from Some Ethnobotanical Weeds—Pyllanthus amarus

ABSTRACT Biomolecules found in plants such as enzymes/proteins, amino acids, polysaccharides, and vitamins induce formation of nanoparticles. In this study, plant broth of Phyllanthus amarus containing a number of secondary metabolites was selected for the formation of silver nanoparticles (AgNPs) at room temperature. The UV-visible spectrum of the aqueous medium containing silver ions demonstrated a peak at 425,356 nm corresponding to the plasmon absorbance of silver nanoparticles. High-resolution transmission electron microscopy (HRTEM) showed the formation of well-dispersed silver nanoparticles in the range of 10–20 nm. The X-ray diffraction (XRD) spectrum of the AgNPS exhibited 2θ values corresponding to the silver nanocrystal.
Effects of chirality and diameter of single-walled carbon nanotubes on their structural stability and solubility parameters

The chirality and diameter are found to simultaneously affect the solubility of SWCNTs. The solubility parameter of armchair SWCNTs is greater than that of zigzag SWCNTs, for a given diameter and length, except for very small diameters. The lower structural stability of the armchair SWCNTs leads to smaller molar volumes. Thus, the chirality of SWCNTs alters the structural stability and consequently the solubility parameter of the SWCNTs.
Design, synthesis, and cytotoxic activity evaluation of new linear pyranoxanthone aminoderivatives

The hydrochlorides of the compounds (IV), the free amines (VIII) and (XIIIa), and the difumarate of the compound (XIIIb) are screened for their in vitro cytotoxicity against the murine leukemia L1210 cell line, human colorectal adenocarcinoma (HT-29), and human uterine sarcoma (MES-SA and the multidrug resistant variant MES-SA/Dx5) cell lines in comparison to the reference drugs mitoxantrone and doxorubicin.
Green and Catalytic Synthesis of Dominicalure I, Major Component of the Aggregation Pheromone of Rhyzopertha dominica (Fabricius) (Coleoptera: Bostrichidae)

Abstract A new concise and efficient catalytic synthesis of dominicalure I, the male-produced aggregation pheromone of the grain borer Rhyzopertha dominica, is herein reported. The synthetic route was designed starting from easily available propanal through an organocatalytic key step and completed with biocatalytic procedures. GRAPHICAL ABSTRACT
Reductive cleavage of acetals and ketals with 9-borabicyclo[3.3.1]nonane

The reductive cleavage of benzaldehyde acetals and acetophenone ketals with the air-stable crystalline 9-borabicyclo[3.3. 1]nonane dimer provides monobenzylated ether derivatives of diols and 1,2-oxygen-transposed β-phenethyl alcohols, respectively. The boron moiety is effectively recovered through simple procedures which involve convenient air-stable reagents and boron byproducts. The process is particularly selective for 1,3-diols giving the more substituted monobenzyl ether derivatives exclusively. With acetophenone ketals both reduction and elimination occur, permitting 9-BBN-H to hydroborate the resulting styrene to produce 1,2-oxygen-transposed β-phenethyl alcohols cleanly. Potential applications of this new process were illustrated with the synthesis of the hallucinogen, mescaline, and the analgesic, ibufenac.
Evaluating the Toxicity of Airborne Particulate Matter and Nanoparticles by Measuring Oxidative Stress Potential—A Workshop Report and Consensus Statement

Background: There is a strong need for laboratory in vitro test systems for the toxicity of airborne particulate matter and nanoparticles. The measurement of oxidative stress potential offers a promising way forward. Objectives:Aworkshop was convened involving leading workers from the field in order to review the available test methods and to generate a Consensus Statement. Discussions: Workshop participants summarised their own research activities as well as discussion the relative merits of different test methods. Conclusions: In vitro test methods have an important role to play in the screening of toxicity in airborne particulate matter and nanoparticles. In vitro cell challenges were preferable to in vitro acellular systems but both have a potential major role to play and offer large cost advantages relative to human or animal inhalation studies and animal in vivo installation experiments. There remains a need to compare tests one with another on standardised samples and also to establish a correlation with the results of population-based epidemiology.
Recent Developments in Shaped Charge Technology

Shaped-charge principles, including analytical work, computer-code simulations, and experimental results, are reviewed. It is assumed that the reader has a basic understanding of the functioning of shaped charges, and emphasizes developments in recent years. The survey is divided into four sections: Liner Collapse, Jet Formation, Jet Breakup, and Target Penetration. Only traditional shaped charges are covered; kinetic-energy penetrators and self-forging-fragment warheads are not included. Ninety-nine references are cited.
Donor-Acceptor-Assisted Diels-Alder Reaction of Anthracene and Tetracyanoethylene

We report hybrid Hartree−Fock/density functional B3LYP/6-31G(d) and B3LYP/6-31+G(d,p) calculations to determine the path of the Diels−Alder reaction between anthracene and tetracyanoethylene (TCNE) and to characterize the stationary points along the path. With only one exception, calculated bond distances in anthracene, TCNE, and TCNE•- (the limiting case of complete electron donation to TCNE) are within 3 standard deviations of experiment. We also predict the geometry of anthracene•+. Calculations to determine the reaction path establish unambiguously that the observed electron donor−acceptor complex is an intermediate and that donor−acceptor interactions assist attainment of the reaction's transition state by lowering the energy barrier to pyramidalizing about C9/C10 of anthracene and the ethylenic carbons of TCNE. Combined with thermodynamic integration calculations in chloroform solvent, B3LYP calculations of the activation energy (20.1 kcal/mol) agree quantitatively with the experimentally derived ac.
Studies on a mixed bacterial culture from soil which degrades the herbicide linuron

A stable mixed bacterial culture which degrades the herbicide linuron was isolated from soil by enrichment with linuron in a liquid mineral medium. Radio-respirometry studies showed that the culture mineralised linuron completely. No intermediate degradation products were detected in the medium. The culture was able to utilise linuron as a source of both nitrogen and carbon and was also able to degrade the related herbicides monolinuron and chlorbromuron and the possible intermediate degradation products of linuron: 3,4-dichlorophenyl-l-methylurea, 3,4-dichlorophenylurea and 3,4-dichloroaniline. The culture was unable to degrade the 1,1-dimethyl substituted ureas monuron, diuron or metoxuron. The culture contained Gram-negative aerobic rods, and Gram-positive aerobic non-spore-forming rods and cocco-bacilli. Of 124 isolates from the mixed culture, none degraded linuron in pure culture, indicating that a consortium of organisms is involved. Further investigation suggested that Pseudomonas spp. were important components of the population responsible for degradation.
Photoluminescence study on the effects of the surface of CdTe by surface passivation

The etching effects on the CdTe surface treated by the different chemical etchants, such as 2% Br-methanol (BM) and 2% Br-20% latic acid in ethylene glycol (BLE) solutions are studied by both photoluminescence (PL) and atomic force microscopy. After etching, the dielectric materials ZnS and CdZnTe are used for the passivation of the CdTe surface. The PL studies of the CdTe surfaces passivated by the dielectrics are carried out, and the results are correlated with the value of the lifetime of the CdTe. The results show that the etching of CdTe surface by BLE solution yields the better surface condition for CdTe. The surface trap states of CdTe are reduced by the CdZnTe and ZnS passivant which results in the increase in the surface lifetime of CdTe.
Temperature dependence of breakdown voltage in silicon abrupt p-n junctions

Temperature dependence of breakdown voltage in silicon abrupt p+-n junctions has been calculated using a modified Baraff theory [1]-[3] and measured experimentally from 77°K to 500°K, with substrate doping from 1015cm-3to 1018cm-3. Experimental data are in good agreement with the results of theoretical calculations. These results strongly substantiate the validity of the modified Baraff theory which has been pointed out by Sze and Crowell.
Dynamic density and structure factors for rigid molecules with large librations

For rigid molecules which undergo large librations, the dynamic density and the dynamic molecular scattering factor are derived. The general case is treated where translations and librations of the molecule are coupled (no site symmetry). The dynamic molecular scattering factor is an integral which cannot generally be solved, and temperature factors generally do not appear. For the special case of statistically independent translations and librations, a temperature factor for the translations of the molecule is obtained. Moreover, temperature factors are obtained for density units which are spherically symmetric, since the motions of these density units can be described by translations only. The possible cases for which spherically symmetric density units can be assumed and, hence, temperature factors can be applied, are discussed.
Influence of night humidity on the distribution of calcium and sap flow in tomato plants

Abstract Dry or humid night conditions were imposed to determine the distribution of calcium (Ca) and sap flow in tomato (Lycopersicon esculentum Mill.) plants. Radioisotopic 45Ca was fed to assess the Ca distribution in a tomato plant treated with different night humidities on different branches. The amount of sap transported from root to shoot was measured by a heat‐balance sap‐flow gauge. More than 95% of the sap was transported to the shoots during the daytime for 12 hours, while only negligible amount were transported at night. High nigh‐time humidity considerably enhanced sap flow during the night due presumably to generated root pressure. However, high night‐time humidity reduced the distribution of 45Ca compared to low night‐time humidity imposed in tomato branches.
Models of the gas-grain interaction. Deuterium chemistry.

Les modeles chimiques developpes anterieurement pour un nuage quiescent dense, incluant l'accretion et un noyau moleculaire chaud sont etendus pour inclure la chimie du deuterium, a la fois dans la phase gazeuse et sur la surface des grains de poussiere
Investigation of difference of Gwakhyangjeonggi-san decoctions produced by different pressure levels and various extraction times

ABSTRACT Objectives : Gwakhyangjeonggi-san (GJS) which consists of 13 herbal medicines has been used to treat gastrointestinal disorders caused by common cold. This study was performed to compare GJS decoctions produced using different pressure levels for various extraction times. Methods : Decoctions were prepared by the pressure levels of 0 kgf/cm 2 (non-pressurized) or 1 kgf/cm 2 (pressurized) for 30–180 min. The extraction yield, total soluble solid content (TSSC), and hydrogen ion concentration (pH) were measured, and the contents of the nine marker compounds were determined using high performance liquid chromatography. Results : The higher pressure and longer extraction time significantly increased TSSC value, while decreased the pH value. However, only extraction time affected the extraction yield of pressurized decoction. Variation of the amounts of chemical compounds was shown in pressurized and non-pressurized decoctions during extraction time. The result of regression analysis showed that pressure and extraction time can influence
Doubly Temperature Sensitive Core−Shell Microgels

We report on synthesis and characterization of doubly temperature sensitive core−shell microgels. These core−shell microgels are composed of a core of chemically cross-linked poly(N-isopropylacrylamide) (PNIPAM) and a shell of cross-linked poly(N-isopropylmethacrylamide) (PNIPMAM). PNIPAM exhibits in water a lower critical solution temperature (LCST) of ca. 34 °C, and the LCST of PNIPMAM is ca. 45 °C. Solution properties were investigated by means of dynamic light scattering (DLS), optical transmission, differential scanning calorimetry (DSC), and small-angle neutron scattering (SANS). Core−shell microgels of this composition display a temperature-dependent two-step shrinking behavior. The influences of the content of the cross-linking agent N,N‘-methylenbis(acrylamide) (BIS) and of the thickness of the PNIPMAM shell on the thermosensitive response of the PNIPAM/PNIPMAM core−shell microgels were investigated. Core−shell microgels with a thick shell do not show a size transition at the PNIPAM LCST anymore.
Speckle-field simulator characterization

We desire to simulate in the laboratory the speckle fields that would be produced by laser light scattered off of rough surfaces. We are investigating the ability of liquid crystal spatial light modulators to simulate under electronic control the statistical properties of speckle fields. Characteristics of the liquid crystal spatial light modulator, including temporal response, spatial correlation, and discreteness in phase modulation will affect the ability to accurately simulate arbitrary speckle fields. In the work reported here we describe that status of characterization of two types of liquid crystal modulators. The method for accomplishing this characterization is described.
Zinc Sulfide Prepared Through Zno Sulfuration: Characterization and Photocatalytic Activity

P-nitrophenol (PNP) is a toxic organic pollutant and it is difficult to remove from wastewater by means of conventional treatment processes. Therefore, effective and low cost alternative water treatment technologies are required. In the last years there has been a growing interest in advanced oxidation processes involving semiconductor mediated photocatalysis because the process mineralizes many toxic organic pollutants to carbon dioxide and water at ambient temperature under UV light.The aim of this work is to synthetize ZnS photocatalyst starting from formerly ZnO prepared with different precursors such as zinc sulphate and zinc nitrate by means of precipitation method. ZnS was then obtained by sulfuration of ZnO particles. The sulfuration step was carried out at 450°C in presence of N2 gaseous stream containing H2S at 5 vol%. The prepared photocatalysts were characterized from chemical-physical point of view using different techniques (XRD, BET, UV-vis DRS, Raman). The photocatalytic tests were carried out in a recirculating batch cylindrical photoreactor irradiated by a UV-LEDs strip (nominal power of 12W/m and wavelength emission peak at about 365 nm) surrounding the external surface of the reactor. The experimental results evidenced that the optimal sample is ZnS obtained from the sulphuration of ZnO synthetized by zinc sulphate. In particular, this sample was able to achieve about 51% PNP degradation after 240 min of UV light irradiation.
Investigating the reaction path and growth kinetics in CuOx/Al multilayer foils

CuOx/Al exothermic reactions in multilayer foils were studied to identify reaction paths and reaction kinetics. Heating samples at a slow, controlled rate in a differential thermal analyzer showed that the reduction of CuOx and the oxidation of Al proceeded via two separate exotherms. To analyze this reaction pathway, samples were heated to various temperatures within these exotherms, quenched, and characterized with x-ray diffraction, Auger depth profiling, and transmission electron microscopy. Experimental evidence indicates that in the first reaction, CuOx is reduced to a mixture of CuO and Cu2O and an interfacial layer of Al2O3 grows to coalescence; the final products of the second exotherm are Cu, Al2O3, and Cu2O. The first exotherm was believed to be controlled by the two-dimensional, interface-limited growth of the Al2O3 layer, while the second exotherm was believed to be controlled by both the diffusion-limited one-dimensional growth of the Al2O3 and the interface-controlled growth of the Cu due t.
Crystal structure of N-(2-methyl-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol- 2-yl)propyl)benzamide, C13H15N3O2S

C13H15N3O2S, monoclinic, P21 (no. 4), a = 9.051(1) Å, b = 9.585(1) Å, c = 9.153(1) Å, ' = 114.466(1)°, V = 722.8 Å, Z = 2, Rgt(F) = 0.040, wRref(F) = 0.050, T = 298 K. Source of material To a stirred solution of L-valine methyl ester hydrochloride (0.03 mol) in CH2Cl2 (20 ml) was added triethylamine (0.06 mol) at 273 K. After 0.5 h, a solution of benzoic acid chloride (0.03 mol) in CH2Cl2 (10 ml) was added. The mixture was stirred for 2 h at 273 K, then allowed to warm to r.t. for 24 h. After washing with 10 % HCl, 1 N NaOH, water and saturated brine, the organic layer was evaporated in vacuo and the residue was recrystallized from methanol to give corresponding amide as a white solid. A mixture of the amide (0.02 mol) and 80 % hydrazine monohydrate (0.04 mol) in absolute methanol (20 ml) was heated under reflux over night. After cooling, a white solid was separated and recrystallized from ethanol to give corresponding hydrazide [1]. A mixture of the hydrazide (0.01 mol), KOH (0.01 mol), CS2 (0.05 mol), and ethanol (70 ml) was heated under reflux with stirring for 12 h. Ethanol was distilled off under reduced pressure, the residue was dissolved in water and then acidified with 1 N HCl to pH 2 3. The solid obtained was filtered, washed with water, and recrystallized from 60 % aqueous ethanol [2]. Colourless needle-shaped single crystals of the title compound suitable for X-ray diffraction analysis were obtained by slow evaporation of the mixed solvent ethanol/water (3:1, v/v) at room temperature for ten days (m.p. 146 147 °C). Experimental details All H atoms attached to C were positioned geometrically and treated as riding with (dC—H) = 0.96 Å (methyl) or 0.93 Å (aromatic) with Uiso(H) = 1.2 Ueq(aromatic) or Uiso(H) = 1.5 Ueq(methyl).
Plasmonic solar water splitting

The study of the optoelectronic effects of plasmonic metal nanoparticles on semiconductors has led to compelling evidence for plasmon-enhanced water splitting. We review the relevant physics, device geometries, and research progress in this area. We focus on localized surface plasmons and their effects on semiconductors, particularly in terms of energy transfer, scattering, and hot electron transfer.