Miracle-dz/UniFAR-FTUs huggingface dataset:
ANOMALOUS DUAL FLUORESCENCE OF BENZANILIDE

The absorption and fluorescence spectra of benzanilide and N-methylbenzanilide have been investigated in solution and low-temperature glasses and assigned with the aid of ZINDO calculations. The anomalous dual fluorescence observed by previous workers has been assigned to the two lowest singlet states of benzanilide. The lower energy n,π* state is populated by excitation in the long-wavelength tail of the absorption band. Its fluorescence is readily detected in low-temperature glasses and at room temperature in aromatic solvents. Large NMR solvent-induced shifts provide evidence for ground-state complex formation of benzanilide with aromatic solvents. The higher energy π,π* state is populated by excitation of an allowed transition. It undergoes twisting about the amide C−N bond to form a fluorescent twisted intramolecular charge-transfer state with a maximum of 520 nm in benzene solution. In rigid glasses twisting to form the twisted charge-transfer state cannot occur, and the π,π* state undergoes interna.
Optimization of a Microwave-assisted Extraction Method for Phenol and Methylphenol Isomers in Soil Samples Using a Central Composite Design

A simple and rapid microwave-assisted extraction (MAE) procedure was developed and optimized for phenol, o-cresol, m-cresol and p-cresol in soil samples. The spiked soil used was prepared 25 d before treatment to simulate weathering processes and to allow for the formation of analyte-matrix interactions. The samples, immersed in hexane–acetone, were irradiated with microwaves in a closed-vessel system. Optimization of the method was achieved by using a factorial design approach on parameters such as the volume of solvent, the percentage of acetone and the extraction temperature. The MAE procedure yielded extracts that could be analyzed directly using a GC–flame ionization detection system without any preliminary clean-up or concentration steps.
Improved silica–titania catalysts by chitin biotemplating

Silica–titania materials with improved catalytic performance were elaborated as mesoporous microparticles by combining sol–gel and spray-drying processes with the self-assembly properties of α-chitin nanorods acting as biotemplates. Three different synthesis approaches are discussed, leading to materials with varied textural and chemical characteristics studied by SEM, N2 volumetry, TEM, XPS and DR-UV techniques. The use of water or ethanol as initial solvent for chitin nanorod suspensions, as well as the mixing conditions of the precursors, has been shown to have a significant impact on the final properties. Materials of specific surface areas of up to 590 m2 g−1 and porous volumes of up to 0.84 mL g−1, with low surface Si/Ti ratio, could be disclosed. Properties were further investigated by employing the silica–titania materials as heterogeneous catalysts for the sulfoxidation of bulky model compounds. The location of Ti active sites at the pore surface has been maximized and allows for improved productivity.
Effects of Cluster Thinning and Preflowering Leaf Removal on Growth and Grape Composition in cv. Sangiovese

Crop-regulation techniques applied as preflowering defoliation (D), early cluster thinning at preflowering (ECT), and cluster thinning at lag-phase of berry growth (LCT) were tested over three seasons on high-yielding Vitis vinifera L. Sangiovese and compared to non-defoliated, unthinned control vines. Treatment severity consisted of removing primary leaves and any laterals developed from nodes 1 to 6 in D and of thinning 50% of clusters chosen from among distal clusters or those inserted on weak shoots in ECT and LCT plots. Although yield per vine was not as reduced in D (−32%) as in ECT and LCT treatments (−45%) as compared to the control, D vines also had largely improved sugar and total anthocyanin concentrations and the highest total phenolics. Yield components were also markedly affected by treatments: D vines had smaller clusters and berries, leading to improved cluster looseness and to higher relative skin and seed growth. While all crop-regulating treatments led to an increase in the final leaf-to-fruit ratio, parameters of technological maturity were essentially uncoupled, as equally high Brix levels corresponded to the highest titratable acidity in D and, conversely, to lowest titratable acidity and highest pH in ECT and LCT. Overall results showed that different final yield-grape composition patterns can be reached depending on the technique used for crop regulation as a primary consequence of a diversified degree of compensation triggered on single-yield components.
Density Functional Study of Interaction of Atomic Pt with Pristine and Stone−Wales-Defective Single-Walled Boron Nitride Nanotubes

Interactions between atomic Pt and pristine or Stone−Wales-defective (5,5) single-walled boron nitride nanotubes (BNNTs) were studied using density functional theory (DFT) with truncated nanotube models. The binding energy of Pt on a pristine BNNT is about 20 kcal/mol with little dependency on the binding site. On the other hand, when the Stone−Wales (SW) defect is presented, the atomic Pt is preferentially inserted between the B−B bond in the SW defect region with a large binding energy of 58 kcal/mol. On an SW-defective BNNT, the atomic Pt, even placed away from the defect site, may eventually (thermodynamically) move toward the defect area until being trapped between the B−B bond, and the final adduct has decreased reactivity toward both electrophiles and nucleophiles compared with Pt adsorption to pristine BNNTs. Pt adsorption on pure or SW-defective BNNTs makes the hosting nanotube wide-gap semiconductive by introducing the valence states of the absorbed Pt into the band gap of the nanotube. In compa.
The preparation and coordination chemistry of phosphorus(III) derivatives of dialkyl hydrazines

The formation of the new inorganic hydrazine based ligands R2PNR′NR′PR2 [R′ = Et, R = Cl, Ph, OPh, CH2Ph, o-MeOC6H4: R′ = Me, R = o-MeC6H4, o-MeOC6H4] is reported. These ligands have been complexed at Pd(II) and Pt(II) centres and demonstrative X-ray structures have been determined. When R = o-MeOC6H4 the oxygen atoms of two of the OMe groups coordinate pseudo axially.
Wind Tunnel Experiments of Large Particle Reentrainment-Deposition and Development of Large Particle Scaling Parameters

Reentrainment-deposition characteristics of lycopodium spores, timothy pollen, glass microballoons, glass spheres, and nickel spheres were examined in a series of wind tunnel experiments. Particle diameter varied from 18 to 34 (μm, and particle density varied from 1.0 to 8.9 g cm−3. Adhesion force distribution of each particle type was determined using the centrifuge method, and the force required to remove 50% of the particles had a range of more than an order of magnitude with lycopodium requiring the smallest force and glass spheres requiring the largest. The mean flow speed required to reentrain 50% of each particle type had a range of more than a factor of two with the same ordering from smallest speed to largest as found for adhesion force with the exception of nickel spheres, which required the second largest wind speed and the second smallest adhesion force for 50% removal. Threshold reentrainment flow speed, and distance traveled in a single reentrainment-deposition cycle were also examined for e.
POLY(ETHYLENE CO-VINYL ACETATE)-ASSISTED ONE-STEP TRANSFER OF ULTRA-LARGE GRAPHENE

One-step roll-to-roll lamination transfer of graphene was achieved by poly(ethylene co-vinyl acetate) as a binding material which has thermoplastic property and wide rubbery-plateau region between Tg~Tm. The transferred graphene film has a transmittance of 96.7% at 550 nm and 1.96 kΩ/sq of sheet resistance measured by simple 4-probe method. Standard deviation was found to be 0.198 kΩ/sq.
Adaptation in Viticulture: A Case Study of Producers in the Maule Region of Chile

Climate change may pose challenges as well as opportunities for viticulture, and much research has been devoted to assessing the impacts of climate change on quality wine grape production, focusing primarily on the capability of current wine-producing areas to ripen wine grapes under future increases in temperatures. This paper considers the human dimensions of the climate change and viticulture issue and assesses the vulnerability of grape and wine producers to climate change in the context of other stresses via a case study in the Maule Region of Chile. Through interviews, producers revealed that their key sensitivity is income, which is influenced by a variety of factors, including climate and weather, market and currency fluctuations, institutional arrangements and labour availability. Producers make adjustments in order to maintain profitability, with market forces being one of the most important drivers of their decision-making. Climate change does not appear to be a priority in the region, although some adaptation strategies may be beneficial given the projected changes in climate. The ability of producers to adapt to a changing climate is constrained by social, economic and political circumstances, including economic capital, education, institutional arrangements and organizational abilities. These circumstances need to be addressed in order for producers to effectively adapt in the future.
Direct Enantiomeric Resolution of (±)-Bupropion Using Chiral Liquid Chromatography

Direct resolution of enantiomers of (±)-bupropion (BUP) was achieved by thin-layer chromatography on silica gel plates impregnated with optically pure l-Glu as chiral selector. The solvent system acetonitrile-methanol-dichloromethane-water (5.6:1:2.2:1, v / v) was successful in resolving the enantiomers. Spots were detected by use of iodine vapor. The detection limit was 0.2 µg for each enantiomer of BUP. The effects of concentration of chiral selector, temperature, and pH on enantiomeric resolution were examined. The separation of BUP enantiomers was also investigated by high-performance liquid chromatography (HPLC) on a chlorinated methylated cellulose-based stationary phase. Reversed phase HPLC was successful using binary mixture of aqueous ammonium formate and methanol for separation of enantiomeric pair with detection at 230 nm. The factors influencing HPLC separation were also investigated.
Flow instabilities, energy levels, and structure in stirred tanks

In this study, the spatial distribution and significance of macro instabilities in two cylindrical tanks of different size, and one square tank, stirred with standard six bladed Rushton impellers, are investigated. The instabilities of the flow structure are investigated by searching for significant frequencies using the Lomb algorithm on instantaneous velocity data collected using laser Doppler anemometry at various locations in the tanks. The investigation of the energy levels shows that the harmonics of the blade passage differ in both magnitude and spatial distribution for different tank sizes, geometries, and energy input. Several significant dimensionless frequencies, that is, frequency Strouhal numbers, are detected and identified both in relative magnitude and spatial range. © 2006 American Institute of Chemical Engineers AIChE J, 2006
Methodology for spectrum evaluation in quantitative electron energy‐loss spectrometry using the Zeiss CEM902

The spectral energy‐loss intensities acquired with the Zeiss CEM902 do not follow a Poisson law. The intensities are normally distributed and their variances are non‐uniform. When fitting the inverse power law after logarithmic transformation, it is expected that the power law coefficients and their uncertainties will be biased. Due to the particular dependence of the variance on the intensity which is observed in our experiments, it appears that no bias is introduced when using unweighted least‐squares fitting after log‐log transformation. Because the sample variances are estimated with low degrees of freedom, the residual variance of the fit is proposed as a criterion rather than the X2 test to evaluate the optimum width of the fitting window. The optimal width for the integration window can be determined as the window where the signal‐to‐noise ratio is at a maximum. Critical limits for qualitative and quantitative analysis are proposed which are based on the variance of the net intensity. They can be used to test the analytical significance of the signals.
Co-Metabolic Degradation of Dichloro Diphenyl Trichloroethane by a Defined Microbial Consortium

Persistent organic pollutants such as Dichloro diphenyl trichloroethane (DDT) and related compounds are of particular environmental concern because of their toxicity, high persistence, resistance to degradation and liability to bioaccumulation. In our Laboratory, we have developed a defined microbial consortium capable of degrading DDT. The microbial consortium consisted of ten bacterial isolates of which seven were species of Pseudomonas and other three were species of Flavobacterium, Vibrio and Burkholderia. Out of twelve co-substrates used to study the enhancement in DDT-degradation, yeast extract was found to be the best showing 74% degradation at 0.0174 μg mL-1 day-1 followed by glucose and beef extract (55.98%) at 0.0109 and 0.0111 μg mL-1 day-1, respectively. Glycerol and tryptone soya broth showed inhibitory effects with 14.92 and 10.52% degradation with 0.0023 and 0.0015 μg mL-1 day-1, respectively. Growth was best with glycerol followed by peptone. Growth of the consortium was not found to have profound influence on the degradation of DDT.
Water/Oil Emulsions Prepared by the Membrane Emulsification Method and Their Stability

We developed and tested a simple method to measure dispersed droplet size of W/O emulsions. Then, using a microporous glass membrane treated with oil phase, we produced a W/O emulsion with high water content (40% w/w) at a high emulsification rate by the membrane emulsification method, and assessed its stability. In comparison with emulsions by the stirring methods, variations in dispersed droplet size and viscosity of emulsions by membrane method were small and the emulsions were more stable. Droplet size was not related to the stability of the W/O emulsion prepared by membrane emulsification.
Producing Cr 2 O 3 nanooxide from chromite concentrates

High-purity (99.9+%) nanosize Cr2O3 was produced from chromite concentrates. Sodium dichromate was produced from an alkaline melt of chromite ore and then nanosize Cr2O3 was obtained by reaction between sodium dichromate and sulphur. Nanooxides were investigated by scanning electron microscopy, transmission electron microscopy and X-ray diffraction analysis. The size of particles was 50–148 nm. The nanoparticles show a loosely agglomerated structure. The presented method is simple and economical.
Voltammetric Determination of Proguanil in Malarone and Spiked Urine with a Renewable Silver Amalgam Film Electrode

Electrochemical properties of proguanil were investigated by a voltammetric method (SWV) using a renewable silver amalgam film electrode. The influence of buffer pH as well as potential amplitude, frequency, and step potential was studied. The repeatability, precision and recovery of the developed method were examined. The reduction peak current was used for proguanil voltammetric determination in the range 1×10−7–6×10−6 mol L−1, LOD=2.9×10−8 mol L−1, LOQ=9.7×10−8 mol L−1. The standard addition method was used to determine proguanil in a commercial formulation (Malarone) and in spiked urine.
Etching of Tantalum in Fluorine‐Containing High Density Plasmas

Dry etching of tantalum in fluorine-containing high density plasmas has been studied. Tantalum etching as a function of gas composition of CF 4 /CHF 3 /O 2 mixture and SF 6 /O 2 mixture, inductive power, bias power, and pressure has been examined using the response surface method. The etched Ta surface was also characterized by electron spectroscopy for chemical analysis to understand the etching mechanism. Tantalum was found to be etched faster in the SF 6 discharge because of the abundance of fluorine-containing active species and the absence of fluorocarbon deposition on the surface. For both CF 4 /CHF 3 /O 2 and SF 6 /O 2 mixtures, the etch rate was found to decrease with increasing pressure. The effects of CHF 3 , CF 4 , and O 2 on Ta etching were found to be interactive. The dependence of Ta etching on the gas composition, inductive power, bias power, and pressure is discussed in light of the existing knowledge of plasma etc ing.
An Adsorption-Based Method for the Characterization of Pore Networks Containing Both Mesopores and Macropores

Nitrogen sorption is a commonly used experimental technique for the characterization of solids that are primarily mesoporous. The standard nitrogen adsorption experiment can also detect pores at the lower end of the macropore range, up to perhaps 3000 or 4000 A. However, some solids of industrial importance contain macropores beyond the size range probed by the standard nitrogen adsorption experiment. In this work, a modified experimental method is used to obtain a more complete characterization of the solid. The experiment involves the bulk condensation of nitrogen in the sample tube after completing the adsorption isotherm and before measurement of the desorption isotherm. Modifications to existing pore size distribution and connectivity analyses are proposed to incorporate data from the experimental desorption isotherms. These modified analyses enable an improved estimate for the pore size distribution and a lower bound on the mean coordination number of the pore network to be obtained for these samples.
Cytocompatibility of polyhydroxybutyrate modified by plasma discharge

Properties of pristine and Ar plasma-treated polyhydroxybutyrate (PHB) was studied by different methods as a function of the plasma discharge power and the time from the plasma exposure. Surface polarity was determined by goniometry, surface morphology and roughness was examined by atomic force microscopy, the amount of ablated layer was determined by gravimetry. The chemical structure of the surface was determined by photoelectron spectroscopy. Ablation of the surface layer upon plasma treatment and chemical etching was studied by gravimetry. Cytocompatibility of pristine and modified PHB was studied on mouse embryonic fibroblasts (NIH 3T3). Plasma modification leads to an increase in PHB surface polarity. By aging the surface polarity spontaneously decreases. The amount of ablated layer increases with plasma exposure time and discharge power. The plasma-treated PHB is slightly soluble in water and considerably in methanol. After the plasma treatment the surface morphology and roughness is mildly changed. The plasma treatment improves cell adhesion, proliferation, and spreading homogeneity on the PHB surface. POLYM. ENG. SCI., 54:1231–1238, 2014. © 2013 Society of Plastics Engineers
Einkristallzüchtung und Röntgenstrukturanalyse der Fluoridcarbonate K3CO3F und Rb3CO3F / Crystal Growth and X-Ray Structure Determination of the Fluoride Carbonates K3CO3F and Rb3CO3F

The isostructural title compounds have been characterized by X-ray powder and single crystal diffraction: R 3̅ c; Z = 6; a = 741.81(4), c = 1639.18(9) pm; 389 diffractometer data, R = 0.04, Rw = 0.03 (K3CO3F); α = 776.1(3), c = 1741.2(9) pm; 235 diffractometer data, R = 0.07, R = 0.06 (Rb3CO3F). Both compounds are carbonate fluorides with isolated CO32- and F- anions.
Green chemistry in analytical atomic spectrometry: a review

As a result of the greater consciousness within the analytical community on the impact of chemicals on human health and environment, green issues are increasingly taken into account when choosing an established analytical method or developing a new one. Apart from typical analytical characteristics (e.g., sensitivity, limit of detection, repeatability, etc.), other features such as the amount of sample/reagents, operation time, use of energy-effective apparatus, waste production, etc. should be highlighted in order to meet the principles of Green Chemistry. Although conventional approaches for trace element analysis by atomic spectrometry usually involve well-established sample pre-treatments based on ‘wet chemistry’, and high consumption of gases, reagents, etc. is inherent to many techniques in this group, there are still many avenues where green issues can be implemented. For greening atomic spectrometry, green chemistry principles should be applied to every step of the analytical process, i.e., from sampling and sample pre-treatment to data processing. In this review, main pathways for greening atomic spectrometry such as downsizing of instrumentation, use of portable instruments, solid sampling, application of clean energies (ultrasound, microwaves, etc.) for sample pre-treatment, development of on-site, on-line and at-line approaches vs. typical off-line methods, application of modern extraction techniques (e.g., solid- and liquid-phase microextraction), green solvents and derivatization agents and use of chemometric tools for method optimization, signal processing, etc. are discussed in a critical way.
Energy Demand Estimation Based on Two-Different Genetic Algorithm Approaches

Energy modeling is a subject of widespread current interest among engineers and scientists concerned with problems of energy production and consumption. Energy planning is not possible without a reasonable knowledge of past and present energy consumption and likely future demands. In this study, two forms of the energy demand equations are developed in order to improve energy demand estimation efficiency for future projections based on the genetic algorithm (GA) notion. The genetic algorithm energy demand (GAEDM) model is used to estimate Turkey's future energy demand based on gross domestic product, population, import, and export figures. Both equations proposed here are non-linear, of which one is exponential and the other is quadratic. The quadratic form of the GAEDM model provided a slightly better fit solution to the observed data and can be used with a high correlation coefficient for Turkey's future energy projections. It is expected that this study will be helpful in developing highly applicable and productive planning for energy policies.
ICP (inductively coupled plasma) dry etch of DUV MoSi HTPSM

Attenuated phase shift mask (PSM) have gained wide acceptance in the manufacturing environment during last few years with the advantage of improving DOF margin. However, etching attenuated phase shift film remains a challengeable process that affects several critical mask parameters including critical dimension, side slope and surface damage. In order to select the proper gas mixture condition, we will discuss the results of several experiments, utilizing CHF3 gas mixture, CF4/He/O2 gas mixture and SF6/He gas mixture chemistries. This paper reports the results of etching MoSi attenuated phase shifting materials using an inductively coupled plasma (ICP) system. Qz surface damage and trench for contact pattern is also reviewed as well as performance among those different gas mixture.
Solubility of Clopidogrel Hydrogen Sulfate (Form II) in Different Solvents

As an urgent need in the design and upscale of the industrial crystallization process, solubilities of clopidogrel hydrogen sulfate (Form II) in ethanol, propanol, isopropanol, butanol, and acetone were measured using a laser-monitoring technique at temperatures ranging from (278.15 to 318.15) K. The experimental data were fitted well by the modified Apelblat equation.
Crystallographic and spectroscopic studies of low-symmetry nickel(II) complexes possessing long nickel-nitrogen bonds

Etude structurale du complexe Ni[NH 2 C 2 H 4 N(C 2 H 5 ) 2 ] 2 (NCS) 2 . Cristallisation dans le groupe P1 avec a=10,438, b=8,073 et c=14,876 A, α=87,2, β=109,6 et γ=112,8°, Z=2. Coordinence 6 des complexes. Spectres electroniques du complexe et des complexes proches