Miracle-dz/UniFAR-FTUs huggingface dataset:
Acid/Base Properties and Adsorption of an Azo Dye on Coating Pigments

Adsorption of an anionic disazo dye, Food Black 2 on coating pigments from polar solvents was studied. Pigments (kaolin, precipitated CaCO3, amorphous SiO2, TiO2, Al2O3, and talc) were chosen to be representative of those used in paper for ink‐jet printing. The predominating driving force for the adsorption was electrostatic interactions for all the pigments except talc, for which hydrophobic interactions were dominant. Lewis acid‐base properties of the pigments were studied by measuring adsorption of Lewis acid‐probe molecules from both polar and nonpolar media. The pigments studied were found to be amphoteric, containing both acidic and basic surface groups. However, in the presence of polar solvents, the adsorption of acid‐base probe molecules was greatly reduced, which indicates that Lewis acid‐base interactions have only a small influence on the adsorption of azo dyes from polar media such as water.
Single-Molecule Force Spectroscopy on Bombyx mori Silk Fibroin by Atomic Force Microscopy

A new atomic force microscopy (AFM)-based technique, single-molecule force spectroscopy (SMFS), was used to study the nanomechanics of Bombyx mori silk fibroin. Three types of force-extension curves were found in the system. A modified freely jointed chain (MFJC) model can fit two of the three types well, but the fit parameters are different. The third type of force curve, in which there exists a plateau, cannot be modeled by MFJC. These results may show that there are three kinds of conformations in the silk fibroin system and SMFS can “distinguish” different conformations of the polymer chains.
Functionalized Gold Nanoparticles for Applications in Bionanotechnology

Gold nanoparticles have unique optical and chemical properties that make them ideally suited for a number of applications in bionanotechnology, including optical probes, targeted drug delivery, and programmed materials synthesis. The recurring theme is the versatility of gold nanoparticles and how this versatility can be exploited to adapt gold nanoparticles to fit into different chemical environments—from aqueous suspensions to the hostile conditions of a cell culture or the human bloodstream. Herein, the optical and chemical properties of gold nanoparticles are described, and a number of specific applications within bionanotechnology are reviewed.
Influences of Material Characteristics on Ibuprofen Drug Loading and Release Profiles from Ordered Micro- and Mesoporous Silica Matrices

A series of mesoscopically ordered silicas with different pore sizes, pore connectivity, and pore geometry have been studied as carrier matrices for controlled drug delivery systems. Ibuprofen was used as a model drug, and the release processes were monitored under in vitro conditions. The adsorption of ibuprofen from hexane was shown to be of Langmuir type in all cases, and the degree of drug loading was dependent on the specific surface area and the pore diameter of the host matrix. The release process is found to be mainly diffusion controlled, but clear differences were observed between the studied materials, which we mainly ascribe to differences in the pore connectivity and pore geometry of the materials, and the aqueous stability of the matrix. The studied nanostructured silicas display a high degree of drug loading, and, depending on the host material, a controlled drug release can be provided for time periods varying from hours to weeks.
Ozone generation by indoor, electrostatic air cleaners

ABSTRACT This experimental study extends prior studies to consider the influences of discharge polarity, current, relative humidity, air temperature, and wire diameter and material on ozone generation rate in two-stage, wire-plate indoor air cleaners. Promising methods of decreasing the quantity of ozone released into living and work spaces are identified. Use of positive corona discharge is imperative since ozone generation rates are nearly an order of magnitude higher with negative discharge. For a specific precipitator design, the most important parameter in predicting ozone generation rate is current level. Changes in temperature and relative humidity of the inlet air stream over the range of ambient conditions expected in typical homes have less impact. In the commercial air cleaner studied, a 40% reduction in current from 1.08 to 0.60 mA, reduces ozone generation rate by nearly 50% from 0.005 to 0.0025 mg s−1. This reduction in current reduces particle collection efficiency by 20%. An increase in re.
Searching Mid-IR and NIR Spectra of Gases at Lower Resolutions

Abstract Searching an unknown spectrum in a library of standard spectra can produce erroneous results due to the fact that the unknown was measured on a different spectrometer under different operating conditions. Moreover, an unknown sample may be subjected to matrix effects, which cause shifting of the spectrum or broad background spectral features. In the present study, problems caused by spectral resolution differences, frequency shifts and broad spectral backgrounds were investigated. The feasibility of reducing or eliminating these problems by using filtered Fourier transforms was addressed. It was found that truncating the Fourier transforms could reduce detrimental effects caused by resolution degradations and frequency shifts. Background interferences were reduced by filtering truncated transforms with a Gaussian shape function. All of the processing was performed in the Fourier-domain to both mid-IR and NIR data sets.
Overview of Ionic Liquids Used as Working Fluids in Absorption Cycles

The cycle performance of refrigeration cycles depends not only on their configuration, but also on thermodynamic properties of working pairs regularly composed of refrigerant and absorbent. The commonly used working pairs in absorption cycles are aqueous solutions of either lithium bromide water or ammonia water. However, corrosion, crystallization, high working pressure, and toxicity are their major disadvantages in industrial applications. Therefore, seeking more advantageous working pairs with good thermal stability, with minimum corrosion, and without crystallization has become the research focus in the past two decades. Ionic liquids (ILs) are room-temperature melting salts that can remain in the liquid state at near or below room temperature. ILs have attracted considerable attention due to their unique properties, such as negligible vapor pressure, nonflammability, thermal stability, good solubility, low melting points, and staying in the liquid state over a wide temperature range from room temperature to about 300°C. The previously mentioned highly favorable properties of ILs motivated us for carrying out the present research and reviewing the available ILs found in the literature as the working fluids of absorption cycles. Absorption cycles contain absorption heat pumps, absorption chillers, and absorption transformers.
Leaf Canopy Structure and Vine Performance

Leaf canopy structure of mature Pinot noir grapevines was manipulated during two consecutive seasons: shoot tipping at full bloom (yes or no), lateral shoot length (no laterals, laterals cut back to four leaves at full bloom, laterals allowed to grow undisturbed), and cluster zone leaf removal (leaf removal in the cluster zone or no leaf removal). Treatments were carried out in factorial combinations. Shoot tipping at bloom increased percent fruit set, berries per cluster, cluster weight, yield per shoot, and yield to pruning ratio. Shoot tip removal also increased main and lateral leaf size and the contribution of lateral leaves to total leaf area. Tipping decreased total yield per vine, juice pH, leaf area per vine, pruning weight, and cane weight and sugars in the trunk during dormancy. Increasing lateral shoot length increased juice soluble solids, juice pH, skin anthocyanin content, cane weight, and sugar and total non-structural carbohydrates in the trunk during dormancy. Percent fruit set increased in the absence of vegetative growing tips, on either the main or lateral shoots. Leaf removal in the cluster zone four weeks after bloom had no impact on yield components but reduced juice soluble solids.
Experimental and Empirical Characterization of Reversed Phase Media

Abstract Characterization of solute, stationary phases, and mobile systems faces its challenges. This challenge touches on 5 characteristics studied herein. One, evaluate the effective particle diameter as a function of methanol–water composition. The objective is to use the effective particle size as measured by the pressure drop as a characteristic feature of the particle size for raw material testing. This is an alternative or improvement to using a characteristic of the particle size distribution. An effective particle diameter was measured at 3 microns for a nominal 5 micron material, indicative of a good particle size distribution. Two, quality parameters evaluated were precision, linearity, limit of detection, and limit of quantitation. Three, plate height data is measured as a function of flow rate in methanol-water with toluene as a probe solute. The data is evaluated by classic plate count models. Four, an improvement is made in the least square error, having a value of 10, for the van Deemter model by mathematical transformation of the reduced plate height and the reduced velocity of the raw data giving a 100 fold reduction in the error. Five, the mobile phase viscosity is characterized by application of the method of mathematical transformation of variables to enable determination of the viscosity, and then, calculation of the pressure drop as a function of temperature and composition with one equation and one set of parameters.
Photonic crystal hydrogel material for the sensing of toxic mercury ions (Hg2+) in water

We report the development of a new photonic crystal hydrogel for the sensing of highly toxic mercury ion (Hg2+) in water. This new sensing material optically reports the Hg2+ concentration in watervia diffraction of visible light from polymerized crystalline colloidal array (PCCA). The PCCA consists of light diffracting crystalline colloidal array (CCA) of monodisperse, highly charged polystyrene particles, which are polymerized within the polyacrylamide hydrogel. The changes in hydrogel surroundings trigger the volume change of hydrogel, which alters the lattice spacing of CCA and hence shifts the diffraction wavelength of light. The ions responsive urease coupled PCCA (UPCCA) hydrolyzes the urea and produces the HCO3− and NH4+ ions inside the hydrogel. These ions induce the charge-screening of the polyacrylamide carboxylates by decreasing the electrostatic repulsion between carboxylates and the polyacrylamide backbone relaxes, causing the shrinkage of hydrogel. Hence the UPCCA exhibits the blue shift of the diffracted wavelength. Hg2+ being the principal inhibitor of the urease-urea hydrolysis perturbs urea hydrolysis by the UPCCA when UPCCA is exposed to Hg2+ along with urea and hence suppresses the production of ions. This intervenes the shrinkage of hydrogel and does not allow the hydrogel to shrink as it shrinks in absence of Hg2+. Therefore the PCCA net blue shift decreases in the presence of Hg2+ along with urea compared to only urea. The extent of this hydrogel volume change is a function of Hg2+ concentrations. This UPCCA photonic crystal sensor detects ultra low (1 ppb) concentration of Hg2+ in water, exhibits reversibility and displays very high selectivity towards Hg2+. The uncompetitive inhibition nature of the urease enzyme, when it is covalently attached in the polymer hydrogel backbone, is the driving force for the very high selectivity and reversibility of the UPCCA sensor.
Pyrene Biodegradation by Mycobacterium Frederiksbergense Using an Encapsulated Oil System

Polycyclic aromatic hydrocarbons (PAHs) belong to a large group of organic pollutants and are persistent in nature. Negligible bioavailability due to low aqueous phase solubility of these compounds largely limits their biodegradation. The present study investigated oil encapsulation method for delivery and enhancement of bioavailability in biodegradation of PAHs using Mycobacterium frederiksbergense. Using pyrene as the model PAH compound, different organic solvents were tested for their solubilizing ability and biocompatibility with pyrene. Solubility of pyrene in silicone oil, paraffin oil, hexadecane, and isopropyl myristate (IPM) were found to be 2.8, 25.5, 40, and 72 g/l, respectively. Besides, paraffin oil and silicone oil showed relatively high degrees of biocompatibility. However, based on both pyrene solubilizing ability and biocompatibility, paraffin oil was further selected and pyrene-containing paraffin oil was successfully encapsulated within chitosan-coated alginate-polyvinyl alcohol (PVA) microspheres with more than 99% encapsulation efficiency. Nearly complete degradation of 20 g/l pyrene by M. frederiksbergense was achieved within seven days employing the novel paraffin oil encapsulated PAH delivery system.
Measurement of DNA Mutations Caused by Seconds-period UV-irradiation

UV is a potent mutagen threatening human health. A genome analysis technology, genome profiling, was found to be used to measure UV-irradiated DNA mutations quantitatively within the range of 500 J/m 2 of UVA. An intriguing phenomenon was also observed for the UV-irradiation to in vivo DNA that the apparent amount of mutations oscillated responding to an increasing amount of UV-dosage. This method is advantageous in measuring the alteration of DNA directly, eliminating the necessity of complicated interpretation required for bioassays.
DFT Study of Hydrogen Adsorption on Palladium Decorated Graphene

The adsorption of several molecular and dissociative dihydrogen systems on a Pd-decorated graphene monolayer was studied using the density-functional theory. Our calculations show that the most favorable graphene-supported coordination structure is similar to the PdH2 complex in vacuum, where the H−H bond is relaxed but not dissociated. We also computed overlap populations corresponding to bonds and atomic orbital interactions in order to study the evolution of the chemical bonding. During the decoration process with Pd, we detected a weakening of C−C bonds close to the adsorption site and the formation of strong C−Pd bonds, coming from interaction between C 2pz and Pd 5s, 5pz, and 4dz2 orbitals. After H2 molecule adsorption, the H−Pd bond is formed by the H 1s orbital overlap with the Pd 5s orbital, but this interaction became stronger during the atomic hydrogen adsorption. The objective of this work is to contribute to the understanding of the hydrogen uptake of Pd-doped graphene surfaces.
Synthesis of Phospholane–Phosphoramidite Ligands and their Application in Asymmetric Catalysis

A set of phospholane–phosphoramidite ligands, which possess four elements of chirality, has been synthesized through a modular diastereoselective process. The ligands were applied in the Rh‐catalyzed asymmetric CC hydrogenation of several functionalized olefins with enantioselectivities of up to 99 % ee and a turnover frequency of up to 12 000 h−1, in the Rh‐catalyzed hydroformylation of vinyl arenes with enantioselectivities of up to 79 % ee, and in the Ir‐catalyzed asymmetric CN hydrogenation of different aryl imines with enantioselectivities of up to 79 % ee.
Application of sequential paired covariance to capillary electrophoresis electrospray ionization time-of-flight mass spectrometry: Unraveling the signal from the noise in the electropherogram

The combination of capillary electrophoresis (CE) with electrospray ionization (ESI) time-of-flight mass spectrometry (TOF-MS) has recently been demonstrated. When CE is combined with TOF-MS using an electrospray interface, the method provides fast, high-resolution separations with rapid mass analysis and the potential for very high sensitivity. In analyzing the data, one first reconstructs an electropherogram from the data set and then identifies peaks in the mass spectra. The mass spectra corresponding to the peaks in the electropherogram are then inspected to enable solute identification. However, background noise often prevents detection of peaks in the reconstructed electropherogram, thus interfering with the analysis. In this work we demonstrate alternative electropherogram reconstruction techniques that enhance its signal-to-noise ratio, allowing more immediate identification of the number of components in a mixture and their corresponding retention times. The techniques described here should also be adaptable for on-line analysis of CE-ESI-TOF data and the combination with other separation techniques coupled to mass spectrometry (e.g., LC/MS), as well as any multichannel detection scheme. 21 refs., 4 figs., 1 tab.
Bis(trimethylsilyl)selenide in the Selective Synthesis of β‐Hydroxy, β‐Mercapto, and β‐Amino Diorganyl Diselenides and Selenides Through Ring Opening of Strained Heterocycles

A novel approach to the synthesis of β-substituted dialkyl diselenides and selenides is described through reaction of bis(trimethylsilyl)selenide with epoxides, thiiranes, and aziridines catalyzed by tetrabutylammonium fluoride. Selective formation of a wide variety of β-hydroxy, β-mercapto, and β-amino diselenides and selenides is achieved by controlling the reaction conditions in the regioselective attack of the silyl selenide onto the ring-strained heterocycles. All reactions occur in a highly regioselective and enantioconservative manner, affording the title compounds with good to high yields. Selenium-77 NMR chemical shifts were measured to verify the selective formation of the β-substituted diselenides and selenides.
“Living”/controlled radical copolymerization of

Polyarylether dendrons as macroinitiators for the “living”/controlled free radical copolymerization of N-phenylmaleimide (PhMI) and styrene (St) have been demonstrated. The copolymerization was carried out in bulk or anisole with CuBr/bipy catalyst at 100—130℃. It is found that the resulting copolymers possess predetermined molecular weights and narrower polydispersities (1.18 M w / M n r PhMI = 0.0207, and r St = 0.0484, respectively.
Studies of the growth parameters for silver nanoparticle synthesis by inert gas condensation

Silver nanoparticles were synthesized by an inert gas condensation method using flowing helium in the process chamber. Nucleation, growth mechanism, and the kinetics of nanoparticle formation in vapor phase are studied. Effect of process parameters, such as evaporation temperature and inert gas pressure, on the particle crystallinity, morphology, and size distribution are examined. Particles were synthesized at evaporation temperatures of 1123, 1273, and 1423 K and at helium pressures of 0.5, 1, 5, 50, and 100 Torr. Synthesized silver nanoparticles were characterized by x-ray diffraction (XRD) and transmission electron microscopy (TEM). The particle size ranged from 9 to 32 nm, depending on the growth conditions. At lower evaporation temperature and inert gas pressure, smaller particles with spherical shape showing less agglomeration are formed. Based on the experimental results and theoretical model of surface free energy and undercooling as a function of evaporation temperature and inert gas pressure, particle formation is analyzed. A simple operating map for nanoparticle synthesis is presented. The theoretical model is well supported by the experimental data.
Consumer interpretation of the term food safety

The meaning of the term “food safety” is well-known and defined in expert circles. But in researching how the term is interpreted by consumers, new dimensions are opening, which can be used as a guide in preparation of educational material for consumers. In the paper the authors analyse statements made by consumers when answering the question, “How do you interpret the term food safety? ” The results are part of an extensive research titled “Consumers and Food Safety”, which took place from January to March in 2006 involving 1030 respondents from different places in Slovenia. Findings of quota sample show considerable terminological diversity among statements made by respondents regarding a description of the term “safe food”. Based upon the code assignment, five single-meaning thematic categories were identified: A: Harmless for health, B: Healthy food, C: Production method, D: Technological procedure, E: Surveillance. The answers with extensive content included more onetheme categories and were classifie.
Preparation and evaluation of a novel molecularly imprinted hybrid composite monolithic column for on-line solid-phase extraction coupled with HPLC to detect trace fluoroquinolone residues in milk

A novel molecularly imprinted organic–inorganic hybrid composite monolithic column (MIP-HCMC) was prepared in a stainless-steel chromatographic column for the determination of fluoroquinolone residues in milk by on-line solid-phase extraction coupled with HPLC. The MIP-HCMC was prepared using enrofloxacin as the template, methacrylic acid and 2-hydroxyethyl methacrylate as functional monomers, tetraethoxysilane as inorganic precursor and methacryloxypropyltrimethoxysilane as coupling agent, toluene and polyethylene glycol as porogenic solvents, and ethylene glycol dimethacrylate as the cross-linking agent. The synthetic conditions were optimized. The chemical group, morphology, thermal stability, dynamic adsorption characteristic and swelling of the monolithic column were characterized by IR, SEM, TG, dynamic binding tests and swelling tests, respectively. An enrichment factor (EF) of 18.5 along with a good sample clean-up effect was obtained under the optimized conditions when the method was applied to milk sample analysis only after centrifugation. The average recoveries of four fluoroquinolones from milk spiked at 0.05, 0.1 and 0.25 mg kg−1 were in the range of 89.1–99.2% with the precision of 3.55–4.32%. The limits of detection and quantification of the proposed method were 1.69 and 5.63 μg kg−1 for ofloxacin, 1.63 and 5.43 μg kg−1 for lomefloxacin, 3.74 and 12.5 μg kg−1 for ciprofloxacin, 1.37 and 4.56 μg kg−1 for enrofloxacin, respectively. The proposed method was successfully applied to on-line extraction and determination of fluoroquinolone antibiotics in milk.
Autoionization-Detected Infrared Spectroscopy of Molecular Ions

A new method for infrared spectroscopy of cold molecular ions is proposed, and its application to the phenol ion is presented. Very high Rydberg states converging to the first ionization threshold are prepared by two-color double-resonance excitation. Vibrational excitation of the ion core of the Rydberg states induces autoionization, leading to the molecular ion. An infrared spectrum is obtained by monitoring the ion current as a function of the vibrational excitation laser frequency. The observed spectrum practically provides the vibrational frequency of the bare ion.
ZnS Nanoparticle-Assisted Synthesis and Optical Properties of ZnS Nanotowers

Tower-like ZnS nanostructures are facilely synthesized via a ZnS nanoparticle-assisted vapor deposition route. Scanning electron microscopy and transmission microscopy observations show that the tower-like structures are likely to be made up in a layer-by-layer fashion and consist of quasi-hexagonal plates. The growth of nanotowers is initiated by the preferred nucleation on the ZnS nanoparticles precoated on Si substrate, followed by alternate two-dimensional growth of hexagonal plates/layers inside nanotowers and one-dimensional stacking in the direction perpendicular to the plates/layers via vapor-solid growth processes. Such nanotowers, due to the existence of many interfacial defects, display distinct photoluminescence and Raman spectra from nanoplates prepared without the assistance of ZnS nanoparticles. The photoluminescence spectra of the nanotowers show two strong emission bands located at 394 and 592 nm. In Raman spectra, two anomalous modes at 233 and 488 cm-1 are observed.