Miracle-dz/UniFAR-FTUs huggingface dataset:
Photoinduced surface alignment for liquid crystal displays

This review examines surface alignment of liquid crystals by exposure to light. Two distinct effects are discussed: illumination with polarized light induces a surface anisotropy to an alignment layer and hence a preferred in-plane orientation of the overlying liquid crystal director. Alternatively, a photochemical reaction of the alignment surface changes the liquid crystal anchoring conditions from homogeneous to homeotropic. We discuss how cis/trans isomerization, crosslinking and photodegradation are used to produce photoalignment layers and we show how the performance of the materials can be optimized by molecular design. Pretilted alignment is discussed and theoretical models are introduced to explain the photoalignment process. A range of display and non-display applications for photoalignment is presented.
Synthesis, Morphology, and Field-Effect Mobility of Anthradithiophenes

The synthesis, thin-film morphology, and hole mobility in thin-film transistors (TFTs) of compounds based on the novel anthradithiophene (ADT) ring system are reported. The parent compound and its 2,8-dihexyl, didodecyl, and dioctadecyl derivatives (DHADT, DDADT, and DOADT, respectively), synthesized via alkylated thiophene dicarboxaldehyde acetals, were investigated. They all form highly ordered polycrystalline vacuum-evaporated films with mobilities as high as 0.15 cm2/(V s), as high as has ever been observed for a polycrystalline organic material. DOADT has a mobility of 0.06 cm2/(V s) even though 70% of its molecular volume is occupied by hydrocarbon chains. DHADT was cast from solution under atmospheric conditions onto a TFT giving a mobility of 0.01−0.02 cm2/(V s). Thus, the alkylated ADTs combine a pentacene-like intrinsic mobility with greater solubility and oxidative stability.
Synthesis of 4‐[18F]fluoroiodobenzene and its application in sonogashira cross‐coupling reactions

The first application of a Sonogashira cross-coupling reaction in 18F chemistry has been developed. The reaction was exemplified by the cross-coupling of terminal alkynes (ethynylcyclopentyl carbinol 6, 17α-ethynyl-3,17β-estradiol 7 and 17α-ethynyl-3-methoxy-3,17β-estradiol 8) with 4-[18F]fluoroiodobenzene. 4,4′-Diiododiaryliodonium salts were used as precursors for the synthesis of 4-[18F]fluoroiodobenzene, enabling the convenient access to 4-[18F]fluoroiodobenzene in 13–70% yield using conventional heating or microwave activation. The Sonogashira cross-coupling of 4-[18F]fluoroiodobenzene with terminal alkynes gave the corresponding 4-[18F]fluorophenylethynyl-substituted compounds [18F]-9, [18F]-10 and [18F]-13 in yields up to 88% within 20 min of starting from 4-[18F]fluoroiodobenzene. Copyright © 2003 John Wiley & Sons, Ltd.
Nonlinear optical study of p-bromo-benzylidene aniline-substituted

Schiff bases in general are important molecules from several aspects. They are compounds with a functional group that contains a carbon-nitrogen double bond with the nitrogen atom connected to an aryl or alkyl group, not hydrogen. Imines are crucial synthetic intermediates, they do have biological role and the salicylidene types may exibit thermocromic or photocromic properties. These latter two are connected to structural features, i.e., to the possibility of proton transfer complex formation. In this work, the Z-Scan technique is used to measure the nonlinear optical properties of p-bromo-benzylidene aniline substituted. All compounds display absorption bands in the range between 250 and 440 nm, being transparent in the near infrared region. Under 405 nm milliseconds excitation, the nonlinear optical process of p-bromo-benzylidene aniline substituted in DMSO solutions is caused by laser heating. The optical nonlinearity is proportional to the value of linear absorption and depends on substituent and his position.
Effect of nanoparticles on an rf discharge afterglow

The influence of nanoparticles on a discharge plasma afterglow in argon is studied using particle-in-cell Monte Carlo collision simulations. The anomalous electron density increase observed in the experiment (Berndt et al 2006 Plasma Sources Sci. Technol. 15 18) is analysed on the basis of the electron and ion distribution functions. It is shown that the departure of fast electrons to the electrodes in the early afterglow is responsible for the rapid increase in the electron density. When the fast electrons escape from the discharge volume, the balance of the electron and ion currents on the dust surface is disturbed, and the magnitude of the dust floating potential drops. The electrons released from the dust surface contribute to the anomalous growth of the electron density. The additional production of electrons due to metastable–metastable ionization enhances the effect of electron density increase provided by dust discharging.
Is the (hfac)Cu(I)–(tmvs) bond intrinsically weak?

Density functional theory studies were performed to study the structure and bonding of (hexafluoroacetylacetonate)-copper(I)-(trimethylvinylsilane) [Cu(hfac)(tmvs)], an ideal and important Cu(I)-CVD compound. A popular three-parameter hybrid density functional (B3LYP) with 6-311+G(d,p) and an effective core potential included LanL2DZ basis set was utilized for this purpose. The (hfac)Cu–(tmvs) bond energy of approximately 30 kcal mol−1 obtained at the B3LYP/6-311+G(d,p) level of theory reveals that the Cu–olefin bond in Cu(hfac)(tmvs) is not as weak as previously estimated/assumed and, hence, that the substrate plays a vital role in copper film formation from Cu(hfac)(tmvs). Bonding analysis reveals that fairly strong (hfac)Cu–(tmvs) bonding is the result of DCD-model σ-donation and π-back-bonding between the copper and tmvs in Cu(hfac)(tmvs).
Variation‐perturbation theory within a time‐dependent Kohn–Sham formalism: An application to the determination of multipole polarizabilities, spectral sums, and dispersion coefficients

The variation‐perturbation method within time‐dependent Kohn–Sham theory is used to calculate atomic multipole polarizabilities, spectra sums, and multipole–multipole two‐body dispersion coefficients. The first‐order corrections to Kohn–Sham amplitudes and phases were obtained from a direct variational approach and from the method of Cauchy moments. The multipole Cauchy moments were used to construct Pade approximants, which gave us upper and lower bounds to the two‐body dispersion coefficients. Four approximations to the exchange‐correlation energy were investigated in the present work and the gradient expansion for atoms proved to be most satisfactory.
Stereoselective Synthesis of (2 E ,4 Z )-Dienamides Employing (Triphenylphosphoranylidene)ketene

The three-component reaction between ylide Ph3PCCO, amines and aldehydes is known to afford selectively (E)-α,β-unsaturated amides. We applied a variant of this methodology to the preparation of (2E,4Z)-dienamides 11 utilizing the phosphonium salt formation from ethyl 5-aminopentanoate hydrochloride and Ph3PCCO followed by deprotonation with DBU and a Wittig olefination of the corresponding ylide with various (Z)-α,β-unsaturated aldehydes 10. The (2E,4Z)-dienamides 11 were isolated in yields of up to 80 %. The (Z)-configuration of the starting aldehydes 10 remained untouched during the reaction. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Studies of the disappearance of nine pesticides on celery and lettuce grown on muck soils in Ontario, 1977–1980

Nine experiments involving seven insecticides and two fungicides were conducted with celery and lettuce between 1977 and 1980 in order to provide data which would confirm or up-date the current recommendations for registered compounds, and also to provide data on the disappearance rates of alternative non-registered insecticides. Endosulfan, applied to celery at a rate of 0.8 kg ha−1, required 14 days to decline below the tolerance level of 1.0 mg kg−1; residues of methomyl on celery declined below the tolerance level of 2.0 mg kg−1 within the first 3 days. Parathion, when applied as an emulsifiable concentrate to celery, required greater than 21 days to decline to the tolerance level of 0.7 mg kg−1, compared with 10 days when applied as a wettable powder. Applications of parathion on celery, at repeated weekly intervals at a rate of 0.3 kg ha−1, produced significantly higher initial residues with five applications than when one or three applications were made; after 10 days from the terminal application, there were only slight differences in residue levels. Maneb and zineb residues declined below tolerance levels within 3–7 days following application. Alternative insecticides investigated for use on celery and lettuce included acephate, cypermethrin, fenvalerate and permethrin. Celery, treated with acephate at a rate of 0.75 kg ha−1, required more than 13 days for residues to decline below a negligible level (0.1 mg kg−1); the disappearance of acephate in lettuce appeared to be somewhat faster, requiring from 3 to 14 days to decline to the 0.1 mg kg−1 level. Cypermethrin, fenvalerate and permethrin, all applied at the rate of 0.08 kg ha−1, disappeared rapidly on both celery and lettuce, and the residues fell below 0.1 mg kg−1 within 8–14 days on celery, and within 3–7 days on lettuce.
Highly Ordered Snowflakelike Metallic Cobalt Microcrystals

A facile hydrothermal reduction route based on a precipitate slow-release controlled process was developed to fabricate highly ordered snowflakelike metallic cobalt microcrystals under mild conditions. In this synthetic system, soluble hydrated cobalt nitrate was employed to supply a Co source, sodium hydroxide was used as a precipitator, and aqueous hydrazine was used as a reducing agent. The shape, structure, and magnetic properties of the final products were investigated by XRD, SEM, EDS, and a SQUID magnetometer. The probable formation mechanism of the snowflakelike microcrystals was discussed on the basis of the experimental results. The highly ordered snowflakelike microcrystals might have potential applications in microdevices and magnetic cells.
Predicting Droplet Size Distribution by Image Processing Technique for an Air Blast Atomizer

An image processing technique was used to predict the size distribution of the high speed, fine droplets at downstream of an air blast atomizer. The spray visualization setup consisted of UV lamps as light source, a stroboscope for slowing down the droplet motion, and a digital camera to capture the droplet images. The experiments were carried out at different liquid flow rates with various nozzle diameters. Two key unknown parameters (spray half angle and dispersion angle) of the air blast atomizer model in Fluent were obtained from these experiments. Using the obtained parameters and other structural parameters, the spray modeling was performed, and the Rosin–Rammler distribution was obtained and compared with those obtained from image processing technique through a diagnostic matrix. Regarding the kappa value, the agreement between predictions of the Fluent model and the image processing technique was moderate.
The Impact of Higher Education, Ethnicity, & the Intersection of Both on Perceptions of People with Mental Illness

The purpose of this study was to explore how higher education and ethnicity may individually impact perceptions of people with mental illness, as well as to explore the intersection of higher education and ethnicity on such perceptions. Descriptive phenomenological in design, this study explores the experiences of ten students at a university in Portland, Oregon. In semi-structured, open-ended interviews participants recalled experiences in which higher education, ethnicity, and the intersection of both impacted how they thought about mental illness. Interview transcripts were coded and analyzed using Colaizzi’s (1978) seven-step process. The analysis resulted in several themes supporting the current literature on higher education and ethnicity, including: perspective shift towards acceptance, increased self-awareness, and cultural value of emotional restriction. New themes were also discovered regarding the intersection of higher education and ethnicity, including: difficulty accepting stigmatizing cultural beliefs, increased awareness of the role of family, no intersection, and clearer understanding of one's own culture. Future research may expand on each theme uncovered in this study in greater depth to provide more insight into what specific mechanisms within each theme are influencing perception of mental illness.
Magnetic and Electronic Properties of the Compound Y(Co,Fe)5 Calculated by the Augmented Spherical Wave Method

Energy band structure and density of states of the compound Y(Co,Fe)5 were obtained by the augmented spherical wave method. Also the localization of the magnetic moment inside the unit cell, the effect of pressure and the substitution of Co atoms by Fe atoms were studied at the temperature of 0 K. Metallic Co showed a magnetic moment of 1.5 B while metallic Y showed its non magnetic behavior. Inside the compound YCo5 the Y atom had a contribution of –0.3 B to the total magnetization of the unit cell. A negative pressure caused the change of the Fermi energy and the modification of the magnetic moment. With a big enough positive pressure the total magnetic moment dropped to zero. The substitution of Co by Fe caused a change in the compound from strong ferromagnetic to soft ferromagnetic.
The radiochemical hydroxyl radical measurement method

The radiocarbon tracer technique for measuring ground-level OH concentrations is described in detail with special emphasis on the validity of the method and the steps taken to ensure reproducible measurements. The method uses {sup 14}CO as a tracer of the tropospheric CO-OH reaction in a photolytic UV-transparent flow reactor. The OH concentration is inferred from the amount of tracer used, the Co-OH reaction rate constant, the reaction time, and the {beta}{sup {minus}} activity of the resulting {sup 14}CO{sub 2}. Forty-two experiments performed on 5 days in October 1987 revealed midday mean OH concentrations of (10.1 {plus minus} 3.3) {times} 10{sup 6} and (2.9 {plus minus} 0.5) {times} 10{sup 6} radicals cm{sup {minus}3} in polluted and pure air, respectively. Early morning and evening OH concentrations were less than (2.5 {plus minus} 0.5) {times} 10{sup 5} radicals cm{sup {minus}3}. The significant differences between the OH concentrations observed in the clean air near Colfax, WA, and the polluted air in Pullman, WA, are attributed to the Washington State University coal-fires power plant plume.
Cell treatment and surface functionalization using a miniature atmospheric pressure glow discharge plasma torch

A miniature atmospheric pressure glow discharge plasma torch was used to detach cells from a polystyrene Petri dish. The detached cells were successfully transplanted to a second dish and a proliferation assay showed the transplanted cells continued to grow. Propidium iodide diffused into the cells, suggesting that the cell membrane had been permeabilized, yet the cells remained viable 24 h after treatment. In separate experiments, hydrophobic, bacteriological grade polystyrene Petri dishes were functionalized. The plasma treatment reduced the contact angle from 93° to 35°, and promoted cell adhesion. Two different torch nozzles, 500 µm and 150 µm in internal diameter, were used in the surface functionalization experiments. The width of the tracks functionalized by the torch, as visualized by cell adhesion, was approximately twice the inside diameter of the nozzle. These results indicate that the miniature plasma torch could be used in biological micropatterning, as it does not use chemicals like the present photolithographic techniques. Due to its small size and manouvrability, the torch also has the ability to pattern complex 3D surfaces.
Changes in the Peel Oil Composition of Kagzi Lime (Citrus aurantifolia Swingle) during Ripening

Abstract The peel oil of Kagzi lime (Citrus aurantifolia Swingle) was isolated by hydrodistillation at six ripening stages and analyzed by GC. Nineteen components were identified and some important aroma components were observed at higher concentrations than normally reported such as neral and geranial (7.8%), geraniol (7.3%) and citronellol (1.2%), particularly in green fruits. A decrease in oxygenated monoterpenes and an increase in monoterpene hydrocarbons was observed during ripening. The peel of mature green lime fruits was found rich in organoleptically important oxygenated constituents (29.7%).
Wearable Human Health-monitoring Band using Inkjet-printed Flexible Temperature Sensor

This paper presents a wearable human health-monitoring band. The band consists of a body temperature detector (BTD) and a hear rate detector (HRD). The BTD and HRD are realized using an inkjet-printed flexible temperature sensor and a commercial heart rate sensor module, respectively. The sensitivity of the fabricated BTD was found to be -31/°C with a linearity of 99.82%. The HRD using the commercial heart rate sensor module has a good performance with a standard deviation of 0.85 between the data of a commercial smart watch and the fabricated HRD.
The Passivity and Breakdown of Beryllium in Aqueous Solutions

The passivity of 98.0% pure beryllium has been studied in ambient temperature aqueous solutions as a function of pH. Below solution pH 2, potentiodynamic polarization curves exhibited active dissolution at all applied anodic potentials. In solution pH 2 to 12.5 it is shown that beryllium exhibits passive anodic behavior at potentials below 0.6 V vs. (saturated calomel electrode) SCE. Anodic polarization above 0.6 V SCE in the pH range of 2 to 12.5 led to a stepped increase' in the passive current density followed by oxygen evolution. This stepped increase was associated with a change in the specific resistivity of the passive film above 0.6 V SCE as determined by electrochemical impedance spectroscopy (EIS). EIS results were analyzed in the context of an equivalent circuit model which incorporated two time constants, one associated with the oxide film and the other associated with the electrode/solution interface. From these EIS experiments, the oxide growth rate was determined to be 6.0 A/V over the potential range of 0 to 4 V. At higher anodization potentials the growth rate appeared to be somewhat lower. Breakdown of passivity was studied in chloride and fluoride solutions. In chloride, the attack was found to be localized while in fluoride, the attack was localized only at concentrations below 10 3 M. Above 10 3 M, uniform attack was observed. In the pH range of 2 to 12.5, the pitting potential of beryllium in chloride environments was found to be independent of pH. In solutions containing both fluoride and chloride ions, the presence of the fluoride increased the passive current density of beryllium, but had no effect on the pitting potential.
Friction between Polymer Brushes in Good Solvent Conditions: Steady-State Sliding versus Transient Behavior

Previous molecular dynamics simulations of friction between polymer brushes in relative sliding motion [Kreer, T. ; Muser, M. H. ; Binder, K. ; Klein, J. Langmuir 2001, 17, 7804] are extended beyond steady-state conditions. We study two different protocols: (i) stop and return and (ii) stop and go. In protocol (i), the relative, lateral motion between the two surfaces is stopped abruptly and reimposed opposite to the initial direction after the system could relax for some time. Protocol (ii) is similar except that the sliding direction is maintained. In the constant-velocity steady state, the average lateral extension lc of the polymers is found to be a power law of the sliding velocity v, namely, lc ∝ v0.3. When the sliding direction is inverted, a shear stress maximum is observed after the two walls have slid a relative distance of 2lc. This maximum occurs when the average inclination of the polymers is 90°, and it is accompanied by brush swelling. In protocol (ii), no brush swelling is found and shear st.
Optical absorption and fluorescence properties of chromophoric dissolved organic matter in natural waters

Complete optical absorption and fluorescence spectra were collected for a diverse suite of 0.2-μm-filtered marine, riverine, and estuarine waters, as well as for colored dissolved organic matter (CDOM) isolated from several of these waters by solid-phase C 18 extraction. Absorption and fluorescence parameters for these samples are reported. For surface waters, variations in the fluorescence quantum yields obtained with 355- and 337-nm excitation fell within a narrow window (< 2.5-fold variation about the mean values), demonstrating that fluorescence measurements can be used to determine absorption coefficients of CDOM in the ultraviolet region with reasonably good accuracy. Methods for predicting absorption coefficients and line shapes from the fluorescence data are introduced and tested. The absorption and fluorescence spectra of CDOM extracted from some seawaters differed significantly from those of the original waters, demonstrating that material isolated by hydrophobic adsorption is not necessarily representative of the suite of colored organic matter present in aquatic systems. These results clearly illustrate that great care must be taken when extracted material is used to infer the optical properties of natural waters
Preparation and characterization of polypyrrole/TiO2 nanocomposites by reverse microemulsion polymerization and its photocatalytic activity for the degradation of methyl orange under natural light

PPy/TiO2 nanocomposites were successfully prepared by reverse microemulsion polymerization and used as an effective photocatalyst for the degradation of methyl orange. Titanium dioxide (TiO2) was modified by silane coupling agent to improve the dispersity before the polymerization. X-ray diffraction (XRD), transmission electron microscopy (TEM), and Fourier-transform infrared spectra were carried out to characterize the morphology and structure of the samples. TEM analysis shows that TiO2 particles are deposited by polypyrrole (PPy) and the existence of PPy mitigates the agglomeration of TiO2. XRD spectra reveal that the deposition of PPy does not change the structure of TiO2 particles. Uv–vis analysis shows that the PPy/TiO2 nanocomposites have a higher photocatalytic activity under natural light than neat TiO2. The highest degradation rate occurs when the mass ratio of PPy to TiO2 is kept at 0.02. POLYM. COMPOS. , 34:1076–1080, 2013. © 2013 Society of Plastics Engineers
Pilot study into the effects of solvents on artificially aged egg tempera films

Abstract Unlike oil paints, there is virtually no information in the conservation literature on either the ageing of egg yolk tempera paint films or on the effects of organic solvents and other cleaning agents on tempera paint films. The present study is an exploratory investigation of these subjects and focuses on simple observations on reference paint films and analyses of soluble compounds leached by organic solvents. Paint films of vermilion, azurite, lead white, verdigris and films of egg yolk medium alone were subjected to different regimes of accelerated ageing. Accelerated ageing involved light ageing in a xenon arc fadeometer fitted with UV filters, followed by thermal ageing in a humidity controlled oven. Samples of aged and unaged films were treated with a range of simple organic solvents: hexane, acetone, toluene, ethanol and chloroform. Surface topographical changes were monitored by scanning electron microscopy. Compounds extracted by solvent immersion were analysed by gas‐liquid chromatogra.