Miracle-dz/UniFAR-FTUs huggingface dataset:
Deposition and Characterization of In-Situ Boron Doped Polycrystalline Silicon Films for Microelectromechanical Systems Applications

In an effort to develop thick, p-type polycrystalline silicon (polysilicon) films for microelectromechanical systems (MEMS) applications, in-situ boron-doped polysilicon films were deposited by a single-step APCVD process at susceptor temperatures ranging from 700°C to 955°C. The process produces boron-doped films at a deposition rate of 73 nm/min at 955°C. Spreading resistance measurements show that the boron doping level is constant at 2 × 10 19 /cm 3 throughout the thickness of the films. Doped films deposited at the low temperatures exhibit compressive stress as high as 666 Mpa; however films deposited at 955°C exhibited stress as low as 130 MPa. TEM and XRD show that the microstructure strongly depends on the deposition conditions. Surface micromachined, singly clamped cantilevers and strain gauges were successfully fabricated and used to characterize the residual stress of 5.0 µm-thick doped films deposited at a susceptor temperature of 955°C.
Study of the immunosuppressive activity of methanolic extract of Madhuca longifolia (Koenig)

SUMMARY The immunosuppressive activity of the Methanol extract of bark of Madhuca longifolia (Koenig) consisting of a mixture of saponins, flavonoids, tannins, steroids, phenol and glycosides was studied on the immune responses in mice. Methanol extract of Madhuca longifolia (MLL) was administered orally at doses of 50, 100 and 150 mg/kg/day to healthy mice divided into four groups consisting of six animals each. The assessment of immunomodulatory activity was carried out by testing the humoral (antibody titre) and cellular (foot pad swelling) immune responses to the antigenic challenge by sheep RBCs. Furthermore, the effect on hematological parameters as well as relative organ weight was determined. On oral administration MML showed a significant decrease delayed type hypersensitivity (DTH) response whereas the humoral response to sheep RBCs was unaffected. Thus MLL significantly suppressed the cellular immunity by decreasing the footpad thickness response to sheep RBCs in sensitized mice. With a dose of 100 and 150 mg/ kg/day the DTH response was 7.66 ± 2.75 and 6.41 ± 1.21 respectively in comparison to corresponding value of 14.50 ± 2.38 for untreated control group. These differences in DTH response were statistically significant ( P < 0.05). The study demonstrates that MLL shows preferential suppression of the components of cell-mediated immunity and shows no effect on the humoral immunity.
Chiroptical Properties of Poly{3,4-bis[(S)-2-methyloctyl]thiophene}

The circular dichroism (CD) of a polythiophene in the molecularly dispersed state was observed for the first time. The polythiophene possesses two chiral alkyl side chains (poly{3,4-bis[(S)-2-methyloctyl]thiophene}, PDMOT). The chiroptical properties of this polymer in solution, aggregate, and thin solid film states were investigated. A chirally distorted main-chain conformation in a single molecule of PDMOT accounts for the observed CD spectra in solution and could also be considered as a novel chiral motif in an optically active polymer, besides the highly ordered, intramolecular helical structure and the chiral superstructure resulting from intermolecular π−π stacking. Significant temperature and solvent effects on the CD were also observed in the spectra.
Role of the n-alkyl end of bristles in governing liquid crystal alignment at rubbed films of brush polymer rods

A series of poly(p-phenylene 3,6-bis(4-(n-alkyloxy)phenyloxy)pyromellitimide)s (Cn-PMDA-PDA PIs) with various lengths of the n-alkyl bristle end group, which are well-defined polymer rods with two bristles per repeat unit of the polymer rod backbone, were studied as thin films using atomic force microscopy, optical retardation, and linearly polarized infrared spectroscopy before and after rubbing with a velvet fabric, and their nematic liquid crystal (LC) aligning abilities were investigated. The LC molecules on the rubbed film surfaces of Cn-PMDA-PDA PIs with n-butyl, n-hexyl, and n-heptyl bristle end groups were found to be aligned perpendicular to the rubbing direction; this is a significant departure from the parallel LC alignment observed for all conventional PI materials. In contrast, rubbing of the film surfaces of Cn-PMDA-PDA PI with n-octyl bristle end groups induced LC alignment parallel to the rubbing direction. Both the perpendicular and parallel LC alignments were determined to have very larg.
The influence of afforestation and tree species on soil methane fluxes from shallow organic soils at the UK Gisburn Forest Experiment

There is growing evidence that land use is an important factor in influencing soil methane (CH4) fluxes, and afforestation is viewed as a potential tool for mitigating CH4 releases from soils. However, the influence of different tree species on soil CH4 fluxes is not well understood. We measured soil CH4 fluxes under four tree species and grassland on similar soils at the Gisburn Experimental Forest (NW England) at 2 weekly intervals over 12 months using a static chamber technique. The treatments were Norway spruce (Picea abies), Scots pine (Pinus sylvestris), oak (Quercus petraea), alder (Alnus glutinosa) and grassland. Positive soil CH4 fluxes were observed from grassland plots (average 4.6 kg/ha/year) and negative fluxes from all four tree species (average of all tree species −0.5 kg/ha/year). There were, however, no statistically significant differences between individual treatments. Soil water table depth and moisture content had the greatest influence on soil CH4 fluxes. It is possible that the afforestation of shallow organic and/or poorly drained soils such as these may have a relatively low capacity for mitigating CH4 fluxes. Although methanotrophic bacteria may exist (i.e. there is the potential for oxidation), they may not be able to dominate due to their requirements for specific environmental conditions.
Sum rules for exchange and correlation potentials

Two recent papers [S. Liu, P. W. Ayers, and R. G. Parr, J. Chem. Phys. 111, 6927 (1999); A. Gorling, Phys. Rev. Lett. 83, 5459 (1999)] have stated that ∫∇2νxc(r)dr=4π, where νxc(r) is the exchange-correlation potential of density functional theory. Here, we derive this sum rule and related rules such as ∫∇2νx(r)dr=4π and ∫∇2νc(r)dr=0, where νx(r) and νc(r) are the exchange and correlation components of νxc(r). Using similar methods, we derive the sum rule for the “screening” portion of the exchange-correlation potential and also “generalized” sum rules for νc(r) and the “response” portion of the exchange-correlation potential, vxcresponse(r). From the sum rule for vxcresponse(r), we deduce the asymptotic decay of the density response of the hole-correlation function. We conclude by discussing the probable utility of these results for the development of new exchange-correlation functionals.
Examining Manganese Dioxide Graphite Connectivity in Alkaline Electrolytes

Electrochemical impedance spectroscopy has been used to characterize various electrode constructions employing electrolytic manganese dioxide (EMD), the active material used in alkaline manganese dioxide cathodes. The electrodes varied in their access to electrons necessary for reduction. The results suggest that establishing an effective three-phase boundary between EMD, graphite, and the alkaline electrolyte is essential for low impedance behavior. Furthermore, the processes of proton and electron insertion into the structure to cause reduction must occur in close proximity to one another, implying a commercial cathode performance dependence on factors such as mixing, packing, and EMD and graphite particle size. Evidence is also presented to support localization of proton-electron pairs within the structure, rather than delocalization, which is apparent in the literature, as well as the extent to which electrolyte can penetrate into the porous EMD structure.
Combinatorial Study of Sn1 − x Co x ( 0 < x < 0.6 ) and [ Sn0.55Co0.45 ] 1 − y C y ( 0 < y < 0.5 ) Alloy Negative Electrode Materials for Li-Ion Batteries

Using combinatorial and high-throughput materials science methods, we have studied thin-film libraries of Sn 1 - x Co x (0 < x < 0.6) and [Sn 0 . 5 5 Co 0 . 4 5 ] 1 - y C y (0 < y < 0.5) alloy negative electrode materials forLi-ion batteries. Over one hundred compositions have been studied carefully by X-ray diffraction and electrochemical methods. The Sn 1 - x Co x system is found to be amorphous for 0.28 < x < 0.43. For 0.43 < x < 0.6, the amorphous phase coexists with electrochemically inactive crystalline Co 3 Sn 2 . Amorphous materials with x = 0.4 show a specific capacity of 650 mAh/g, but differential capacity, dQ/dV, vs potential is not stable vs cycling indicating irreversible atomic-scale changes in the alloy, most likely due to tin aggregation. Adding carbon to this system, for example in the [Sn 0 . 5 5 Co 0 . 4 5 ] 1 - y C y (0 < y < 0.5) library, has a number of positive effects. First, all alloys with 0.05 < y < 0.5 are amorphous, with carbon directly incorporated within the amorphous phase. Second, the addition of carbon increases, not decreases, the specific capacity from about 670 ′ 15 mAh/g for y = 0.05 to 700 ′ 15 mAh/g for y = 0.4. Third, compositions with y ≅ 0.4 show differential capacity vs potential curves that do not change during charge-discharge cycling, indicating that such alloys are stable on the atomic scale and hence are extremely good candidates for long cycle life. Stability increases with carbon content up to y = 0.4.
Synthesizing Nanoscale Iron Particles for Rapid and Complete Dechlorination of TCE and PCBs

Transformation of halogenated organic compounds (HOCs) by zero-valent iron represents one of the latest innovative technologies for environmental remediation. For example, iron can be used to construct a reactive wall in the path of a contaminated groundwater plume to degrade HOCs. In this paper, an efficient method of synthesizing nanoscale (1−100 nm) iron and palladized iron particles is presented. Nanoscale particles are characterized by high surface area to volume ratios and high reactivities. BET specific surface area of the synthesized metal particles is 33.5 m2/g. In comparison, a commercially available Fe powder (<10 μm) has a specific surface area of just 0.9 m2/g. Batch studies demonstrated that these nanoscale particles can quickly and completely dechlorinate several chlorinated aliphatic compounds and a mixture of PCBs at relatively low metal to solution ratio (2−5 g/100 mL). Surface-area-normalized rate constants (KSA) are calculated to be 10−100 times higher than those of commercially availa.
Study of Pressure and Temperature Effects on Asphaltene Stability in Presence of CO2

In the prolific literature about asphaltenes, the effects of temperature and pressure on their stability are subjects of discussion. A new high-pressure cell, requiring a very small amount of sample and with wide working conditions, has been built in order to study the asphaltene phase behavior after injection of various gases and precipitants. A filtration technique is used to conclude on the effects of temperature, pressure, and composition. The precipitant used in this work is CO2. Two crude oils (from South America and the Middle East) were studied up to 383 K and 60 MPa. It was found for both oils that asphaltenes were more soluble when temperature was decreased and pressure was increased in the presence of a gas component. These effects were discussed with simple principles of thermodynamics.
Polymer Solar Cells Using Single-Wall Carbon Nanotubes Modified with Thiophene Pedant Groups

Single-wall carbon nanotubes (SWCNT) have attracted great interest for applications in a variety of research areas, including electronics and functional materials. However, a good dispersion of these materials in polymer matrices is a demanding factor in order to obtain more homogeneous and less bundled films for constructing optoelectronic and electrochemical devices. In this report we describe a covalent modification with thiophene groups located at the edges and at defects in SWCNT to modify the interaction with the polymer matrix aiming at its application in solar cells. The modified SWCNT and its composites with poly(3-octylthiophene) were characterized by Raman, infrared, UV−vis, and luminescence spectroscopies and cyclic voltammetry. The best bulk heterojunction solar cell was obtained using 5 wt % of the modified carbon nanotube (SWCNT-THIOP) and shows open circuit voltage (VOC), short-circuit current (Isc), and efficiency (η) of 0.75 V, 9.5 μA cm-2, 0.184%, respectively.
Electrochemical growth and properties of LaMn1−xCoxO3 (0 < x ≤ 1) single crystals

Single crystals of LaMn1−xCoxO3 (0 < x < 1) with distorted perovskite structure have been obtained by the electrodeposition technique at anode from flux melt using Cs2MoO4‐MoO3 binary system as solvent. An investigation of magnetic and electrical properties of the obtained crystals as well as its comparison with those for ceramic samples of the same composition were carried out. A much weaker interplay between magnetic and electrical properties and a smaller ∼8% magnetoresistance were found in the ternary oxide crystals slightly doped by Co on the verge of transition to ferromagnetic state in comparison to the data have been reported for LaMnO3+δ single crystals. (© 2003 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Experimental Measurement and Correlation of Solubility Data and Thermodynamic Properties of Protocatechuic Acid in Four Organic Solvents

Using a thermostated reactor and UV/vis spectrophotometer analysis, the solubility of protocatechuic acid (PA) in ethanol, methanol, methyl acetate, and ethyl acetate was measured from (293.15 to 318.15) K at atmospheric pressure. The effect of solvent type and temperature on the solubility are discussed. The relative solubility of protocatechuic acid in different solvents was determined in descending order to be xmethanol > xethanol > xmethyl > xethyl. The experimental solubility data of the solutes (PA) in four pure solvents was correlated with the modified Apelblat equation and semiempirical Buchowski–Ksiazczak λh equation. Dissolution standard molar enthalpy ΔsolH° (kJ·mol–1), Gibbs energy ΔsolG° (kJ·mol–1), and entropy ΔsolS° (J·mol–1·K–1) of protocatechuic acid were estimated using the solubility data:
Time evolution of the free surface of ultrathin copolymer films

Optical microscopy and X-ray reflectivity have been used to investigate the behavior of ultrathin films of a symmetric diblock poly(styrene-b-methyl methacrylate) (P(S-b-MMA)) copolymer deposited on a silicon substrate. Thick films of such a copolymer exhibit, at equilibrium, a multilayer structure where thelamellae, of thickness L, are oriented parallel to the substrate and the PS and PMMA blocks are located respectively at the air/polymer and substrate/polymer interfaces. The influence of the thickness constraints on the morphology of the free surface has been studied. For copolymer whose moleculer weight M w is 91 500, spin-coated films with thicknesses less then the lamellar period have been annealed under vacuum at 170°C
Redox reactions of 3'-azido-3'-deoxythymidine (AZT) and interaction of its OH-derived radical with bilirubin and riboflavin: A pulse radiolysis study

Using the technique of pulse radiolysis, redox studies of 3′-azido-3′-deoxythymidine (azidothymidine or AZT) with hydrated electron and hydroxyl radicals, generated in phosphate-buffered aqueous medium, are reported. The hydrated electron reacts with AZT (k = 1.9 × 1010 dm3 mol-1 s-1) to generate transients with absorption maxima at 300 and 340 nm. The hydroxyl radical adds to AZT to generate transients with absorption maxima at 310 and 365 nm, with formation rate constant of 9.0 × 109 dm3 mol-1 s-1 as observed at 310 and 365 nm. The secondary radical 6-hydroxy-5-yl-azidothymidine, formed in the reaction of AZT with hydroxyl radical, reacts with bilirubin to give a transient of bilirubin with bimolecular rate constant of 1.8 × 108 dm3 mol-1 s-1. In the reaction of hydroxyl radical with AZT/riboflavin pair, an . H atom transfer from riboflavin to the 6-hydroxy-5-yl-azidothymidine is observed. Reactions of OH-derived radicals of thymine with bilirubin and riboflavin are similar to that of AZT. Possible mechanisms are proposed for the observed reactions.
Novel generalized Born methods

The generalized Born (GB) model is a simple continuum dielectric model for the calculation of molecular electrostatic solvation energies. It is a pairwise approximation to the solution of the Poisson equation for continuum electrostatic solvation. Key to the GB method is the calculation of Born radii for every atom in the system. We introduce two new methods for determining Born radii. The first is a two-parameter grid-based method that uses nearly the same molecular volume that is used in conventional Poisson calculations. The second is a five-parameter analytical method that utilizes a molecular volume built from a superposition of atomic functions. The analytical method, distinct from the grid-based algorithm, is amenable to force-based calculations, e.g., energy minimization and molecular dynamics. Unlike other Born radii methods, both algorithms employ a new empirically determined correction term that includes energetic effects beyond the Coulomb field approximation. With this correction term, the gr.
FT-IR STUDY OF THIRD PHASE FORMATION IN THE U(VI) OR Th(IV)/HNO3, TBP/ALKANE SYSTEMS

ABSTRACT The infrared reflectance spectra of the third phases formed in the systems UO2(NO3)2/HNO3/20%TBP in n-dodecane and Th(NO3)4/HNO3/20%TBP in n-octane gave evidence for the presence in solution of a significant amount of weakly bonded molecular nitric acid. From the correlation between the ratio of the areas of the bands at 1672 cm−1 and 1648 cm−1, characteristic of weakly intermolecularly hydrogen-bonded nitric acid and nitric acid strongly bonded to TBP, respectively, the molecular HNO3 concentration was determined. The presence of these two bands in the spectra of the third phase samples provides evidence that only part of the HNO3 is directly and strongly bound to the TBP phosphoryl group. The ratio of the weakly intermolecularly hydrogen-bonded HNO3 to that bound directly to P=O group of TBP was much higher for the uranium than for the thorium third phases formed under comparable conditions. The estimated amounts of the weakly intermolecularly hydrogen-bonded HNO3 were about 47% and 30% of the total HNO3 present in the uranium and thorium systems, respectively. In the uranium third phase, the TBP hemisolvate of HNO3 (TBPċ2HNO3) was recognized as the predominant species with accompanying very small amount of monosolvate (TBPċHNO3). In the thorium system the hemisolvate of HNO3 was also present, but the monosolvate was found to be the major species. When the thorium concentration in the third phase was increased, a conversion of monosolvate into hemisolvate was observed. Analysis of the infrared spectra for both systems indicated that the nitrate anions form bidentate chelates with the studied metals. The submitted manuscript has been created by the University of Chicago as Operator of Argonne National Laboratory (“Argonne”) under Contract No. W-31-109-ENG-38 with the U.S. Department of Energy. The U.S. Government retains for itself, and others acting on its behalf, a paid-up, nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. †Corresponding author. E-mail: borkowski@anchim.chm. anl.gov
Electron relaxation phenomena on a copper surface via nonlinear ultrashort single-photon photoelectric emission

Time-resolved single-photon photoelectric emission measurements from polycrystalline copper, using an autocorrelation system of 450 fs duration at 248 nm laser pulses, are reported. This experimental technique makes possible the direct measurement of the electron energy relaxation time at the surface as well as the evaluation of the electron - phonon scattering time in metallic samples. A nonlinear increase of the electron photocurrent versus the laser intensity is observed. This nonlinearity is attributed to the non-thermal equilibrium between the electron gas and the lattice produced by the subpicosecond laser pulses and is related to the dynamics of energy relaxation between the electrons and the lattice. The influence of the non-thermal electrons on the photoemission and their thermalization time is discussed. Our experimental results may be explained by a model based on the Fowler - Dubridge equation for photocurrent and on thermal-balance equations between electron and lattice subsystems.
Effect of Temperature and Moisture Content on Thermal Conductivity of Four Types of Meat

The thermal conductivity of four different types of meats (Veal, Hashi, Noeimi and Najdi) was determined for a temperature range of 5–40°C and moisture content range of 30–75% (wet basis). Thermal conductivity increased almost linearly with the increasing levels of both temperature and moisture content. Multiple regression models with high R2 < 0.91) values were developed to correlate thermal conductivity as a function of temperature and moisture content. Statistical analysis revealed that both variables had significant effect on thermal conductivity of meats.
Dry-peelable temporary protective coatings from waterborne self-crosslinkable sulfourethane–silanol dispersions

Novel temporary protective coatings were prepared by the addition of release additives to waterborne polyurethane dispersions. New types of self-crosslinkable sulfourethane–silanol (SUS) dispersions were utilized as the peelable coatings. These dispersions are stable, low-volatility organic chemical (VOC) waterborne dispersions that spontaneously crosslink upon drying without extra additives or processing steps. Tensile strengths up to 6000 psi with elongations between 300–600% were obtained for the crosslinked films. The adhesion of the films to a variety of substrates can be controlled by the addition of hydrophilic additives, including glycerol, oligomers of glycerol, and poly(ethylene glycol) derivatives. Alternatively, hydrophobic additives that are water dispersible, such as paraffin waxes and sulfated castor oil, can also be used to control adhesion. In addition, this technique can be utilized for the release of films derived from a wide variety of waterborne urethane dispersions, including carboxylated polyurethane ureas. The removable coatings are useful for the temporary protection of plastic surfaces during thermoforming processes. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 91: 1443–1449, 2004
Investigation of the interaction force between Cryptosporidium parvum oocysts and solid surfaces.

Interaction force profiles between single Cryptosporidium parvum oocysts and positively charged, silane-coated silica particles were measured in aqueous solutions using an atomic force microscope. The oocysts were immobilized for the measurements by entrapment in Millipore polycarbonate membranes with 3 μm pore size. Experiments were performed in both NaCl and CaCl2 solutions at ionic strengths ranging from 1 to 100 mM. For both electrolytes, the decay length of the repulsive force profile was found to be nearly independent of the ionic strength and always much larger than the theoretical Debye length of the system. In addition, the magnitude of the force was found to be essentially the same for both electrolytes, suggesting that the long-range repulsive forces are primarily steric in nature. These results support the theory that the interaction force between oocysts and surfaces is controlled by an outer, weakly charged or uncharged carbohydrate layer. Measurements were also performed with oocysts that h.