Miracle-dz/UniFAR-FTUs huggingface dataset:
LIQUIDS ON SOLID SURFACES: STATIC AND DYNAMIC CONTACT LINES

A contact line is formed at the intersection of two immiscible fluids and a solid. That the mutual interaction between the three materials in the immediate vicinity of a contact line can significantly affect the statics as well as the dynamics of an entire flow field is demonstrated by the behavior of two immiscible fluids in a capillary. It is well known that the height to which a column of liquid will rise in a vertical circular capillary with small radius, a, whose lower end is placed into a bath, is given by (2(j/apg) cos (), where (j is the surface tension of the air/liquid interface, f) is the static contact angle as measured from the liquid side of the contact line, p is the density, and g is the magnitude of the accelera­ tion due to gravity. Thus, depending on the value of the contact angle, e, which is a direct consequence of the molecular interactions among the three materials at the contact line, the height can take on any value within the interval [ 2(J/apg, 2(J/apg]. In a sense, the influence of the contact angle is indirect: the contact angle, in capillaries with small radii, controls the radius of curvature of the meniscus which, in turn, regulates the pressure in the liquid under the meniscus. It is this pressure that determines the height of the column. In a similar manner, the dynamic contact angle can influence the rate of displacement of tbe meniscus through the capillary. The pressure drop
Visualizing Influenza Virus Membrane Fusion: Inhibition and Kinetics

The influenza virus hemagglutinin (HA) surface protein is a primary antigenic target for neutralization of viral infection. HA also mediates membrane fusion between the virus and a cell, which is the first critical step during infection. Traditional techniques to study infection neutralization by antibodies or the membrane fusion process rely on ensemble measurements, confounding the precise mechanism of infection neutralization and obscuring transient conformational intermediates. This dissertation describes advances made in a fluorescence microscopy-based single-particle fusion assay to overcome the limitations of ensemble measurements in these types of studies. Virus particles are labeled to visualize lipid mixing between a virus and a target membrane formed upon a glass or polymer support. Optionally, the viral lumen can be labeled to visualize the subsequent release of viral contents. Recently isolated antibodies recognizing highly conserved epitopes on the HA protein that are critical for the protein’s fusogenic capacity are able to neutralize infection from a broad range of influenza subtypes. Binding of these antibodies to a virus prior to inducing fusion with a target membrane resulted in inhibition of the fusion process, directly confirming one mechanism of infection neutralization. Fluorescently labeling the antibodies allowed for functional stoichiometric measurements that indicate a virion can be rendered non-fusogenic without the need for antibodies to bind and inactivate every HA present on the viral surface. A molecular model of fusion inhibition is proposed wherein coordination between neighboring HA is disrupted that leads to neutralization of the entire particle. Dissertation Advisor: Professor Antoine M. van Oijen Author: Jason John Otterstrom
Modification of Fe3O4 superparamagnetic nanoparticles with zirconium oxide; preparation, characterization and its application toward fluoride removal

Fe3O4 superparamagnetic nanoparticles (NPs) modified with zirconia (ZrO2) were synthesized (Fe3O4@ZrO2) using a chemical co-precipitation method and used as a nanoadsorbent in the removal of excessive fluoride from aqueous solutions. This adsorbent combines the advantages of magnetic nanomaterial and F− sorbent floc, with magnetic separability and high affinity toward fluoride, which provides distinctive merits including easy preparation, high adsorption capacity, and easy isolation from sample solutions by the application of an external magnetic field. The prepared Fe3O4@ZrO2 magnetic nanoparticles were characterized by XPS, XRD, SEM, EDXA, TEM, BET, FTIR, and VSM techniques. Affecting parameters on the removal of fluoride, such as mass ratio of Fe3O4 to ZrO2, solution pH, adsorption time, initial fluoride concentration, and co-existing anions were investigated. The high adsorption capacity calculated by the Langmuir equation was 158.6 mg g−1 for Fe3O4@ZrO2 (2 : 5) in pH 2.5. The adsorption capacity increased with temperature and the kinetics followed a pseudo-second-order rate equation. The enthalpy change (ΔH0) and entropy change (ΔS0) was 25.02 kJ mol−1 and 3.76 J mol−1 K−1, which substantiates the endothermic and spontaneous nature of the fluoride adsorption process. Furthermore, the residual concentration of fluoride using Fe3O4@ZrO2 NPs as adsorbents could reach 0.3 mg L−1 with an initial concentration of 20 mg L−1. Also application of Fe3O4@ZrO2 NPs for the removal of fluoride from real samples was tested. All of the results suggested that the Fe3O4@ZrO2 NPs with a strong and specific affinity toward fluoride could be an excellent adsorbent for treatment of fluoride contaminated water.
Epitaxial Rare Earth Oxide Growth on GaN for Enhancement-mode MOSFETs

Epitaxial growth of rare earth oxides are investigated as gate dielectric materials for GaN-based MOSFET devices. Real-time monitoring of La2O3 and Sc2O3 growth by MBE shows different growth progression of the epitaxial oxides. XPS analysis provides further detail about the growth of the oxides. Electrical results show a >10x decrease in leakage current density for a 50 Ǻ La2O3 epitaxial dielectric as compared to a significantly thicker (600 Ǻ) Si3N4 dielectric on GaN, despite the high lattice mismatch between the La2O3 and GaN (21%). The performance enhancement is believed to be due in part to a native Ga2O3 passivation of the GaN during the initial stage of the epitaxial oxide growth.
Semana da Escola de Engenharia October 24 - 27, 2011 EFFECT OF EXTRACTION SOLVENTS ON THE CONTENT OF BIOACTIVE COMPOUNDS FROM Larrea tridentata LEAVES

Three organic solvents (methanol, ethanol, and acetone) at four different concentrations (90, 70, 50, and 30% v/v) were used for extraction of hormone-like phenolic compounds (phytoestrogens) from Larrea tridentata leaves, namely, nordihydroguaiaretic acid (NDGA), kaempferol and quercetin. Besides the phytoestrogens extraction the antioxidant potential and the content of total phenols in the produced extracts were also determined. Phytoestrogens recovery varied considerably according to the solvent and concentration used for extraction. The highest NDGA, quercetin and kaempferol contents (46.96 ± 3.39, 10.46 ± 1.01 and 87.00 ± 6.43 mg/g DW plant, respectively) were recovered using 90% (v/v) methanol. All the produced extracts showed antioxidant capacity, but those obtained using 70% and 90% (v/v) methanol had significantly higher ( p<0.05) FRAP (ferric reducing antioxidant power) values (2.55 ± 0.09 and 2.73 ± 0.11 mM FE(II)/ g DW plant, respectively) than the remaining ones. These findings allow concluding that 90% (v/v) methanol can be successfully used for the bioactive compounds (phytoestrogens) recovery from Larrea tridentata leaves.
Synthesis of graphene by surface wave plasma chemical vapor deposition from camphor

We demonstrate synthesis of graphene using the solid precursor camphor in a microwave excited surface wave plasma chemical vapor deposition technique. Highly sublimely camphor was introduced into the plasma chamber in the vapor phase along with Ar and uniform plasma formation was obtained. Rapid deposition of a graphene film on Cu foil was achieved at a relatively low temperature (<600 °C). Raman spectroscopy and transmission electron microscopy clearly showed that the deposited film on Cu foil consist of few‐layer graphene. Fully flexible transparent electrode was fabricated by transferring the graphene film with excellent properties for device application.
Synthesis and antimicrobial activities of 1-(3-benzyl-4-oxo-3H-quinazolin-2-yl)-4-(substituted)thiosemicarbazide derivatives

A series of 1-(3-benzyl-4-oxo-3 H- quinazolin-2-yl)-4-(substituted) thiosemicarbazides ( AS1–AS10 ) were obtained by the reaction of 2-hydrazino-3-benzyl quinazolin-4(3 H) -one ( 6 ) with different dithiocarbamic acid methyl ester derivatives. The key intermediate, 3-benzyl-2-thioxo-2,3-dihydro-1 H -quinazolin-4-one ( 4 ), was obtained by the reaction of benzyl amine ( 1 ) with carbon disulphide and sodium hydroxide in dimethyl sulphoxide to give sodium dithiocarbamate, which was methylated with dimethyl sulphate to yield the dithiocarbamic acid methyl ester ( 2 ) and condensation with methyl anthranilate ( 3 ) in ethanol yielded the desired compound ( 4 ) via the thiourea intermediate. The SH group of compound ( 4 ) was methylated in the favourable nucleophilic displacement reaction with hydrazine hydrate, which afforded 2-hydrazino-3-benzyl-3 H- quinazolin-4-one ( 6 ). The IR, and 1H- and 13C-NMR spectra of these compounds showed the presence of peaks due to thiosemicarbazides, carbonyl (C=O), NH and aryl groups. The molecular ion peaks of the quinazolin-4-one moiety ( m / z 144) were observed in all the mass spectra of the compounds AS1–AS10 . Elemental (C, H, N) analysis satisfactorily confirmed purity and elemental composition of the synthesized compounds. All the synthesized compounds were screened for their antimicrobial activity against selective gram positive and gram negative bacteria by agar dilution method. In the present study, compounds AS8 and AS9 emerged as the most active compounds of the series.
Photocatalytic Hydrogen Evolution on ZnS−CuInS2−AgInS2 Solid Solution Photocatalysts with Wide Visible Light Absorption Bands

Pt-loaded ZnS−CuInS2−AgInS2 solid solutions showed photocatalytic activities for H2 evolution from aqueous solutions containing SO32- and S2- as sacrificial reagents under visible light irradiation (λ ≥ 420 nm). The crystal structures of the solid solutions were either zinc blende or wurtzite, depending on the composition. The diffuse reflectance and photoluminescence spectra of the solid solutions were shifted monotonically to longer wavelengths as the ratio of MInS2 (M = Cu and Ag) to ZnS increased, indicating that the energy band structure of the sold solution was controllable by the change in the composition. The ZnS−CuInS2−AgInS2 solid solutions exhibited absorption bands that were longer in wavelength than those for the ZnS−CuInS2 and ZnS−AgInS2 solid solutions, which is probably due to interactions between the Cu 3d and Ag 4d orbitals. The photocatalytic activity for H2 evolution was much improved by low-temperature synthesis (773−873 K) and the loading of Ru cocatalysts. The Ru-loaded Cu0.25Ag0. 25.
Principales rasgos de la sociedad de la información en España: e-España 2001

El presente articulo resume las principales conclusiones del trabajo realizado en la Universidad Autonoma de Madrid, bajo el titulo "La Sociedad de la Informacion en Espana. e-Espana 2001", por el siguiente equipo de investigacion: Directora. M. Paloma Sanchez. Investigadores: Asuncion Lopez, Cristobal Torres, Cristina Chaminade. Ayudantes de Investigacion: M. Carmen Torano, M. Jose Buron. El trabajo completo puede consultarse en: www.uam. es/iade. Una parte del mismo ha sido publicado por la Fundacion Retevision.
É possível a utilização de medidas do nível de reabsorção óssea alveolar na maxila e mandíbula para a estimativa de destreza manual? Um estudo piloto

Forensic Anthropology aims to estimate, through the analysis of bone remains, characteristics such as age, sex, ancestry, stature and handedness to establish the anthropological profile. This pilot study, based on the hypothesis that the dominant side, which is related to handedness, may influence some bone structures, aimed to test the estimation of handedness by analyzing the level of alveolar bone resorption in the maxilla and mandible, based on possible bone asymmetry between the teeth and their contralateral teeth, according to the lateral dominance exercised by a person caused by biomechanical trauma during toothbrushing throughout life. The sample consisted of 30 skeletons from the Forensic Anthropology Laboratory of the Center of Legal Medicine. The measurement of *ricardohenrique@usp.br REVISTA CRIMINALÍSTICA E MEDICINA LEGAL V.5 | N.1 | 2020 | P. 27 A 33 | ISSN 2526-0596 DOI: 10.51147/RCML043.2020
A Simple Thin-Layer Chromatographic Fingerprint Method for Distinguishing Between Radix Paeoniae Rubra and Radix Paeoniae Alba

Abstract According to different processing methods and growth conditions, the dry roots of Paeonia lactiflora Pallas are generally classified as Radix Paeoniae Alba (Bai-shao) and Radix Paeoniae Rubra (Chi-shao), which have been officially recorded under different monographs in all editions of Chinese Pharmacopoeia. Although deriving from the same plant origin, the two herbs have individual chemical characteristics, which eventually result in their different efficacies. To better understand their clinical effects, it is important to display the similarity and differentiation of entire chemical patterns of the two drugs in detail. In the present study, the high performance thin layer chromatographic fingerprints combining digital scanning profiling were developed using two suites of mobile phases and derivatization reagents for the ‘high polarity component’ and ‘lipophilic component’ fractions contained in the herbal drugs, respectively. The unique properties of the HPTLC fingerprints were validated by analyzing twelve batches of Bai-shao and Chi-shao. Although the HPTLC fingerprint images of the two herbs were similar, significant differences including the presence or absence of characteristic bands and the respective different ratios of the chemical distribution could directly distinguish between Bai-shao and Chi-shao. Furthermore, the corresponding digital scanning profiles can be used as an easy tool for quantifiable comparison among the samples.
Electrochemical Growth of Iron Oxide Thin Films with Nanorods and Nanosheets for Capacitors

Porous iron oxide films with nanorods and nanosheets were anodically deposited onto the nickel substrates by a plating bath of Fe(NH 4 ) 2 (SO 4 ) 2 -6H 2 O, sodium acetate, and sodium sulfate at room temperature. Nucleation and growth mechanism of the iron oxide film was found to be an instantaneous nucleation and growth of two-dimensional cylindrical iron oxide. X-ray diffraction patterns show that the as-deposited iron oxide is orthorhombic α-FeOOH, which converts into rhombohedral Fe 2 O 3 after annealing at temperature above 300°C. Annealing temperatures influences both the chemical composition and grain size of the film, and consequently determines the capacitive behavior of the film investigated by cyclic voltammetry in 1 M Li 2 SO 4 aqueous solution. An optimal annealing temperature of 300°C is obtained in terms of the film's specific capacitance. Morphology of the film deposited at a current density higher than 0.125 mA cm -2 shows nanosheets, while the film deposited at a current density lower than 0.125 mA cm -2 shows nanorods. Specific capacitance of a film with nanosheets is higher than that of a film with nanorods.
High Catalytic Activity of Palladium for Metal-Enhanced HF Etching of Silicon

Metal-enhanced HF etching of Si is an electroless method used to produce porous Si. Such etching generally uses not only metal-modified Si but also an oxidizing agent, such as hydrogen peroxide or metal ions. Pd exhibits high activity in enhancing the HF etching of Si without an oxidizing agent even under dissolved-oxygen-free and dark conditions. Electrolessly deposited Pd particles on n-type Si enhance the HF etching of Si but produce no porous layer. Patterned Pd films localize the etching under the boundary of the Pd deposited areas, and thus Pd can produce a microetch pattern on Si with a simple immersion in the HF solution. This etching reaction is explained by electron injection into the conduction band of Si due to the Pd-enhanced anodic oxidization of Si with water and the cathodic hydrogen evolution on Pd with the injected electrons.
Structural and conformational study of substituted triazines by 15N NMR and x‐ray analysis

Since the discovery of the multi‐drug resistance (MDR) phenotype, reversant agents of various origins and structures have been extensively studied. In the present work, two series of related 2,4,6‐tris(amino)‐s‐triazines with different MDR potential1 were studied by 15N NMR spectroscopy. The 15N nucleus allows an easy identification of two protonation sites and an estimation of the electronic effects. 15N was further found to be well suited to demonstrate the occurrence at room temperature of restricted rotation around the Ar—N bonds between the amino substituents and the s‐triazine ring and to measure the rotational barriers. Crystal structures were determined by x‐ray analysis of the compounds at various stages of protonation. The effects of the protonation at the sterically less hindered nitrogen of the triazine, detected by the NMR study, were confirmed in the solid‐state structures. In the crystals, the orientation of the N—H and N—C bonds of the NHallyl substituent with respect to the triazine ring does not depend on the protonation state and corresponds to one of the conformations postulated in solution. © 1998 John Wiley & Sons Ltd.
Phase transitions and ferroelectrics: revival and the future in the field

It appeared worthwhile to us to present a state-of-the-art look at the field of ferroelectrics. We are certainly not attempting to provide a complete review of all aspects of the field of ferroelectrics over the last years but we wish to transport a flavour of the current excitement in the field through the (subjective) choice of four specific examples of current interest: (i) Piezoelectrics and the morphotropic phase boundary, (ii) Multiferroics, (iii) The effect of high pressure on ferroelectrics and (iv) Strain-engineering in ferroelectric oxide thin films. For each topic we will try to work out both current interesting approaches and an outlook into future challenges. Throughout our discussion, the reader is referred to a list of significant review articles, books and papers in the field.
Green synthesis of nano platinum using naturally occurring polyphenols

We report a simple one step green synthesis of platinum nanoparticles using naturally occurring plant polyphenols obtained from an aqueous extract of Terminalia chebula. No surfactant/stabilizing agent was employed in this method. All the platinum nanoparticles obtained were in the size range of less than 4 nm. The polyphenols responsible for reduction were identified using high performance liquid chromatography. We have demonstrated reduction of Pt+4 to Pt0 and also how the oxidised polyphenols were responsible for stabilizing platinum nanoparticles.
A New Living Emulsion Polymerization Mechanism: Episulfide Anionic Polymerization

The anionic ring-opening polymerization of episulfides has been successfully applied in emulsion. The polymerization proceeded with a living mechanism but was characterized by a limiting conversion, presumably arising from the increase in viscosity in the polymer. To the knowledge of the authors, only two other cases of living anionic polymerization in emulsion are known (silicones and cyanoacrylates); the additional novelty presented by episulifdes is the ease of end-functionalization. Furthermore, the emulsion polymerization allowed the preparation of highly stable particles, which, due to their PEGylated surface and their appropriate diameter, can be applied in the biomedical field as nanocarriers.
Spectroscopic Studies and Electronic Structure Description of the High Potential Type 1 Copper Site in Fungal Laccase: Insight into the Effect of the Axial Ligand

A variety of spectroscopic techniques combined with density functional calculations are used to describe the electronic structure of the nonaxially ligated, trigonal planar type 1 copper site in three fungal laccases with substantially different type 1 copper reduction potentials. These methods are also applied to a mutant of the high-potential Polyporus pinsitis laccase in which the nonligating axial phenylalanine (Phe) is changed to methionine (Met). Optical absorption, circular dichroism, and magnetic circular dichroism spectroscopies of all three fungal laccases reveal that, relative to the classic blue copper protein plastocyanin, the ligand field strength at the type 1 Cu center and the oscillator strength of the charge-transfer transitions increase. Resonance Raman spectra show that the envelope of Cu−S(Cys) stretching bands is shifted to higher energy in the fungal laccases, implying a stronger Cu−S(Cys) bond. Differences in the EPR spectra of the fungal laccases and plastocyanin are found to resu.
Synthesis, Characterization, and Anti‐amoebic Screening of Core‐Modified 5,20‐Bis{2‐{[(alkyl)(alkyl′)amino]methyl}ferrocen‐1‐yl}‐10,15‐diphenyl‐21,23‐dithiaporphyrin (=1,1″‐(10,15‐Diphenyl‐21,23‐dithiaporphine‐5,20‐diyl)bis[2‐{[(alkyl)(alkyl′)amino]methyl}ferrocene]) Derivatives

The synthesis of the first bis-ferrocenyl-substituted core-modified porphyrins, 5,20-bis{2-{[(alkyl)(alkyl′)amino]methyl}ferrocen-1-yl}-10,15-diphenyl-21,23-dithiaporphyrin derivatives 6a–6j, via a multistep route is reported (Schemes 1, 2, and 4). The synthesis was carried out through acid-catalyzed (BF3⋅Et2O) condensation of 1,1″-[thiophene-2,5-diylbis(hydroxymethyl)]bis[2-{[(alkyl)(alkyl′)amino]methyl}ferrocenes] 4a–4j with 2,2′-[thiophene-2,5-diylbis(phenylmethylene)]bis[1H-pyrrole] (5b) in presence of 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (=4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile; DDQ). Characterization of the compounds was done at each step by means of various spectroscopic techniques. The final compounds were screened for in vitro anti-amoebic activity against the strain HM1 : IMSS of E. histolytica (Table 2).
Conformational Analysis of Macromolecules. III. Helical Structures of Polyglycine and Poly‐L‐Alanine

A theoretical study of the regular conformations of isolated helices (i.e., with no intermolecular interactions) of polyglycine and poly‐L‐alanine has been carried out. The energy of each helical conformation was calculated by using semiempirical potential functions for the barriers to internal rotation about single bonds, nonbonded interactions, dipole—dipole interactions between the amide groups, and hydrogen bonding between backbone NH and CO groups. All bondlengths and bond angles were held fixed, and the amide group was fixed in the planar trans conformation. Within the accuracy of the calculations, the right and left‐handed α‐helical conformations were found to be those of lowest energy for polyglycine. For poly‐L‐alanine, the right‐handed α helix was found to be the most stable conformation. This conformation was stabilized not only by hydrogen bonding and dipole—dipole interactions, but also by the nonbonded interactions; in fact, it is the nonbonded energy which makes the right‐handed α helix mor.