Miracle-dz/UniFAR-FTUs huggingface dataset:
Femtosecond pulse width control in microscopy by two‐photon absorption autocorrelation

A technique for both the measurement and the control of the pulse width at the focal point of a high‐NA lens, based on two‐photon absorption interferometric autocorrelation, is presented. The technique is applied to measuring the pulse broadening induced on a pulse propagating through a high‐NA lens system for several objectives. It is known that the pulse width may increase by up to ≅50% of its original value by propagation through an objective which has wide field compensation for spherical and chromatic aberrations. The two‐photon absorption autocorrelation technique allows adjustment of the actual pulse width in the focus of a high‐NA lens through pre‐chirp compensation. The pulse width is shown to be almost independent of penetration depth into the sample, while the amplitude of the autocorrelation signal shows a strong decrease with depth. The ability to both measure and control the actual pulse width under strong focusing conditions is of direct importance to, among others, two‐photon absorption imaging approaches.
Determination of N-nitrosamines from diesel engine crankcase emissions

An artifact-free method for the analysis of nitrosamines in diesel engine crankcase emissions was developed. The method involved trapping volatile nitrosamines in either a pH 4 phosphate-citrate buffer solution or ThermoSorb/N cartridge, followed by extraction of the traps with appropriate solvents, concentration, and analysis of the concentrate on a gas chromatograph and/or high-pressure liquid chromatograph interfaced to a TEA Analyzer. Validation of the reliability of the method included the intentional addition of amines and/or nitogen oxides. Confirmation of the identity of the nitrosamines was by high-resolution mass spectrometry. Detection limits, based on a 60-L sample, were 0.1 . mu.g/m/sup 3/ for N-nitrosodimethylamine and 0.16 . mu.g/m/sup 3/ for N-nitrosomorpholine.
Vibrational tuning of the Hydrogen transfer in malonaldehyde – a combined FTIR and Raman jet study†

Tunnelling splittings in vibrationally excited malonaldehyde are derived from complementary FTIR and Raman spectra utilising jet cooling and matrix isolation. Values from 0 to 69 cm−1 (i.e. from complete quenching of the proton tunnelling to an acceleration by a factor of 3) are firmly assigned, underscoring a strong coupling between hydrogen transfer and vibrational excitation. More tentative assignments involve even larger effects for the O⋅⋅⋅O breathing vibration. The results are discussed with respect to the corresponding normal modes and compared to previous theoretical predictions.
Mesoscale structures at complex fluid–fluid interfaces: a novel lattice Boltzmann/molecular dynamics coupling

Complex fluid–fluid interfaces featuring mesoscale structures with adsorbed particles are key components of newly designed materials which are continuously enriching the field of soft matter. Simulation tools which are able to cope with the different scales characterizing these systems are fundamental requirements for efficient theoretical investigations. In this paper we present a novel simulation method, based on the approach of Ahlrichs and Dunweg [Ahlrichs and Dunweg, Int. J. Mod. Phys. C, 1998, 9, 1429], that couples the “Shan–Chen” multicomponent lattice Boltzmann technique with off-lattice molecular dynamics to simulate efficiently complex fluid–fluid interfaces. We demonstrate how this approach can be used to study a wide class of challenging problems. Several examples are given, with an accent on bicontinuous phase formation in polyelectrolyte solutions and ferrofluid emulsions. We also show that the introduction of solvation free energies in the particle–fluid interaction unveils the hidden, multiscale nature of the particle–fluid coupling, allowing us to treat symmetrically (and interchangeably) the on-lattice and off-lattice components of the system.
Viscous Dissipation Effects on Developing Laminar Flow in Adiabatic and Heated Tubes

A finite-difference solution is presented for the problem of laminar developing flow in a circular tube, allowing for viscous dissipation and viscosity variation with temperature. Predictions of temperature and pressure under adiabatic conditions compare reasonably with published experimental and analytical results. Polak's postulation of a hot slip zone is considered. Heat transfer, with constant wall heat flux, is also studied and it is concluded, with reference to some recent experimental data, that it is not necessary to postulate viscous dissipation as being a substantial aiding effect. Predicted Nusselt numbers are, in fact, reduced by allowing for the effect.
In vitro evaluation of biological liquids adsorption on dental materials

Dental materials are subjected to various conditions such as pH and temperature of biological fluids, mechanical stress etc. having effects on both oral health and restoration success. In particular, surface energy of dental materials and their morphology are very important to control the processes at interface with biological liquids. Our study is focused on in vitro evaluation of certain dental materials from point of view of biological liquids absorption based on known method undertaken from physics. Main parameters which characterize the adhesion properties of dental materials were evaluated using general formulas and contact angle measurements. The morphology of the chosen materials was performed by atomic force microscopy (AFM) working in taping mode. Also, using AFM phase images were compared the chemical composition uniformity of analyzed surfaces. The samples investigated were certain commercial composites (Adoro, ArtGlass, Gradia and Ceramage) and ceramics (InLine, Duceram and Heraceram) and the studied biological liquids were water and artificial saliva. Results showed significant differences concerning the interface established between oral liquids and analyzed dental materials. Due to surface properties, the adhesion work of studied liquids onto the composites surface is lower comparing with one of the ceramic materials.
Solubilization in nonionic reverse micelles in carbon dioxide

Phase behavior data and FTIR spectra along with solubilities and solvatochromic shifts of ionic indicator dyes are reported for binary, ternary and quaternary systems composed of pentaethylene glycol n-octyl ether (C 8 E 5 ), CO 2 , water, and n-pentanol as a function of temperature, pressure and composition. With the addition of n-pentanol as a cosurfactant, the water to surfactant ratio, W 0 , reaches values as high as 12. As water is added further, a surfactant-rich phase precipitates due to micelle-micelle interactions. Ionic dyes are soluble at levels of 0.03 mM, far in excess of the negligible solubility in pure CO 2
AlGaN/GaN heterostructures on insulating AlGaN nucleation layers

A single temperature process using AlGaN nucleation layers has been developed that produces device-quality, GaN-based materials with bilayer step surfaces. The AlGaN nucleation layer is deposited by flow modulation organometallic vapor phase epitaxy at temperatures in excess of 1000 °C, where GaN and AlGaN films can be subsequently grown. We have optimized this process on both sapphire and SiC substrates, where the conditions for nucleation are found to be quite different. For growth on SiC, aluminum mole fractions ranging from 6% to 35% result in featureless surfaces. Optimizing the alloy composition and thickness of the nucleation layer on SiC allows the deposition of GaN buffer layers exceeding 5 μm without the formation of cracks. A minimum of 15% aluminum in the nucleation layer is required for smooth growth on sapphire substrates. High room temperature two-dimensional electron gas mobilities of 1575 and 1505 cm2/Vs with sheet charge densities of 1.0×1013 and 1.4×1013 cm−2 are observed in undoped AlG.
Transparent hybrid inorganic/organic barrier coatings for plastic organic light-emitting diode substrates

We have developed a coating technology to reduce the moisture permeation rate through a polycarbonate plastic film substrate to below 1×10−5g∕m2∕day using plasma-enhanced chemical vapor deposition. Unlike other ultrahigh barrier (UHB) coatings comprised of inorganic and organic multilayers, our UHB coating comprises a graded single hybrid layer of inorganic and organic materials. Hardness and modulus of the inorganic and the organic materials are tailored such that they are similar to those of typical glass-like materials and thermoplastics, respectively. In this barrier structure, the composition is periodically modulated between the inorganic and the organic materials, but instead of having distinctive interfaces between two materials, there are “transitional” zones where the coating composition changes continuously from one material to another. Our UHB coating also has superior visible light transmittance and color neutrality suitable for the use of display and lighting device substrates.
Simultaneous adsorption of lead (II) and 3,7-Bis(dimethylamino)-phenothiazin-5-ium chloride from aqueous solution by activated carbon prepared from plantain peels

AbstractActivated carbon has been prepared from plantain peels unripe, a biowaste from confectioneries for investigation of its adsorption efficiency in binary system of lead (II) and 3,7-Bis(dimethylamino)-phenothiazin-5-ium chloride as common water pollutants. The prepared carbons were characterized using nitrogen adsorption, FTIR spectroscopy, and XRD. Batch adsorption experiments were conducted to determine most probable conditions of adsorption maximum via varying adsorbent concentration, initial pollutants concentration, and pH of adsorption. Adsorption was found to be dependent on the factors studied. Favorable adsorption was recorded at initial concentration of 300 mg/dm3 after 30 min. Equilibrium and kinetic data were modeled using well-known isotherm and kinetic models. Results deviated largely from Langmuir monolayer, Freundlich multilayer and extended Langmuir isotherm models suggesting a mutual interaction of the adsorbates in solution which is shown with data obtained from competitive adsorp.
The Optical Properties of Metal Nanoparticles: The Influence of Size, Shape, and Dielectric Environment

The optical properties of metal nanoparticles have long been of interest in physical chemistry, starting with Faraday's investigations of colloidal gold in the middle 1800s. More recently, new lithographic techniques as well as improvements to classical wet chemistry methods have made it possible to synthesize noble metal nanoparticles with a wide range of sizes, shapes, and dielectric environments. In this feature article, we describe recent progress in the theory of nanoparticle optical properties, particularly methods for solving Maxwell's equations for light scattering from particles of arbitrary shape in a complex environment. Included is a description of the qualitative features of dipole and quadrupole plasmon resonances for spherical particles; a discussion of analytical and numerical methods for calculating extinction and scattering cross-sections, local fields, and other optical properties for nonspherical particles; and a survey of applications to problems of recent interest involving triangula.
Brain and Acute Leukemia, Cytoplasmic Gene Overexpression as a Prognostic Factor in Egyptian De novo Adult Acute Myeloid Leukemia Patients

Abstract Background: Brain and acute leukemia, cytoplasmic (BAALC) gene is identified on chromosome 8q22.3 and implicated in normal hematopoiesis. BAALC gene overexpression is associated with poor outcome. Methods: We aimed to evaluate BAALC expression in de novo Egyptian acute myeloid leukemia (AML) cases and determine its prognostic value. We recruited 70 patients with de novo AML diagnosed and treated at clinical pathology and medical oncology departments, fulfilling inclusion criteria in our prospective study and evaluated BAALC expression level. Patients received induction therapy. The Institutional Review Board approved our study. Results: The mean age was 39.2 years ± 11.87, (18–60) with a male/female ratio of 3/2. The cutoff value of BAALC as a prognostic factor was 2.11 with sensitivity (86.1%), specificity (80%), positive predictive value (88.6%), and negative predictive value (76.2%.) (P < 0.001), 43 (61.4%) patients had high BAALC expression. Seventy-two percent of patients in the low BAALC group achieved complete remission (CR) compared to 42.1% in high BAALC expression group (P = 0.03). Patients with low BAALC (123.1 ± 4.9) had longer mean survival time than high BAALC group (45.85 ± 5.1) (P = 0.000). Conclusion: High-BAALC expression is an adverse prognostic factor, with a higher risk of relapse, lower CR rates, and lower survival in Egyptian de novo AML patients.
Spectral Investigation and In Vitro Antibacterial Evaluation of NiII and CuII Complexes of Schiff Base Derived from Amoxicillin and α-Formylthiophene (αft)

Two new metal complexes of general formula M(Haαft)2 [M = and ] of asymmetrical Schiff base ligand (HL = Haαft) derived from amoxicillin and α-formylthiophene have been prepared and characterized by various physicochemical and spectral techniques. Molar conductance measurement indicates nonelectrolytic nature of the metal complexes. FT-IR spectral study reveals the ligation of metal ions at two different nitrogen [NN] donor sites of Haαft. FT-IR and electronic absorption spectral evidences suggest distorted tetrahedral and square planar geometry for and complexes, respectively. The structure optimization by molecular mechanics (MM) force field calculation through ArgusLab 4.0. 1 version software also supports the concerned geometry of the complexes. The cell dimensions as suggested by XRPD study, (6.753 A), (13.904 A), (20.122 A), α (142.76°), β (106.580°), and γ (72.4343°) for and (24.2547 A), (6.6371 A), (5.5047 A) (α = β = γ = 90°) for complexes, are in good agreement with their triclinic and orthorhombic crystal systems. Particle size calculation by Scherrer’s formula indicates nanocrystalline nature of the complexes. The antibacterial sensitivity study suggests promising activities of Haαft (Ligand) and M(Haαft)2 complexes against four clinical pathogenic bacteria, namely, E. coli, P. vulgaris, P. aeruginosa, and S. aureus, though being less active than the standard drug amikacin.
Spontaneous formation of highly concentrated water-in-oil emulsions (gel-emulsions)

Water-in-Oil-type gel-emulsions (or highly concentrated emulsions) are spontaneously formed from oil-swollen micellar solutions or oil-in-water (O/W) microemulsions in a water/tetraoxyethylene dodecyl ether/oil system with an abrupt increase in temperature. The phase change occurs from water-continuous microemulsion to water-in-oil (W/O) gel-emulsion via a lamellar liquid crystal and a bicontinuous surfactant phase (L3 phase). Hence, the spontaneous curvature of the surfactant layer is continuously changed with temperature change because the gel-emulsion consists of a reverse micellar solution and an excess water phase. In a narrow temperature range above the single L3-phase region, there is a two-phase region consisting of L3 and an excess water phase (W) in which emulsions are extremely unstable. The electroconductivity curve as a function of temperature monotonically decreases with increasing temperature when the final temperature is high and the temperature change is fast. If the temperature change is.
Antibody Drug Conjugates

Abstract Antibody drug conjugates (ADCs) are chemically engineered drugs consisting of monoclonal antibody (mAb) and cytotoxic compound attached chemically by a linker. Upon attachment to a specific target antigen, ADC enters into the cell and payload is released, which finally leads to cell killing. Payloads are broadly divided into tubulin-disrupting agents and DNA-damaging agents. Most of the current ADCs utilize humanized mAbs, and fully human mAbs are under investigation. ADC development process is accelerated by better designing and bio-engineering methods.
Extraction of Metal Ions with Task Specific Ionic Liquids: Influence of a Coordinating Anion

Hydrophobic ionic liquids (ILs) were generated by association between a cationic ester derivative of betaine and bis(trifluoromethylsulfonyl)imide (Tf2N−) or dicyanamide (Dca−) anions. Extraction of Cu(II), Ni(II), Pb(II), and Cd(II) from water was performed with these ILs at room temperature. The use of Dca− anion greatly enhances the extraction efficiency of IL phase towards metal ions extraction. The metal could be back-extracted from the ionic liquid phase with aqueous EDTA solutions. The metal extractability of the ionic liquid after the back-extraction is equivalent to that of the fresh mixture showing that ionic liquid can be reused for several extraction and back-extraction cycles.
Synthesis and Taste of Some Analogs of Stevioside

Some analogs of stevoiside (I), a sweet diterpene glycoside, were synthesized. Coupling of hepta-O-acetylsteviolbioside with hexa-O-acetyl-2-O-α-l-rhamnopyranosyl-α-d-glucopyranosyl bromide, hexa-O-acetyl-2-O-α-l-rhamnopyranosyl-α-d-galactopyranosyl bromide and hexa-O-acetyl-2-O-α-l-quinovopyranosyl-α-d-galactopyranosyl bromide, in the presence of silver carbonate-celite in dichloroethane followed by deacetylation yielded steviol-13-O-β-sophoroside-19-O-(2-O-α-l-rhamnopyranosyl-β-d-glucopyranosylester) (VIII), steviol-13-O-β-sophoroside-19-O-(2-O-α-l-rhamnopyranosyl-β-d-galactopyranosylester) (IX) and steviol-13-O-β-sophoroside-19-O-(2-O-α-l-quinovopyranosyl-β-d-glucopyranosylester) (X), respectively. Methylation of steviolbioside heptaacetate followed by deacetylation yielded steviolbioside-19-O-methylester (XII). Reduction of stevioside and XII with hydrogen gave dihydrostevioside (XIV) and dihydrosteviolbioside-19-O-methylester. The relative sweetness of I, VIII, IX, X, steviolbioside, XII, dihydrostev.
Influence of mycosporine‐like amino acids (MAAs) on UV absorption by particulate and dissolved organic matter in La Jolla Bay

Experimental work with cultures of the red tide dinoflagellate Lingulodinium polyedrum suggested mycosporine‐like amino acids (MAAs) are a component of the organic matter excreted by cells. MAAs in dissolved organic matter (DOM) also may have a large influence on absorption of ultraviolet (UV) light through the water column. To test these hypotheses in a natural setting, data were collected from March 1995 through April 1996 in coastal waters off California, U.S.A. During this time, a large red tide of L. polyedrum occurred in March and April 1995. In this field study, we show that MAAs are a quantifiable component of DOM, particularly during the period following the red tide events. Absorption spectra of particulate organic matter (POM) and DOM samples revealed disproportionately high levels of UV absorption relative to visible wavelengths. UV absorption by POM at 330 nm was linearly related to phytoplankton biomass (between 0–10 µg chlorophyll [Chl] a L−1), measured as Chl a, accounting for 71% of the variability in absorption. Chromatographic analyses revealed the presence of various MAAs in both POM and DOM pools. MAAs were observed in 83% (n = 53) and 47% (n = 13) of the samples analyzed with concentrations ranging from 0 to 2.75 µM (0–696.00 µmol µg−1 Chl a) in the POM and 0 to 111.40 nM in the DOM fraction. Absorption by dissolved MAAs, as calculated from the measured concentrations, correlated with DOM UV absorption (r2 = 0.77) and accounted for up to 10% of the total DOM absorption at 330 nm. Thus, MAAs are a small but quantifiable component of the DOM pool in the field and contribute to UV absorption.
Secondary ion mass spectroscopy determination of oxygen diffusion coefficient in heavily Sb doped Si

The diffusion coefficient of oxygen in heavily antimony doped Czochralski Si was measured in the temperature range 950–1100 °C by using secondary ion mass spectroscopy (SIMS). The diffusion coefficient, obtained from SIMS oxygen concentration profiles in samples submitted to out diffusion, shows no dependence on antimony concentration. The combined data give an activation energy of 2.68 eV, which is in good agreement with published results.
Intermolecular potentials for branched alkanes and the vapour-liquid phase equilibria of n-heptane, 2-methylhexane, and 3-ethylpentane

Configurational bias Monte Carlo calculations in the Gibbs ensemble have been used to perform direct simulations of the vapour-liquid phase equilibria of three heptane isomers: n-heptane, 2-methylhexane, and 3-ethylpentane. The simulations were carried out using isotropic united-atom representations of the Lennard-Jones type for the CH3, CH2 and CH groups. The aim of these calculations is to extend our force field, previously derived for linear alkanes, to branched alkanes by fitting new interaction parameters for methyl and ethyl branches.
Potential of granulated modified nanozeolites Y for MTBE removal from aqueous solutions: Kinetic and isotherm studies

Potential of granulated modified nanozeolites Y for MTBE removal from aqueous solutions: Kinetic and isotherm studies Adsorption of methyl tert-butyl ether (MTBE) from aqueous solutions by granulated modified nanozeolites Y was investigated. Nanozeolite Y powders were converted into granulated zeolites and subsequently modified with two cationic surfactants (20 mmol/dm3), to be used as adsorbent. Granulated nanozeolites were characterized by BET surface area analysis, elemental analysis and X-ray diffractometer. -Hexade-cyltrimethylammonium (HDTMA-Cl) modified granulated zeolite had more effective performance than N-cetylpyridinium bromide (CPB) modified granulated zeolite. The most conventional adsorption isotherms and kinetic models were applied to describe MTBE adsorption and reaction dynamic, respectively. The equilibrium sorption data fitted the Langmuir 2 isotherm model and the kinetic study was followed the pseudo-second-order model. The maximum adsorption capacities for HDTMA-Cl modified zeolite and CPB modified granulated zeolite were 333.33 and 142.8 mg/g, respectively as calculated by the Langmuir model. This study demonstrated that the removal of mtbe by granulated modified nanozeolites Y is a promising technique.
Three‐Dimensional Porous Heterometallic‐Organic Frameworks: Synthesis, Luminescent, Magnetic, Adsorption and Hydrogen Storage Properties

Two three-dimensional (3D) porous heterometal-organic frameworks (HMOFs) with isostructures, [Zn2Cd(OH)(BTC)2(DMF)(H2O)2]·(H3O) (JUC-155A) and [ZnCo2(OH)(BTC)2(DMF)(H2O)2]·(H3O) (JUC-155B) (JUC=Jilin University China, BTC=1,3,5-benzenetricarboxylate and DMF=N,N-dimethylformamide), have been successfully synthesized by utilizing two kinds of 3d metal ions (Zn(II) and Cd(II) or Zn(II) and Co(II)) under conformable conditions. X-ray crystallography reveals that both HMOFs consist of trinuclear metal-carboxylate secondary building units (SBUs), and these SBUs are interlinked by the phenyl groups of BTC ligands to generate 3D open-frameworks with two types of channels of about 6.3 and 10.7 A. Both HMOFs show the multifunctional properties in photoluminescence and adsorption. JUC-155B also exhibits an antiferromagnetic interaction, owing to the presence of dinuclear cobalt centers. Additionally, the high-pressure hydrogen storage of JUC-155A has been also examined at 77 K. By using mixed metal centers in clustered SBUs, it is a good strategy to construct those isostructures with heterometallic systems, and it is believed that the presence of such HMOFs will further facilitate the exploration of multifunctional materials.