Miracle-dz/UniFAR-FTUs huggingface dataset:
Multifunctional core–shell Co–SiO2 nanowires via electrodeposition and sol–gel techniques

In this work, we propose a new strategy for the synthesis of multifunctional nanowires using a combination of sol–gel and electrodeposition techniques, based on a two-step procedure. First of all, nanotubes of SiO2 are synthesized via a sol–gel technique using polycarbonate membranes as templates. Homogenous nanotubes are obtained after centrifugation and thermal annealing. Afterwards, a ferromagnetic cobalt core is grown using potentiostatic electrodeposition. Finally, the core–shell Co–SiO2 nanowires are released by dissolving the template using wet-etching. These nanodevices can be used for many detection and sensing purposes. As a proof of concept, we have developed a pH nanosensor by including a pH-sensitive organic dye in the SiO2 shell. The sensing principle is based on the optical response of the organic dye towards pH when added to a solution. The magnetic core allows the recovery of the nanosensors after use. These nanowires can therefore be used as recoverable pH nanosensors. By changing the dye molecule to another molecule or receptor, the procedure described in the paper can be used to synthesize nanodevices for many different applications.
REVIEW OF THE MAIN METHODS OF CRITICAL PARAMETER ESTIMATION: APPLICATION TO THE CORRELATION OF PALMITIC ACID / SUPERCRITICAL CARBON DIOXIDE PHASE EQUILIBRIUM DATA

An overview of the most commonly used group contribution methods for the estimation of critical parameters is given. In this context, examples of the application of these methods for carbon dioxide/palmitic acid equilibrium data are discussed. A thermodynamic correlation method for the solubility of palmitic acid in supercritical carbon dioxide is used. The correlation employs the Peng-Robinson (PR) cubic equation of state (EOS) and different group contribution methods (GCM) to estimate critical parameters. The mixture energy parameter of the EOS, αή, is evaluated by the van der Waals (VDW) mixing rules (MR). The binary interaction parameter, K,2, and the solid sublimation pressure, /V", are optimally fitted using the experimental solubility data. The saturation pressure deduced from this model is compared with data reported in the literature. Furthermore, the consequences of the choice of GCM on our calculations are discussed. The results from our model demonstrate that the agreement between measured and calculated solubility data depends on the GCM chosen. It is also shown that the use of a method that does not use group contributions can provide better results than methods that do involve such contributions.
Multiscale modeling of self -assembly in surfactant systems

of Dissertation Presented to the Graduate School of the University of Florida in Partial Fulfillment of the Requirements for the Degree of Doctor of Philosophy MULTISCALE MODELING OF SELF-ASSEMBLY IN SURFACTANT SYSTEMS By Gunjan Mohan August 2008 Chair: Dmitry I Kopelevich Major: Chemical Engineering Dynamics of self-assembly and structural transitions in amphiphilic systems play an important role in numerous processes, ranging from production of nanostructured materials to transport in biological cells. Theoretical and computational modeling of these processes is extremely challenging due to the large span of lengthand time-scales involved. This study is focused on developing multiscale models for self-assembly in surfactant systems, with the main emphasis on the development of a multi-scale model for formation and disintegration of nonionic and ionic spherical micelles. The study is performed under the assumption that the dominant mechanism of micelle formation (disintegration) is a stepwise addition (removal) of single monomers to (from) a surfactant aggregate. Different scales of these processes are investigated using a combination of coarse-grained molecular dynamics simulations, analytical and numerical solution of stochastic differential equations, and a numerical solution of kinetic equations. The removal of a surfactant from an aggregate is modeled by a Langevin equation for a single reaction coordinate, the distance between the centers of mass of the surfactant and the aggregate, with parameters obtained from a series of constrained molecular dynamics simulations. We demonstrate that the reverse process of addition of a surfactant molecule to an aggregate involves at least two additional degrees of freedom: orientation of the surfactant molecule and micellar microstructure. Formation of the ionic micelles involves one more degree of freedom which describes collective dynamics of the charges in the
A facile and simple synthetic strategy for the preparation of modified NiAl-layered double hydroxide as nanofiller for L-phenylalanine containing poly(amide-imide)s based nanocomposites

In this article, we reported a facile and effective strategy for assembling hybrid diacid-modified NiAl-layered double hydroxide (LDH) and poly(amide-imide)/modified NiAl-LDHs nanocomposites (PAI/LDH NCs) under ultrasonic irradiation. An optically active amino acid containing PAI was prepared by direct polycondensation reaction of N,N′-(pyromellitoyl)-bis-L-phenylalanine and 4,4′-diaminodiphenylsulfone in molten tetrabutylammonium bromide. NiAl-LDH intercalated with biosafe amino acid containing dicarboxylate was synthesized in one step by co-precipitation method under ultrasonic irradiation. The materials have been characterized by X-ray diffraction, Fourier transform infrared spectroscopy, field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), and thermogravimetry analysis techniques. The homogeneous dispersion of NiAl-LDH in the PAI matrices was observed by TEM and FE-SEM techniques. The results of the thermal analysis show an improvement in the thermal behavior of the PAI/LDH NCs in comparison with the neat polymer.
Flavonoids from the Leaves of Prunus spinosa L.

Two new flavonol glycosides, quercetin 3-O-(2"-O-β-D-glucopyranosyl)-α-L-arabino-furanoside and kaempferol 3-O-(2"-O-E-p-coumaroyl)-α-L-arabinofuranoside-7-O-α-L-rhamnopyranoside, were isolated from the leaves of Prunus spinosa L. The known compounds, kaempferol, quercetin, and their 3-arabinofuranosides, kaempferol 7-rhamnopyranoside, kaempferol 3,7-dirhamnopyranoside, and kaempferol 3-arabinofuranoside-7-rhamnopyranoside were also identified. Structural elucidation was performed by means of chemical methods and UV, IR, LSI MS, 1D and 2D NMR spectroscopy.
Extraction, détermination structurale et valorisation chimique de phycocolloïdes d' algues rouges

Les algues rouges secretent parfois en abondance des polysaccharides extracellulaires. Ces polymeres, outre des masses moleculaires elevees, presentent generalement des compositions heterogenes et des taux de sulfatation variables. Malgre l'attention grandissante que leur porte l'industrie pharmaceutique en raison de leurs proprietes biologiques parfois attractives, la structure de ces polymeres a ete peu, ou pas, etudiee ce qui limite leur valorisation potentielle. Apres avoir definit les conditions optimales de son extraction, nous avons mis en œuvre une strategie d'analyse structurale du polysaccharide extracellulaire secrete par Porphyridium cruentum, une algue rouge unicellulaire. Ce polysaccharide a ete fragmente en ayant recours a une serie de degradations chimiques selectives (degradation au lithium et degradation alcaline en milieu reducteur) ou non (hydrolyse acide, autohydrolyse, acetolyse). L'analyse par spectroscopie RMN-1H et 13C des differents fragments oligosaccharidiques liberes nous a permis d'en preciser la structure et de proposer pour lui une unite de repetition dodecasaccharidique comme base de sa structure. Enfin, l'analyse comparee des compositions des polysaccharides secretes par Porphyridium cruentum et Rhodella reticulata, deux micro-algues rouges de la famille des Porphyridiaceae, tout en completant notre etude, en precise la position chimiotaxonomique. Dans une derniere partie, les colloides d'algues rouges ont servi de substrats a la synthese, par acylation avec des chlorures d'acide gras, de materiaux plastiques hydrophobes potentiellement biodegradables. La mise en œuvre d'un plan d'experience nous a permis d'optimiser la reaction d'acylation de l'agar et d'en identifier les parametres les plus influents afin de permettre la synthese de materiaux dont les proprietes physicochimiques sont comprises entre celles des acetates de cellulose et du polyethylene basse densite
Induktion smektischer Phasen in binären Mischungen nematischer Flüssigkristalle / Induction of Smectic Phases in Binary Mixtures of Nematic Liquid Crystals

Binary mixtures of 4-n-alkyl- and 4-w-alkyloxy-4′-cyanobiphenyls with homologous 4,4′-di-n-alkyloxy-azoxybenzenes exhibit the induction of a smectic phase. From some of the phase diagram it can be concluded that the induced smectic phases (ISP) are of the SA type, and this is probably true for all mixtures studied. The thermal stability of the induced smectic phases can not be correlated with the clearing temperatures of the single components, but a dependence on their ability to form smectic phases is very likely. It is postulated that mixtures of terminal polar and terminal non polar nematic liquid crystals are generally able to exhibit the induction of smectic phases.
Asymmetric Baeyer–Villiger Reactions Using Whole‐Cell Biocatalysts

Many organic syntheses are very dependent on oxidation reactions, sometimes as a means of introducing asymmetry, but in all cases to increase the functionality of molecules. However, achieving effective large-scale oxidations in a synthetic scheme is not easy. In many cases hazardous oxidants are required. Indeed, the combination of high-energy oxidants together with flammable solvents (which are often required as a reaction medium for poorly water-soluble molecules) is a major safety concern for large-scale industrial production [1]. In addition,many oxidations are not particularly selective, leading to low yields and difficult product recovery problems. An alternative approach is to use oxygen as the oxidant, water as the solvent, and a biocatalyst to carry out the oxidation. Biocatalytic methods for the introduction of oxygen afford synthetic chemistry with safe and green methods of oxidation (via molecular oxygen or air) in addition to the possibility of regioor stereoselective conversions. This powerful combination means that they are an attractive step in many potential pharmaceutical synthetic schemes and also for the synthesis of some lower value compounds. Furthermore, the mild conditions of biological catalysis will protect existing functionality. A range of biocatalysts, including monoand dioxygenases, exist to introduce one or two oxygen atoms of the oxygen molecule in an asymmetric way [2]. One of the most useful groups of oxygen-introducing enzymes are the Baeyer–Villiger monooxygenases (BVMOs), which permit the introduction of oxygen into a linear or cyclic ketone to create an ester or a lactone, respectively, in an analogous way to the well-established chemical Baeyer–Villiger reaction. Heteroatom oxidations (such as sulfoxidation) can also be carried out using BVMOs. Today, around 30 different types of BVMOs have been identified, which can be used to carry out useful synthetic chemistry to introduce oxygen undermild and aqueous conditions. An increasing number of substrates have been shown to undergo biocatalytic asymmetric Baeyer–Villiger oxidationwith excellent enantioselectivity [3, 4]. BVMO biocatalysts are still themost advantageous catalysts for asymmetric Baeyer–Villiger
Novel functionalized polymers for nanoparticle formulations with anti cancer drugs

The chemistry and structure of Poly (glycerol adipate) facilitate its substitution with various pendant functional groups leading to modifications of the physicochemical properties of the polymer. Modified backbones then can be selected based upon the properties of the compound to be incorporated. Thus, this could be explored as a drug delivery system without many of the limitations of commercially available polymers. The aim of this study was investigate whether various polymers and drugs interact in a specific manner and whether the nature of these interactions influence the physicochemical characteristics of the particles and their drug loading and release profile. By investigating drugs belonging to various classes and with different properties it has been possible to correlate properties associated with drugs and pendant functional groups of the polymer which are ultimately responsible for the drug loading and release characteristics. For some drug polymer formulations, good loading and controlled release rates have been achieved. Compared to various conventional polymer systems reported for nanoparticle formulations, poly (glycerol adipate) polymers have also demonstrated the ability to control rate of release of highly water soluble drugs, even from the most hydrophilic polymer backbone in its unsubstituted form. From the various drug loading and release profiles it has been demonstrated that, unlike reported literature, particle size is not the primary factor influencing drug release over the relatively small range of particle sizes seen in this study. Neither is the water solubility of either the drug or the polymer alone responsible for the rapid and uncontrolled release profile from nanoparticles. Thus, Drug polymer interactions are more likely to influence drug loading and release and unlike common reports in the literature, hydrophilicity, molecular weight or concentration of polymer / drug are less likely to affect these parameters in isolation.
Mise en évidence d’effets de seuil dans la transmission de la politique monétaire sur l’activité réelle

This paper deepens the relationship between real interest rate changes and output. Based on Shen (2000), we outline that there exists an inflation threshold effect mechanism in the monetary policy transmission. More precisely, we show that the sign and the magnitude of the real interest rate multiplier may depend on the current inflation regime. We use Hansen (1996) method to estimate this inflation threshold mechanism. Generally speaking, empirical results for France and Italy suggest that inflation thresholds sometimes are statistically significant and support monetary policy asymmetries found by Cover (1992). Lastly, the knowledge of these threshold values may be crucial for monetary policy implementation in Economic Monetary Union. JEL classification : C15, C22 , E51, E52
Routes to tin chalcogenide materials as thin films or nanoparticles: a potentially important class of semiconductor for sustainable solar energy conversion

Thin films of tin chalcogenides may find use in photovoltaic devices, and nanocrystals of such materials are attractive due to their tuneable band gaps and potential in photovoltaic, photonic and optoelectronic applications. Tin(II) sulfide (SnS) is of particular interest due to its band gap of 1.4 eV, which is similar to that of silicon (1.1 eV). This review seeks to provide an overview of the chemical routes currently known for the synthesis of tin chalcogenides as thin films or in nanocrystalline form, as well as exploring routes to copper zinc tin sulfide (CZTS) and mesoporous tin chalcogenides.
OPTIMUM NITROGEN AND PHOSPHORUS FERTILIZATION IN HYBRID CAPSICUM

Capsicum requires heavy fertilization at early stage for optimum plant growth and high yield. Of the three major nutrients, nitrogen is very important for the plants. It is an essential part of nucleic acids and chlorophyll molecules (Devlin, 1972). The deficiency of nitrogen checks the growth and reduces the yield. Both phosphorus and potassium are essential to plant growth, the former is known to participate in energy transfer and carbohydrate metabolism, whereas the latter takes part in number of biological reactions and translocation of food material to different plant parts. The optimization of nitrogen and phosphorus doses is necessary for improving the efficiency of nitrogen and phosphorus and to get maximum yield of good quality fruits in capsicum.
Development of a Paint Mixing Machine

Paint production is an important process which has wide applications in several fields. The report entails the development of a paint production machine. The machine essentially comprises of a 3 kW variable speed electric motor, a ball valve, a pillow bearing, 3 mm thick stainless steel cylindrical tank and a stirrer assembly that rotates in the tank with four baffles to control the splashing. Performance evaluation of the developed paint production machine was carried out with the production of emulsion paint at different stir speed ranging from 100-500 rpm. From the result obtained, increase in stir speed beyond 300 rpm leads to decrease in paint viscosity as well as production time. In conclusion the machine has a fast production time than conventional machine while also being environmentally friendly and cost effective.
Initial results from dissolution rate testing of N-Reactor spent fuel over a range of potential geologic repository aqueous conditions

Hanford N-Reactor spent nuclear fuel (HSNF) may ultimately be placed in a geologic repository for permanent disposal. To determine whether the engineered barrier system that will be designed for emplacement of light-water-reactor (LWR) spent fuel will also suffice for HSNF, aqueous dissolution rate measurements were conducted on the HSNF. The purpose of these tests was to determine whether HSNF dissolves faster or slower than LWR spent fuel under some limited repository-relevant water chemistry conditions. The tests were conducted using a flowthrough method that allows the dissolution rate of the uranium matrix to be measured without interference by secondary precipitation reactions that would confuse interpretation of the results. Similar tests had been conducted earlier with LWR spent fuel, thereby allowing direct comparisons. Two distinct corrosion modes were observed during the course of these 12 tests. The first, Stage 1, involved no visible corrosion of the test specimen and produced no undissolved corrosion products. The second, Stage 2, resulted in both visible corrosion of the test specimen and left behind undissolved corrosion products. During Stage 1, the rate of dissolution could be readily determined because the dissolved uranium and associated fission products remained in solution where they could be quantitatively analyzed. The measured rates were much faster than has been observed for LWR spent fuel under all conditions tested to date when normalized to the exposed test specimen surface areas. Application of these results to repository conditions, however, requires some comparison of the physical conditions of the different fuels. The surface area of LWR fuel that could potentially be exposed to repository groundwater is estimated to be approximately 100 times greater than HSNF. Therefore, when compared on the basis of mass, which is more relevant to repository conditions, the HSNF and LWR spent fuel dissolve at similar rates.
A PESTICIDE CALIBRATION AND MIXlNG PROGRAM FOR HAND-HELD CALCULATORS'

: This paper reports on a software program written for a hand-held Hewlett-Packard HP-41 calculator that aids in pesticide mixing and sprayer calibration. Advantages offered by the calculator system over similar personal computer programs include reduced cost, field portability, and the ability to input spraying parameters in a combination of English and metric units. Furthennore, the calculator program is less rigid in input requirements and allows changes in individual sprayer parameters without reentry of unchanged parameters that personal computer programs require.
Effects of oxygenated fuel and cetane improver on exhaust emission from heavy-duty DI diesel engines

Smoke emission from single-cylinder DI and IDI diesel engines was shown to strongly depend on oxygen content in fuel regardless of oxygenate molecular structure. Thus, with cetane improver and oxygenate used in combination in a proportion determined from blending properties and potential cost for modern heavy-duty DI diesel engines were assessed. The combined use of nitrate type cetane improver with glycol ether type oxygenate reduced particulate, HC, and CO emission but not that of NOx. Particulate reduction depended on oxygenate content. Oxygenate at less than 5% with cetane improver seldom worsened volume-based fuel economy compared with the base hydrocarbon fuel. 18 refs., 11 figs., 5 tabs.
Should allogeneic hematopoietic stem cell transplantation be a treatment option for patients with Nijmegen breakage syndrome? Belarusian experience

and alive disease free within 6 and 13 months after transplantation. HSCT from a sibling donor was performed 9.8 years ago in a boy without malignancy but with infectious and autoimmune complications. They all received reduced-intensity conditioning regimens, which were well tolerated. Conclusions: NBS needs to be diagnosed early. With respect to progressive immunodeficiency and high risk of lymphoid malignancies with uncertain curative prospective, an al-lo-HSCT approach with reduced-intensity conditioning could be proposed as a treatment option for NBS patients with severe defects of immune function, and for all NBS patients with lymphoid malignancy in 1 st complete remission.
Evaluation of Breadfruit and Cocoyam Starches as Exodisintegrants in a Paracetamol Tablet Formulation

Breadfruit and cocoyam starches have been evaluated as exodisintegrants in formulated paracetamol tablets and compared with corn starch. Tablet disintegration time and the hardness-friabrasion/disintegration time ratio were used to assess the disintegrant efficacy of the starches. Generally, it was found that the rank order of efficacy was corn starch > cocoyam starch > breadfruit starch. However, tablets containing the experimental starches had higher hardness values than those containing corn starch and may be useful in particular tablet formulations.
Synthesis of Highly Luminescent, Bio‐Compatible ZnO Quantum Dots Doped with Na

Na doped ZnO quantum dots of average size 6 nm were prepared using wet chemical route at room temperature without any capping agents and the formation of nanoparticles is confirmed by transmission electron microscope (TEM) and x‐ray diffraction (XRD) analysis. Optical band gap of ZnO: Na is found to be blue shifted with decrease in size due to quantum size effects. Incorporation of Na in ZnO quantum dots is confirmed using inductively coupled plasma atomic emission spectroscopy (ICP‐AES). Strong room temperature photoluminescent emissions in the violet region due to native defects of ZnO and yellow region resulting from substitutional incorporation of Na in the Zn site was observed from the ZnO: Na quantum dots. Both emission wavelength and integral intensity of emission in the visible region can be well controlled by adjusting the concentration of the alkaline precursor used as the dopant. Highly luminescent bio‐friendly Na doped ZnO quantum dots can be used as fluorescent probes in biomedical applications.
Enhancement of Hydrothermal Stability and Hydrophobicity of a Silica MCM-48 Membrane by Silylation

An MCM-48 membrane was prepared on a porous α-alumina support by hydrothermal synthesis. The silylation with trimethylsilane and triethylsilane was used to enhance hydrothermal stability and hydrophobicity of the MCM-48 membrane. The studies of X-ray diffraction, Fourier transform infrared (FTIR), nitrogen adsorption, and water adsorption were carried out using an MCM-48 powder to characterize the pore surface of MCM-48. The FTIR study indicates that the silyl group was substituted for the Si−OH group on the pore surface of MCM-48. The pore sizes of the nonsilylated and the silylated MCM-48 were 2.4 (nonsilylated), 1.9 (trimethylsilylated), and 1.8 nm (triethylsilylated). The water adsorption study showed that the pore surface of MCM-48 significantly changed to hydrophobic by silylation. The nonsilylated and the trimethylsilylated MCM-48 membranes were used for the separation of an ethanol/water mixture. The separation factor was 16 through the silylated membrane, although that of the nonsilylated membran.