Miracle-dz/UniFAR-FTUs huggingface dataset:
Synthesis and Crystal structure of [（Praseodymium）2（3,5—Binitro benzoyloxy）6（Dimethyl Sulfoxide）4]Complex

A novel one-dimensional chain complex [Pr2(bnbo)6(DMSO)4] (bnbo=3,5-binitro benzoyloxy, DMSO= dimethyl sulfoxide) with bridging carboxyl groups was synthesized and its structure has been determined by single-crystal X-ray methods. In the complex, a pair of adjacent metal ions are alternately connected by four or two carboxylate groups to form an infinite chain of 8-coordinated Pr3+ ions. The complex (Pr2C50H42N12O40S4 ) crystal system is triclinic, with space group P, a=14.2890(3), b=14.3427(3), c=20.1601(2)? ; α=76.636(1), (=84.496(1), γ=60.316(1)°, V=3491.4(1)? 3, Z=2, Mr =1861.02, Dc=1.770 g/cm3, (=1.608mm－1, F(000)=1856, the final R=0.0776 and wR=0.1724 for 8804 reflections with I > 2((I).
Italian Districts in the Furniture Industry During and After the International Economic Crisis

The furniture sector in Italy is one of the main drivers of the national economy. It has always been characterized by the strong dynamism of the companies that operate within it, historically organized in local productive agglomerations. In consideration of this important distinctive element, this research studies the Italian furniture sector by distinguishing companies based on district membership. The concept of industrial district has been studied by many researchers. However, quantitative research conducted with statistical methods useful for providing a new interpretation, in the light of recent evolutionary dynamics after the 2008 global crisis, is scarce. The main objective is to understand if there are significant differences in the profitability dynamics of Italian furniture districts located in different productive areas of the country.
Antimutagenic Activity of Falcarindiol from Peucedanum praeruptorum

A methanol extract from Peucedanum praeruptorum showed a suppressive effect on umu gene expression of the SOS response in Salmonella typhimurium TA1535/pSK1002 against the mutagen 2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide (furylfuramide). The methanol extract from P. praeruptorum was re-extracted with hexane, dichloromethane, n-butanol, and water, respectively. A suppressive compound in the hexane extract fraction was isolated by SiO2 column chromatography and identified as falcarindiol by EI-MS, IR, and 1H and 13C NMR spectroscopy. Falcarindiol exhibited an inhibition of the SOS-inducing activity of furylfuramide in the umu test. Gene expression was suppressed 75% at less than 0.15 μmol/mL, and the ID50 value was 0.10 μmol/mL. The diacetate compound of falcarindiol did not show any suppressive effect on the SOS induction of furylfuramide. Falcarindiol was also assayed with the mutagen 3-amino-1,4-dimethyl-5H-pyrido[4,3-b]indole (Trp-P-1), which requires liver-metabolizing enzymes, and showed a suppressiv.
Novel technologies for interrogating T cell recognition

The studies presented in this thesis have all involved the development of novel technologies for interrogating different aspects of antigen-specific T cell recognition. The immune system’s potential for eliminating intruding pathogens or malignancies is largely governed by the ability of T cells to specifically recognize and respond to foreign molecular structures. The activity of T cells is guided by specific interactions of the surface expressed T cell receptor (TCR) with peptides presented in the context of MHC molecules on the surface of target cells. Hence, for broad protection of virtually any encountered pathogen or cellular malignancy, the TCR repertoire of each individual must be able to recognize and adapt to an extensively large and unpredictable range of foreign peptides, while avoiding immunopathology caused by autoreactivity. The scope of this PhD has been to develop novel technologies that enable us in describing peptide-MHC-TCR interactions from a broader and more detailed view, which aims at integrating the complexity of the range of peptide-MHCs potentially recognized by T cells, as well as the cross-recognition potential of the individual T cell. The implementation of molecular barcodes as labels to trace peptide-MHC-TCR interactions provide the foundation for all the research included in this thesis. In a first study, I show that unique DNA barcodes can be used to label specific peptide-MHC multimer reagents, and subsequently enable tracing of the antigen-specificities of T cells within a heterogeneous sample. With this strategy I show that it is possible to screen for more than 1,000 different peptideMHC specificities in parallel, which provides completely new possibilities for assessing immune recognition in an individualized manner. In a second study, I discuss the advantages of assessing T cell recognition at such complexities, as well as current shortcomings. In a third study I address the cross-recognition potential of individual T cells through establishment of a technology that assess the relative affinity of a TCR to several MHC multimers carrying related peptide. This in turn enabled the identification of essential molecular interaction-points of TCRs and identification of cross-recognized peptides. The fourth study comprises a protocol which should enable other researchers to understand details of the technologies reported in study one and three, and ultimately assist them in performing the same types of analyses. The data reported in the fifth study comprise an early finding that show the simultaneous identification of peptide-MHC specificity and TCR sequence of many single cells in parallel. This will be implemented in a highthroughput format and hereby facilitate the pairing of numerous peptide-MHC specificities with the corresponding TCR sequences, which in turn can provide a first step towards resolving the relationship between the TCR sequence and the peptide-MHC binding motif. Collectively, the studies reported in this thesis provide a foundation for others to develop new and personalized
Differential interference contrast microscopy for the quantitative assessment of tissue organization

The propagation of light through complex structures, such as biological tissue, is a poorly understood phenomenon. Typically the tissue is modeled as an effective medium, and Monte Carlo techniques are used to solve the radiative transport equation. In such an approach the medium is characterized in terms of a limited number of physical scatter and absorption parameters, but is otherwise considered homogeneous. For exploration of propagation phenomena such as spatial coherence, however, a physical model of the tissue medium that allows multiscale structure is required. We present a particularly simple means of establishing such a multiscale tissue characterization based on measurements using a differential interference contrast (DIC) microscope. This characterization is in terms of spatially resolved maps of the (polar and azimuthal) angular ray deviations. With such data, tissues can be characterized in terms of their first and second order scatter properties. We discuss a simple means of calibrating a DIC microscope, the measurement procedure and quantitative interpretation of the ensuing data. These characterizations are in terms of the scatter phase function and the spatial power spectral density
Electrophysiological characterisation of neuronal components of cold sensitivity

Aberrant cold sensitivity is apparent in several neuropathies of peripheral and central origin, and is poorly treated by currently available drugs. In an attempt to understand the mechanisms of cold evoked hyperalgesia and analgesia, these studies examined the dual pro- and anti-nociceptive roles of TRPM8, a cold temperature gated channel, and the role of calcium channels within cold sensitive pathways through a combination of in vivo electrophysiology, behavioural measures and gene ablation. Blocking TRPM8 with novel antagonists revealed lamina V/VI neuronal responses to innocuous and noxious cold stimulation were conserved in naive rats. However, under neuropathic conditions inhibition of TRPM8 decreased neuronal responses to innocuous and noxious cold stimuli. This corresponded with an attenuation of behavioural hypersensitivity to innocuous cooling. Remarkably, systemically activating TRPM8 with a novel agonist resulted in identical neuronal and behavioural effects in neuropathic rats. Menthol is known to relieve various pain conditions as well as inducing hyperalgesia. Unlike in human subjects, menthol fails to induce central sensitisation in naive rats, whereas in neuropathic rats topical menthol exerts some similar effects to the systemically dosed TRPM8 agonist. Gene ablation identifies a role of α2δ-1, an auxiliary calcium channel subunit, in cold and mechanical sensory pathways, likely dependent on impaired trafficking of calcium channels. Furthermore, α2δ-1 knockout mice exhibit a delay in the development of neuropathic like behaviours after injury. In neuropathic rats, systemic and spinal delivery of an activation state dependent Cav2 antagonist suppresses neuronal responses to mechanical stimuli but reveals no change in channel function within cold sensitive pathways. These findings expand the understanding of the neural basis of cold sensitivity and demonstrate TRPM8 is not essential to all forms of cold transduction in naive rats, and that both inhibiting and activating TRPM8 have similar selective modality related inhibitory effects on cold transduction in neuropathic rats.
Application of ultrasound to pineapple mash treatment in juice processing

This study focused on application of ultrasound to pineapple mash treatment in juice processing. The effect of ultrasonic power, treatment time and sonication temperature on the juice yield was investigated. Sonication of pineapple mash in juice processing increased extraction yield 10.8% in comparison with the control without ultrasonic treatment. In addition, use of ultrasound in the treatment of pineapple mash highly improved the level of sugars, total acids, phenolics and vitamin C in the obtained pineapple juice.
Particle Overload in Toxicological Studies: Friend or Foe?

ABSTRACT The overloading of particle clearance is an important issue in the design and interpretation of inhalation toxicological studies. This issue is particularly important in chronic inhalation bioassays in rats, in which overloading is associated with inflammation, epithelial proliferation, and fibrosis, which may amplify carcinogenic responses or, as suggested by some, even induce cancer regardless of the inhaled material. At present, the key issue is whether or not data from exposures causing overload in animals are useful for predicting health effects in man. A review of reports of chronic inhalation studies in rats exposed to a spectrum of materials suggests that not all exposures resulting in overloading cause cancer, and that the cancer incidences from exposures causing overloading appear to reflect the relative carcinogenic potentials of the test materials. Data from such exposures, however, do little to establish the exposure-response relationship at lower doses most typically relevant to hum.
MICROEMULSIONS WITH BUTYL LACTATE AS COSURFACTANT

ABSTRACT The use of butyl lactate as cosurfactant on the preparation of microemulsions with anionic surfactant is suggested. A parallel study between the classical system water/sodium dodecyl sulphate/pentanol and the proposed water/sodium dodecyl sulphate/butyl lactate has been carried out on their capacities of incorporating heptane as lipophilic component. The results obtained show the ability of butyl lactate to prepare microemulsions, allowing the incorporation of heptane up to contents of 30–40% at higher dilutions with water than the classical system containing pentanol.
Vibronic Relaxation of Polyatomic Molecule in Nonpolar Solvent: Femtosecond Anisotropy/Intensity Measurements of the Sn and S1 Fluorescence of Tetracene

The electronic and vibrational relaxation of tetracene have been studied in solution by femtosecond time-resolved fluorescence spectroscopy. Tetracene was initially photoexcited to the highly excited singlet (Sn) state, 1Bb, and the dynamics of the fluorescence from the 1Bb state and the 1La state (S1) were investigated by fluorescence up-conversion. The fluorescence from the 1Bb state was observed in the ultraviolet region, and its lifetime was determined as ∼120 fs. The anisotropy of the 1Bb fluorescence was close to 0.4, which assured that the fluorescence is emitted from the excited state that was prepared by photoexcitation. The visible fluorescence from the 1La state showed a finite rise that agreed well with the decay of the 1Bb fluorescence. Negative anisotropy was observed for the 1La fluorescence, reflecting that the 1La transition moment is parallel to the short axis of the molecule and hence perpendicular to the 1Bb transition moment. The anisotropy of the 1La fluorescence, however, showed a v.
Seed-Mediated Synthesis of Monodisperse Concave Trisoctahedral Gold Nanocrystals with Controllable Sizes

Concave trisoctahedral (TOH) gold nanocrystals (NCs) with uniform and customizable sizes were synthesized by a seed-mediated growth method using cetyltrimethylammonium chloride (CTAC) as the capping agent. Analysis of the projection angles and the atomic arrangement in the edge-on facets suggests that the surface of the TOH NCs was bounded by high-index {hhl} facets, such as {221}, {331}, and/or {441}. The size of the TOH gold NCs could be increased stepwise from 55 to 120 nm by applying the seed-mediated growth in succession. The TOH gold NCs displayed size-dependent surface plasmon resonance (SPR) properties, with the SPR peak red shifting with the increase in the NC size. The presence of the high-index {hhl} facets on the TOH surface was confirmed by cyclic voltammetric features that are distinctively different from those of cubic and octahedral gold NCs. The formation of these TOH NCs was kinetically driven and governed by two main factors: (i) the preferential face-blocking adsorption of CTA+ on high.
Síntesis de hidrogeles de acrilamida en soluciones acuosas de etanol

The polymerization of acrylamide was performed in aqueous ethanol solutions, varying the concentration of ethanol in the solution; obtaining both nanogels as macrogels. The water absorbing capacity of the macrogels were found; obtaining materials with a capacity to absorb from 40 to 90 g of water per gram of xerogel and the particle size of the nanogels are at values ranging from 71 nm to 463 nm.
Spray Drying: Retention of Volatile Compounds Revisited

ABSTRACT Retention or loss of trace volatile compounds during spray drying can be vital for product quality. Examples of cases where loss or retentions of volatile substances are important include retention of balanced flavor and aroma in food products, removal of odiferous substances, and control of the release of volatile organic compounds to the atmosphere. Factors and mechanisms determining losses of these substances are reviewed. Losses can occur during atomization, from undisturbed drops and as a result of morphological development. On the basis of this insight, several avenues for controlling the retention of volatile substances are identified and analyzed. These include control of atomizer pressure or rotation speed, choice of spray angle, configuration of air input, lteration of the air temperature profile, feed concentration, the presence of an oil phase and/or suspended solids, foaming of the feed, feed composition, and steam blanketing of the atomizer. The quality of a spray-dried product can .
An approach for solubility enhancement: solid dispersion

The solubility behavior of drug is one of most challenging aspect in formulation development. Thus a greater understanding of dissolution & absorption behavior of drug with low aqueous solubility is required to successfully formulate them into more soluble and hence bioavailable drug product. Therefore different approaches are being explored to enhance the solubility of poorly water soluble drugs, one of such approach is using solid dispersion by solvent evaporation method. In this study, we are trying to increase the solubility of aceclofenac, poorly water soluble drug with low bioavailability.Objective of this work is to improve the solubility and dissolution rate of poorly water soluble Aceclofenac by solid dispersion method followed by solvent evaporation method. And to compare effectiveness of hydrophilic polymer PVP-k30, HPMC E-5, using porous carrier Aerosil 200. , resultant complexes were evaluated for drug content, infrared spectroscopy, and XRD and dissolution study.The present study successfully utilized the solvent evaporation method for preparation of stable, amorphous solid dispersions of Aceclofenac by encapsulation with hydrophilic carrier with adsorbents agent (Batch 4, 1:1:2) drug: PVPK30: aerosil, showed maximum release in phosphate buffer pH 6.8The present study demonstrates high potential of solvent evaporation method for obtaining large surface area and amorphicity of drug using hydrophilic carrier Keywords:- Aceclofenac, hydrophilic carrier, Aerosil 200, solvent evaporation method.
Rosemary Compounds as Nutraceutical Health Products

The oxidation of lipids in food, cosmetic and pharmaceutical products, together with the growth of undesirable microorganisms results in the development of spoilage, off-flavor, rancidity and deterioration of such products turning them unacceptable for human consumption. In consequence, the addition of exogenous antioxidants such as butylated hydroxytoluene and butylated hydroxyanisole is frequently required to improve the stability of these products. As synthetic butylated derivatives may have toxic effects there is an increasing interest in the use of natural antioxidants, such as phenols isolated from plants to avoid undesired food borne diseases (Shylaja & Peter, 2004).
Effects of ligand binding on the rigidity and mobility of proteins : a computational and experimental approach

The interplay between protein structure, flexibility, mobility and function is a central concern in structural biology. Here, we have studied the interactions of two different proteins, HIV-1 protease and cyclophilin A (CypA), with a variety of ligands. HIV-1 protease is a key modern drug target due to its role in the lifecycle of the virus HIV-1. CypA is a multifunctional protein which acts principally as an enzyme during protein folding, but also as the primary binding partner for the immunosuppressant drug cyclosporin A (CsA). Using a computational approach we have studied the manner in which different drugs affect the flexibility of HIV-1 protease. We have used experimental and computational approaches to investigate the binding effect of CsA on the structure, flexibility and mobility of CypA. The wealth of structural data available, particularly from X ray crystallography studies, creates an opportunity for computational scientists to provide data on flexibility and mobility in order to augment the structural data and inform future experiments. We use rapid computational tools to model the flexibility (first) and mobility (froda) with a variety of structural data as input. We characterised, with first, the effect of ligand binding on the rigidity of more than 200 X-ray crystal structures of HIV-1 protease. A similar approach has been applied to the structural dataset available for CypA. In addition, we have used froda to simulate the mobility of the protein. A new procedure, of tracking surface exposure during large-scale simulations of protein motion and combining the information with rigidity analysis data, was used to try to predict results of hydrogen-deuterium exchange NMR experiments (HDX). Experimentally, we have characterised CypA and its binding with CsA and subsequently performed NMR spectroscopy including HDX on both the unliganded CypA and the CypA-CsA complex. Small changes in chemical shift and the HDX folding core were observed upon ligand binding. This is the first study of the CypA-CsA complex using HDX. Our method for predicting the results of HDX for CypA is an improvement on the first-only approach, but we find that it is not yet sufficiently sensitive to predict the effects of ligand binding on CypA using these experiments. It is hoped that this work will contribute to the general understanding of ligand interactions, the particular interactions involving HIV-1 protease and CypA, and the applications of computational simulation using rigidity analysis and large-scale coarse-grained motion.
ORGANIC PHOSPHORUS AS A PREDICTOR OF PLANT-AVAILABLE PHOSPHORUS IN SOILS OF SOUTHERN NIGERIA

ABSTRACTPhosphorus mineralized during four periods of cropping with maize in the greenhouse Was the factor which correlated best (r = 0.90) with P uptake from 21 surface and four subsoil samples from southern Nigeria. Over the cropping periods the organic P decreased an average of 27 percent and the
Novel patternable and conducting metal-polymer nanocomposites: a step towards advanced mutlifunctional materials

In this work, we present a novel patternable conducting nanocomposite containing gold nanoparticles. Here, the in-situ polymerization of 3T is carried out using HAuCl4 as oxidizing agent inside PMMA as host matrix. During the bake step, the gold salt is also reduced from Au(III) to Au(0) generating Au nanoparticles in the interpenetrating polymer network (IPN) system. We found that this novel multifunctional resist shows electrical conductivity and plasmonic properties as well as potential patterning capability provided by the host matrix. The resulting nanocomposite has been investigated by TEM and UV-Vis spectroscopy. Electrical characterization was also conducted for different concentration of 3T and Au(III) following a characteristic percolation behaviour. Conductivities values from 10-5 to 10 S/cm were successfully obtained depending on the IPN formulation. Moreover, The Au nanoparticles generated exhibited a localized surface plasmon resonance at around 520 nm. This synthetic approach is of potential application to modify the conductivity of numerous insulating polymers and synthesize Au nanoparticles preserving to some extent their physical and chemical properties. In addition, combination of optical properties (Plasmonics), electrical, and lithographic capability in the same material allows for the design of materials with novel functionalities and provides the basis for next generation devices.
Comparing microbial parameters in natural and constructed wetlands

Microbial biomass C, soil respiration, denitrification enzyme activity (DEA), and potential net N mineralization and nitrification were compared in two constructed and three natural wetlands in Massachussetts and Rhode Island. The constructed wetlands studied had marsh and wet meadow vegetation and received storm water discharge directly from a large shopping mall and its associated parking lots. The natural sites encompassed three soil drainage classes (moderately well drained, poorly drained, and very poorly drained) across an upland to wetland transition zone with red maple (Acer rubrum L.) swamps and mixed oak (Quercus sp.) forests in the transition zone (.)