Miracle-dz/UniFAR-FTUs huggingface dataset:
MODELING WATER ADSORPTION ISOTHERMS OF PINHÃO (ARAUCARIA ANGUSTIFOLIA SEEDS) FLOUR AND THERMODYNAMIC ANALYSIS OF THE ADSORPTION PROCESS

The seeds of Araucaria angustifolia, commonly known as pinhao, are widely consumed in both Southern and Southeastern Brazil because of their high nutritious value. The literature on the technological aspects of this seed is still very scarce. Moisture adsorption isotherms of pinhao flour were determined at 10, 20, 30 and 40C using the gravimetric method. Results show that temperature has little effect on the adsorption process and the Chirife model was found to best represent the experimental data. The isosteric heat of sorption (differential enthalpy) was calculated by using the moisture adsorption isotherm and decreased as moisture content increased, becoming almost constant at 0.3 kg water/kg dry solids. The enthalpy–entropy compensation theory was applied to adsorption isotherms and the isokinetic temperature for pinhao flour was calculated by plotting the differential enthalpy versus differential entropy. It was found that the adsorption process investigated was enthalpy controlled. PRACTICAL APPLICATIONS Moisture isotherms are important for several applications in food technology (they can be used to predict potential changes in food stability, for storing method determination, packaging and ingredients selection, design and optimization of drying equipment, among others). This work presents the isotherms of a new product (pinhao flour), that do not exist in the market yet and with very scarce literature. As pinhao is a seasonal product, the study of new products using pinhao as raw material is also important.
Lignin and related compounds. V. The hydrogenolysis of aspen wood lignin using rhodium-on-charcoal as catalyst

The hydrogenolysis of aspen lignin using rhodium-on-charcoalas catalyst has been studied. The maximum yield of chloroform-soluble lignin degradation products was obtained at a reaction temperature of 195 °C. Analysis of this chloroform-soluble fraction revealed that the monomeric fraction was composed essentially of the four compounds, 1–4, only, and in a total yield representing at least 40% of the original lignin.Solvent extraction was shown to be preferred over thermal distillation as a preparative procedure for the separation of these phenolic derivatives. The significance of the isolation of these lignin degradation products is discussed.
Purification-Free, Small-Scale Synthesis of Isothiocyanates by Reagentless Fragmentation of Polymer-Supported 1,4,2-Oxathiazoles

The synthesis of isothiocyanates (ITCs) by employing polymer-supported 1,4,2-oxathiazoles is described. The ITCs are obtained in moderate yields and high purity through a reagentless, thermal fragmentation of polymer-supported 1,4,2-oxathiazoles that are obtained by trapping nitrile oxides with polymer-supported thiocarbonates.
Dehydration of benzene through fluorine containing aromatic polyamide membrane by pervaporation

A series of soluble polyamides were synthesized by direct polycondensation of the 5-tert-butyl isophthalic acid with different diamines. Solution (20%) of the polymers in suitable solvents was used to cast the membranes. The membranes showed selectivity toward the benzene (Bz) in a mixture of Bz/water (H2O). Water affinity of the membrane was found to be lower than that of Bz. The polyamide incorporating hexafluoro isopropylidene moiety was promising for the dehydaration of Bz and breaking of Bz/H2O azeotrope. The polymers exhibited inherent viscosities, ranging from 0.40 to 0.92 dL/g and 10% weight loss in synthetic air up to 474°C. Glass transition temperature measured by DSC and DMA reached up to 258°C. The membranes were pale yellow in appearance having tensile strength up to 85 MPa, modulus of elasticity up to 2.6 GPa, and elongation at break up to 9.5%, depending upon the exact repeating unit structure. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008
A Seven-NF-κB-Related Gene Signature May Distinguish Patients with Ulcerative Colitis-Associated Colorectal Carcinoma

Purpose Ulcerative colitis (UC) patients have an increased risk of colorectal cancer (CRC), and compared with sporadic CRC, ulcerative colitis-associated colorectal cancer (CAC) is more aggressive with a worse prognosis. This study aimed to identify a gene signature to predict the risk of CAC for patients with UC in remission. Patients and Methods Series of quiescent UC-related transcriptome data obtained from the Gene Expression Omnibus (GEO) data set were divided into a training set and a validation set. Gene Set Variation Analysis (GSVA), Gene Set Enrichment Analysis (GSEA), and \Weighted Correlation Network Analysis (WGCNA) combined with protein–protein interaction (PPI) analysis were used to identify the pathways and gene signatures related to tumorigenesis among quiescent UC patients. A generalized linear model (GLM) of Poisson regression based on the training set was applied to estimate the diagnostic power of the gene signature in our validation set. Results The tumor necrosis factor (TNF) signaling via NF-κB pathway was significantly augmented with the highest normalized enrichment score (NES). The genes in the brown module from WGCNA have shown a significant correlation with CAC (Pearson coefficient = 0.83, p = 6e-06). A subset of NF-κB related genes (FOS, CCL4, CXCL1, MYC, CEBPB, ATF3, and JUNB) were identified with a relatively higher expression level in CAC samples. The diagnostic value of this 7-gene biomarker was estimated by the receiver operating characteristic (ROC) curve with an area under the ROC curve (AUC) at 0.82 (p<0.0001, 95% CI: 0.7098–0.9400) in the validation cohort. Conclusion In summary, the increased expression of this seven-NF-κB-related gene signature may act as a powerful index for tumorigenesis prediction among patients with UC in remission.
Nonphotochemical hole burning of the native antenna complex of photosystem I (PSI-200)

Nonphotochemical hole burning is used to determine the frequencies and Franck-Condon factors for 41 chlorophyll a (Chla) and 15 Chlb intramolecular modes for PSI-200. The linear electron-vibration coupling for all modes is very weak with the maximum Franck-Condon factor observed being {approx} 0.04. No activity by modes with a frequency lower than {approx} 260 cm{sup {minus}1} is observed. The linear electron-phonon coupling for protein modes of mean frequency 22 cm{sup {minus}1} is stronger but can still be categorized as weak since the Huang-Rhys factor is 0.8. The experimental mode and phonon frequencies and Franck-Condon factors are used with multiphonon excitation transport theories to analyze the available temperature-dependent data on the kinetics of transport within the core antenna complex. The calculations indicate that it is the phonons (and not the intermolecular modes) that mediate excitation transport within the antenna and from the antenna to the reaction center. They indicate also that a subunit or cluster model for the antenna provides a more accurate picture than the regular array model for excitation transport.
Singlet and Other States with Extended Lifetimes

Nuclear singlet states may have lifetimes that are much longer than the conventional relaxation time of nuclear spin magnetization. The article explains how these states may be observed and exploited in solution NMR. Potential applications are discussed. Keywords: singlet states; long-lived spin states; relaxation; parahydrogen; spin-locking; hyperpolarization
SYNTHESIS AND CHARACTERIZATION OF NOVEL AMINO ACID PRODRUG OF FAMOTIDINE

Objective: Famotidine an H 2 receptor antagonist is the drug of choice to treat ulcers in stomach (gastric and duodenal), erosive esophagitis (heartburn or acid indigestion) and gastroesophageal reflux disease (GERD). Drug molecules with limited aqueous solubility are becoming very common in the research and development portfolios of discovery focused pharmaceutical companies. Prodrugs are an established concept to overcome barriers like poor solubility to drug’s usefulness. Polar Amino acids which are biocompatible and easily ionisable were chosen as promoiety for the formation of prodrugs. Aqueous solubility is an important parameter to enhance the bioavailability of the drug. Hence the present study aims to enhance aqueous solubility and in turn bioavailability by prodrug approaches. Methods: Synthesis of novel amino acid prodrug of famotidine was done by microwave irradiation technique. The synthesized amino acid prodrug was characterized by IR, NMR, Mass and DSC. Results: In vitro chemical hydrolysis profiles revealed that the synthesized amino acid derivative of famotidine was chemically stable in Simulated Gastric fluid pH 1.2 and Simulated Intestinal Fluid pH 7.4. Decrease in Log P value,-0.39 of amino acid prodrug compared to-0.60 of famotidine was observed. Conclusion: Hence a novel amino acid prodrug of famotidine with better solubility and bioavailability was synthesized and characterized.
Soot Formation in Diesel Combustion under High-EGR Conditions

Experiments were conducted in an optically accessible constant-volume combustion vessel to investigate soot formation at diesel combustion conditions - in a high exhaust-gas recirculation (EGR) environment. The ambient oxygen concentration was decreased systematically from 21% to 8% to simulate a wide range of EGR conditions. Quantitative measurements of in-situ soot in quasi-steady n-heptane and No.2 diesel fuel jets were made by using laser extinction and planar laser-induced incandescence (PLII) measurements. Flame lift-off length measurements were also made in support of the soot measurements. At constant ambient temperature, results show that the equivalence ratio estimated at the lift-off length does not vary with the use of EGR, implying an equal amount of fuel-air mixing prior to combustion. Soot measurements show that the soot volume fraction decreases with increasing EGR. The regions of soot formation are effectively 'stretched out' to longer axial and radial distances from the injector with increasing EGR, according to the dilution in ambient oxygen. However, the axial soot distribution and location of maximum soot collapses if plotted in terms of a 'flame coordinate', where the relative fuel-oxygen mixture is equivalent. The total soot in the jet cross-section at the maximum axial soot location initially increases and then decreasesmore » to zero as the oxygen concentration decreases from 21% to 8%. The trend is caused by competition between soot formation rates and increasing residence time. Soot formation rates decrease with decreasing oxygen concentration because of the lower combustion temperatures. At the same time, the residence time for soot formation increases, allowing more time for accumulation of soot. Increasing the ambient temperature above nominal diesel engine conditions leads to a rapid increase in soot for high-EGR conditions when compared to conditions with no EGR. This result emphasizes the importance of EGR cooling and its beneficial effect on mitigating soot formation. The effect of EGR is consistent for different fuels but soot levels depend on the sooting propensity of the fuel. Specifically, No.2 diesel fuel produces soot levels more than ten times higher than those of n-heptane. « less
Mean spherical model for asymmetric electrolytes

The mean spherical approximation for the primitive model of electrolytic solutions is solved for the most general case of an arbitrary charge and size. It is found that the excess thermodynamic properties are scaled to the charge and the size by means of a rational expression involving a single parameter. This parameter is found by solving an algebraic equation. The explicit form of this equation is obtained for the cases of a binary mixture and in the limit of low concentrations.
Inhibition of protein-peptide interactions by small molecules

In all kinds of disease models, many proteins involved in protein-protein interactions (PPIs) are mutated and do not function properly. The important role of PPIs in disease makes the design of small molecule inhibition an interesting proposition. This project looks at mouse double minute 2 (MDM2) and mouse double minute X (MDMX) which binds and inhibits the tumour suppressor protein p53. MDM2 and MDMX are therefore attractive therapeutic targets due to their role in tumour progression. The aim is to identify small molecule dual inhibitors that are able to disrupt MDM2 and MDMX from binding to p53. Both N-terminal MDM2 and MDMX were successfully expressed and purified with high purity and decent yield. These proteins were used to develop Fluoresence Polarization (FP) and Capillary Electrophoresis (CE) assays for small molecule inhibitors screening. This work has successfully developed FP and CE assays for detecting weakly interacting fragments. The CE assay is a novel method for detecting weak fragments for protein-protein interactions, which are a challenging target. Two approaches were employed to identify small molecule inhibitors for MDM2N/p53 interaction. At first, small molecules were identified using in silico screening and these hits were verified using FP and CE assays. Second, analogue exploration was applied to identify fragments from the small molecule inhibitors discovered from the in silico screening. Diphenylamine and oxindole fragments were identified as the most potent. However, diphenylamine fragment was discovered to aggregate MDM2-N and was ranked as a false positive hit. No protein aggregation was found when incubated with the oxindole fragment. Therefore oxindole can provide a good starting point for the design of higher affinity analogues. Studying the interaction of MDMX has only recently been undertaken. MDMX contains a high homology binding site with MDM2. Hence, developing a dual MDM2/MDMX inhibitor has become an attractive target to focus on. FP and CE assays were developed to screen compounds against MDMX-N. In silico screening against MDM2-N and MDMX-N found several hits. One compound was discovered as a dual binder to MDM2-N and MDMX-N with low μM affinity. This novel hit is potentially a good starting point for the design of higher affinity analogues. Degree of Doctoral of Philosophy – The University of Edinburgh – 2014
High temperature and high pressure equation of state of gold

High-temperature and high-pressure equation of state (EOS) of Au has been developed using measured data from shock compression up to 240 GPa, volume thermal expansion between 100 and 1300 K and 0 GPa, and temperature dependence of bulk modulus at 0 GPa from ultrasonic measurements. The lattice thermal pressures at high temperatures have been estimated based on the Mie-Gruneisen-Debye type treatment with the Vinet isothermal EOS. The contribution of electronic thermal pressure at high temperatures, which is relatively insignificant for Au, has also been included here. The optimized EOS parameters are K'0T = 6.0 and q = 1.6 with fixed K0T = 167 GPa, γ0 = 2.97, and Θ0 = 170 K from previous investigations. We propose the present EOS to be used as a reliable pressure standard for static experiments up to 3000K and 300 GPa.
Micro-poutres résonantes à base de films minces de nitrure d’aluminium piézoélectriques, application aux capteurs de gaz gravimétriques

Les MEMS et NEMS resonants sont d'excellents candidats pour la realisation de systemes de detection de gaz haute resolution et faible couts ayant des applications dans les domaines de la securite, la defense, l'environnement et la sante. Cependant, la question du choix des techniques de transduction est toujours largement debattue. La transduction piezoelectrique pourrait etre avantageusement exploitee mais elle est encore peu connue a l'echelle nanometrique. L'objectif de cette these est donc de progresser vers la realisation de capteur de gaz a haute resolution a l'aide resonateurs a base de micro / nano poutres piezoelectriques en couvrant la chaine de prototypage complete depuis les techniques de depot des materiaux jusqu'a l'experience de preuve de principe de mesure de gaz. Pour cela, notre premiere contribution concerne la modelisation analytique des performances et l'optimisation, design et systeme, d'un capteur de gaz a base de poutres resonantes piezoelectriques. En particulier, nous demontrons que la diminution de l'epaisseur du film piezoelectrique actif sous la barre des 100 nm permet d'atteindre les meilleures performances. La deuxieme contribution concerne la fabrication, la caracterisation et la demonstration des performances capteur de poutres resonantes de 80 μm de long exploitant un film piezoelectrique en AlN de 50 nm d'epais. Ainsi nous avons demontre experimentalement la stabilite frequentielle exceptionnelle de ces dispositifs atteignant des deviations standard de l'ordre de 〖10〗^(-8), au niveau de l’etat de l'art. Ainsi, ils permettent la detection de vapeurs Di -Methyl -methyl- phosphonates, un simulateur de gaz sarin, avec des concentrations aussi faibles que 10 ppb. Bien que le niveau d'integration de notre systeme de detection ne soit pas suffisant, ces resultats prouvent le fort potentiel de ces resonateurs cantilever piezoelectriques pour un developpement industriel futur.
Rehospitalization Risk of Receptor-Affinity Profile in Antipsychotic Drug Treatment: A Propensity Score Matching Analysis Using a Japanese Employment-Based Health Insurance Database

Purpose The aim of this study was to examine whether there is a difference in the risk of rehospitalization when antipsychotics are classified into two groups treated using drugs with a higher or lower affinity to H1 or α1 receptors than to D2 receptors (histamine H1 receptors, adrenaline α1 receptors [HA] high- and HA low-affinity drug group, respectively) based on affinity to receptors related to sedation using a nationwide insurance claims database in Japan. Patients and Methods We identified eligible patients by the following two criteria: (i) hospitalization due to schizophrenia (International Classification of Disease [ICD]-10 code: F20 or F25) in psychiatric wards between January 1st, 2005 and August 31st, 2017, and (ii) administration of HA high- or HA low-affinity drugs in the next month after discharge from the earliest hospitalization due to schizophrenia (index month). The primary endpoint was rehospitalization due to schizophrenia. The secondary endpoints were (i) involuntary rehospitalization, (ii) concomitant use of anxiolytics/hypnotics, mood stabilizers, and antiparkinsonian drugs, (iii) all-cause death, and (iv) medication discontinuation. Propensity score (PS) matching analysis was applied, and the hazard ratio (HR) of the event rate in the HA high-affinity drug group relative to the HA low-affinity drug group was calculated using Cox’s proportional hazards model. Results Two thousand nine hundred and forty patients were identified as eligible patients. Among PS-matched patients (819 in each group), the HR in the HA high-affinity drug group compared with the HA low-affinity drug group was 1.018 (0.822–1.260, P = 0.870). Other outcomes did not differ significantly between the two groups. Conclusion No significant difference was observed in the rehospitalization risk due to schizophrenia associated with HA high-affinity antipsychotic drugs. Although this study was a retrospective PS-matched cohort study, the possibility of masking of the rehospitalization risk cannot be excluded because more than 80% of the patients were administered an anxiolytic/hypnotic at the time of admission.
Crystal structure of Sr2MgWO6 and Ba2SrWO6 determined by powder X-ray diffraction

The crystal structures of Sr2MgWO6 and Ba2SrWO6 compounds, studied by powder X-ray diffraction, were found to be distorted perovskites with a complete NaCl type ordering between Mg2+/W6+ and Sr2+/W6+ ions, respectively. The unit cells are characterized by the tetragonal (space group I4/m; a0a0a−) symmetry, with the parameters a=5.5849(10) Å and c=7.9455(10) Å, for Sr2MgWO6 and triclinic (space group F-1; a−b−b−) symmetry, with the parameters a=8.5409(10) Å, b=c=8.5860(10) Å, α=89.35(1)° and β=γ=90.31(1)°, for Ba2SrWO6. © 2004 International Centre for Diffraction Data.
Factors influencing off-flavor in beef

i ACKNOWLEDGEMENTS iii TABLE OF CONTENTS v INTRODUCTION 1 REVIEW OF LITERATURE 1. Flavor a. General Introduction 3 b. Olfactory System 4 c. Chemistry of Taste 9 i. Salty 10 ii. Sour 10 iii. Sweet 11 iv. Bitter 12 v. Umami 13 vi. Taste receptor summary 14 d. Mastication and Swallowing 14 e. References 17 f. Figures i. Figure 1. Frontal section of rabbit and human nasal cavity . 22 ii. Figure 2. Primary olfactory pathway.23 iii. Figure 3. Olfactory mucous membrane 24 iv.Figure 4. Known and proposed pathways of olfactory transduction 25 v. Figure 5. Odor introduction to nasal cavity and stimuli pathway to the brain 26 vi. Figure 6. Transformation of odorant receptor inputs in the nervous system 27 vii. Figure 7. Ortho­ and retronasal routes of aroma perception 28 viii. Figure 8. Difference in sniffing and breathing in 29
Bonding and corrosion protection mechanisms of γ-APS and BTSE silane films on aluminum substrates

Films of γ-aminopropyltriethoxysilane (γ-APS), 1,2-bis[triethoxysilyl] ethane (BTSE) and their mixtures adsorbed onto pure aluminum from aqueous solutions were characterized by means of ellipsometry, infrared spectroscopy (IR) and X-ray photoelectron spectroscopy (XPS). It was found that after hydrolysis in water the silanes were readily adsorbed onto aluminum oxide surfaces initially forming hydrogen bonds. Upon curing, such bonds are replaced by metallosiloxane bonds, Si - O - Al. The remaining silanol groups in the film condense and form Si - O - Si bonds. As the Si - O - Al bonds are known to hydrolyze, the corrosion protection is related to the hydrophobicity of the siloxane films formed on the metal substrate. BTSE films are acidic as they contain free silanol groups, therefore these are compatible with some paints but not with others. Electrochemical impedance spectroscopy (EIS) results, salt spray test results and filiform corrosion test results showed that some silane treatments, such as two-step γ-APS/BTSE and BTSE only, provided better corrosion protection on aluminum substrates as compared with a chromate treatment. Mechanisms of adhesion and corrosion protection of these silane films on aluminum substrates are proposed.
Chromatography: Basic Principles, Sample Preparations and Related Methods

General Concepts Gas chromatography (GC) High Performance Liquid Chromatography (HPLC) Thin Layer Chromatography (TLC) Supercritical Fluid Chromatography (SFC) Electrophoresis and Potential Driven Chromatography Chromatography on a Chip Field-Flow fractionation (FFF) Sample preparation Quantitation
Comparison of microstructure of vitreous and mealy kernels of hard and soft wheat

The differences and similarities of endosperm microstructure in different places of vitreous and mealy kernels of wheat of different origin and hardness were evaluated. Kernels of seven T durum and five T aestivum cultivars of different origin, protein content, and mechanical resistance were investigated. Five points on the kernel cross-section surface were selected for endosperm microstructure observation with scanning electron microscope JEOL 5200. Digital image analysis (DIA) was used for quantification of endosperm microstructure by transformation of the microscopic pictures and measuring the area and number of transformed image elements. Type of wheat (T. durum and T aestivum), type of kernel (vitreous and mealy) and sampling place on the cross-section surface influenced the endosperm microstructure statistically significantly Despite high standard deviations within the data set for single kernel (from 5 to 25%), differences in vitreous and mealy kernels of particular wheat cultivars were evidently clear. Despite differences between vitreous and mealy kernels, types of wheat were very well classified in discriminant analysis. It should be said, however, that the differences in microstructure of mealy and vitreous kernels within the cultivar are smaller than those in the microstructure of different wheat types i.e. T durum and T. aestivum.