Miracle-dz/UniFAR-FTUs huggingface dataset:
Erratum: Conduction‐Induced Alignment of Nematic Liquid Crystals: Basic Model and Stability Considerations

It is shown by way of model orientation patterns how conduction in nematic liquid crystals may cause a torque per unit volume that more than offsets the dielectric torque felt in the insulating state. This conduction‐induced torque arises from an anisotropy of the conductivity or of the dielectric constant. It is partly dielectric but its more important part is shear‐induced, the shear flow being a consequence of space charge which is generated by and interacts with the applied electric field. The stability of a uniform orientation pattern in electric fields parallel or perpendicular to the preferred axis is investigated, with respect to a complete set of sinusoidal perturbations and including distortional and (stabilizing) magnetic torques. The analysis shows that the shear‐induced torque cannot be treated like its dielectric counterpart. It depends in a peculiar way on the direction of the perturbational wave vector and may contain a nonconservative contribution. Formulas for the instability threshold, .
Evaluation of Mehlich 3 reagent as a multielement extractant in mine soils

The usefulness of Mehlich 3 (M3) reagent was evaluated as a method to extract numerous elements from coalmine soils in As Pontes (Spain) showing a wide range of physicochemical properties. Critical levels (deficiency and/or toxicity) were established for plant available elements extracted by this reagent. The M3 method was compared to 1M NH4Cl, Olsen, acid oxalate, and DTPA methods as extractants for exchangeable Ca, Mg and K, available P, non-crystalline aluminium, and available heavy metals, respectively. The M3 method correlated significantly to NH4Cl for Ca, Mg and K (r=0·76, 0·84 and 0·87, respectively), to Olsen P (r=0·77) and to oxalate Al (r=0·77). Significant correlations were found between Fe, Cu, Zn and Cd extracted by M3 and DTPA; for Mn, Ni, Co and Pb different relationship between methods were obtained for acid and alkaline samples, so that critical levels were established for M3 metals as a function of soil pH. Copyright © 1999 John Wiley & Sons, Ltd.
Molecular Modeling of Lignin β-O-4 Model Compounds. Comparative Study of the Computed and Experimental Conformational Properties for a Guaiacyl β-O-4 Dimer

Summary The conformational preferences of the threo and erythro diastereomeric forms of a guaiacyl β-O-4 dimer have been investigated by molecular modeling using the CHARMM force field. Many low energy conformations have been identified for each diastereomer, showing that β-O-4 dimers can adopt a large variety of shapes. A consistent structural model has emerged that indicates different conformational behavior for the threo and erythro forms, corresponding to a preferential extended overall shape for the threo form. All the low energy conformers are stabilized by intramolecular H-bonds. In particular, the highly directional H-bond between the α or γ hydroxyl hydrogen and the aromatic methoxy oxygen governs the B aromatic ring orientation. However, it has appeared that the conformational preferences are predominantly governed by local steric interactions rather than by differences in the H-bonding pattern. From the satisfactory agreement between computed data (geometries and the Boltzmann distribution of the low energy conformers) and the experimental data reported in the literature (X-ray crystal structures and 3 J HαHβ NMR coupling constant), the CHARMM force field has been validated for the study of β-O-4 structures. Clearly, the molecular modeling calculations have led to an improved rationalization of the conformational data collected by experimental techniques.
Elastic block copolymer nanocomposites with controlled interfacial interactions for artificial muscles with direct voltage control

Soft, physically crosslinking, block copolymer elastomers were filled with surface-treated nanoparticles, in order to evaluate the possibility for improvement of their properties when used as soft dielectric actuators. The nanoparticles led to improvements in dielectric properties, however they also reinforced the elastomer matrix. Comparing dielectric spectra of composites with untreated and surface-treated particles showed a measurable influence of the surface on the dielectric loss behaviour for high filler amounts, strongly indicating an improved host–guest interaction for the surface-treated particles. Breakdown strength was measured using a test bench and was found to be in good agreement with the results from the actuation measurements. Actuation responses predicted by a model for prestrained actuators agreed well with measurements up to a filler amount of 20%vol. Strong improvements in actuation behaviour were observed, with an optimum near 15%volnanoparticles, corresponding to a reduction in electrical field of 27% for identical actuation strains. The use of physically crosslinking elastomer ensured the mechanical properties of the matrix elastomer were unchanged by nanoparticles effecting the crosslinking reaction, contrary to similar experiments performed with chemically crosslinking elastomers. This allows for a firm conclusion about the positive effects of surface-treated nanoparticles on actuation behavior.
Spectral Stress Strain Analysis and Partial Least Squares Regression to Predict Sensory Texture of Yogurt Using a Compression/Penetration Instrumental Method

The sensory texture characteristics of 2 yogurt types (light, blended, N = 69) were evaluated using a trained descriptive panel and an instrumental compression/penetration test in combination with a novel data analysis method (that is Spectral Stress Strain Analysis). Partial Least Squares Regression was used to study the relationship between each of the 7 sensory texture attributes and spectral force deformation data measured during instrumental testing. The best predictive models were computed for spoon impression (Validation Correlation (R val ) = 0.93, Root Mean Square Error of Prediction (RMSEP) = 1.33, Discrimination Index (DI) = 2.80), visual thickness (R val ) = 0.89, RMSEP = 0.83, DI = 2.40), and slipperiness (R val = 0.81, RMSEP = 0.60, DI = 1.76). Oral Thickness (R val = 0.78), cohesiveness (R val = 0.73), covering (R val = 0.81) and stickiness (R val = 0.57) were less accurately pre-dicted. Les caracteristiques sensorielles de texture sont evaluees sur des yaourts par un panel descriptif entraine et un test instrumental de compression/penetration en combinaison avec une nouvelle methode d'analyse des donnees, l'analyse spectrale de la contrainte de deformation. La regression de moindre carre est utilisee pour etudier la relation entre les 7 attributs sensoriels et les donnees de deformation instrumentales.
Comparative Studies on the Interaction of Aspirin with Bovine Serum Albumin by Fluorescence Quenching Spectroscopy and Synchronous Fluorescence Spectroscopy

ABSTRACT The interaction of aspirin with bovine serum albumin was studied at different temperatures using fluorescence quenching and synchronous fluorescence methods. The results indicated that aspirin could quench the intrinsic fluorescence of bovine serum albumin through a static quenching process; the electrostatic interaction contributes to the binding reaction between aspirin and bovine serum albumin. The order of magnitude of binding constants was 103, and the primary binding site for aspirin was found to be sub-hydrophobic domain IIA of bovine serum albumin. The results obtained by the two methods were consistent, which indicated synchronous fluorescence spectrometry was a new method of studying the binding mechanism between drug and protein, and it was a useful supplement to the conventional method.
Stable colloids of magnetic nanoparticles and nanoparticle assemblies with controlled size and magnetic resonance properties

Suspensions of both dispersed and clustered iron oxide nanoparticles are of interest for biomedical applications as diagnostic and therapeutic agents due to their bio-compatibility and interesting magnetic and magnetic resonance properties. Their application is critically dependent on the fact that these properties are highly size-dependant. By developing NP synthesis and assembly methods, to provide improved size control at the two levels of organisation, NP suspensions with controlled emergent magnetic properties have been prepared. The first part of this thesis presents the size-controlled synthesis of magnetic nanoparticles whose surface is functionalised with a wide range of stabilising ligands. An investigation was undertaken to elucidate the effect of the stabilising ligands on the physical properties. The second part of the thesis presents a novel method for the reproducible assembly, in suspension, of NPs to form clusters. The method can be used to produce clusters of controlled size in large quantities; it is also shown that the kinetics of assembly can be easily controlled and that this influences the emergent magnetic properties. Arising from this observation a study was undertaken to determine the role of cluster architecture on the magnetic resonance properties of their aqueous suspensions.
Emerging Evidence Highlighting the Importance of Redox Dysregulation in the Pathogenesis of Amyotrophic Lateral Sclerosis (ALS)

The cellular redox state, or balance between cellular oxidation and reduction reactions, serves as a vital antioxidant defence system that is linked to all important cellular activities. Redox regulation is therefore a fundamental cellular process for aerobic organisms. Whilst oxidative stress is well described in neurodegenerative disorders including amyotrophic lateral sclerosis (ALS), other aspects of redox dysfunction and their contributions to pathophysiology are only just emerging. ALS is a fatal neurodegenerative disease affecting motor neurons, with few useful treatments. Hence there is an urgent need to develop more effective therapeutics in the future. Here, we discuss the increasing evidence for redox dysregulation as an important and primary contributor to ALS pathogenesis, which is associated with multiple disease mechanisms. Understanding the connection between redox homeostasis, proteins that mediate redox regulation, and disease pathophysiology in ALS, may facilitate a better understanding of disease mechanisms, and lead to the design of better therapeutic strategies.
Electrochemical Determination of the Antioxidant Capacity: The Ceric Reducing/Antioxidant Capacity (CRAC) Assay

The CRAC assay is a direct electron transfer test of antioxidant capacity for several organic compounds. The ability of eight different compounds in reducing Ce4+ was studied by chronoamperometric measurements of the remaining Ce3+ species. The following antioxidant classification was observed: tannic acid quercetin>rutin>gallic acid≈catechin>ascorbic acid>BHA>Trolox. These results agree with others already published and a good correlation (R2=0.937) was found with the classical spectrophotometric FRAP assay. The CRAC assay is simple, fast, free from sample pretreatment and applicable to nontransparent samples.
Effect of phosphorus, FYM and lime on yield, P uptake by maize and forms of soil acidity in typic hapludalf of Meghalaya

Field experiments were conducted during the kharif seasons of 1999 and 2000 to study the effect of P levels, FYM and lime on yield, P use efficiency (PUE) by maize and forms of soil acidity. Application of 60 kg P2O5 with 5 t FYM and 2 t lime ha−1 resulted in a significant increase in yield, test weight, P uptake and PUE by maize. Available P and exchangeable Ca and Mg in post-harvest soil also increased due to application of P, FYM and lime but there was a considerable decline in exchangeable Al due to liming. Application of lime and FYM along with P reduced the different forms of acidity and the exchangeable acidity registered a decline up to 72 per cent on liming. Soil available P showed significant negative correlation with exchangeable acidity.
CLONING AND ANALYSIS OF PHYCOERYTHRIN GENES IN GRACILARIA LEMANEIFORMIS (RHODOPHYCEAE)

为伪 - 和红水藻鈥擥r acilaria lemaneiformis (GL ) 的藻红朊(PE ) 的尾 - 子单元编码的基因克隆并且定序被报导。 1084 核苷酸的排列与三已知的红海藻的 PE 基因定序， Rhodella violacea ( RV )， Polysiphonia boldii ( PB ) andAglaothamnion neglectum (一)，保存的显示出的高水平，和77,6%的类似(在 GL 和 RV 之间)，77.9%( GL 并且一)并且79. 0%( GL 和 PB )。 氨基酸的类似是 84.8%( 在 GL 和 RV 之间) ， 85.7%(GL 和 PB ) ，并且 80.6%(and GL ) ，比那些高在核苷酸之中。 克隆的关键词基因 - Gracilaria lemaneiformis - 藻红朊 - Rhodophyceae 工程 39670405 由 NSFC 和日本科学提升社会(JSPS ) 支持了。
High expression levels of putative hepatic stem/progenitor cells biomarkers related to tumor angiogenesis and poor prognosis of hepatocellular carcinoma

e22121 Background: To investigate the prognostic values of putative hepatic stem/progenitor cells (HSCs/HPCs) biomarkers in hepatocellular carcinoma (HCC) patients. Methods: Fourteen biomarkers related with HSCs/HPCs or tumor angiogenesis were assessed by qRT-PCR and then validated by tissue microarrays (TMAs) in three independent cohorts of HCC patients underwent curative resection (n=67, 314 and 73). Results: Most of the biomarkers were found over-expressed in recurrent HCC patients by qRT-PCR. HSCs/HPCs biomarkers cytokeratin 19, ABCG2, CD133, Nestin, CD44 and angiogenesis agents CD34, VEGF and PD-ECGF, were confirmed as significant predictors for overall survival (OS) and/or relapse-free survival (RFS) in TMAs analysis. Compared with the low HSCs/HPCs profile group, patients with high HSCs/HPCs profile had significantly lower OS and RFS (p<0.0001), expressed higher VEGF levels (p = 0.012) and microvessel density (MVD, determined by CD34 immunostaining, p = 0.030). Based on Cox regression, a simplified.
Essential oil of Algerian Inula viscosa leaves

The steam distillated essential oil issued from leaves of Algerian Inula viscosa (L.) Aiton were investigated by GC-MS analyses. 23 constituents were identified accounted for 80 % where isocostic acid (56.83 %), fokienol (14.6 %) were the major constituents. This plant becomes richer in fokienol and its flowering stage.
Effects of barley flour and barley protein isolate addition on rheological and sensory properties of pita bread

This study was conducted to evaluate the effect of wheat flour containing various levels (0, 5, 10 and 15%) of barley protein isolate (BPI) and barley flour (BF) on sensory (trained panel and consumer panel) and instrumental (texture and color) properties of Pita bread. Increasing the level of BF or BPI in the flour significantly reduced the aromatic flavor attributes of bread. Results demonstrated that the bread made with increasing ratio of fortification of BF in wheat flour reduced the texture attributes, whereas bread made from increasing the ratio of fortification of BPI had a harder texture. Most of the instrumental, descriptive and consumer results showed that the fortification of 5 and 10% BF were similar to control, and acceptable to the panel and consumers.
Potassium determination in grain samples using the nondigestion (dilute HCL extraction) method

A nondigestion method described earlier for K determination in plant tissue was tested for measuring K in grain samples of chickpea, pigeonpea, sorghum and pearl millet crops. The method involves shaking 0.5 g of finely ground (< 0.4 mm) seed sample with 40 ml of 0.5 N HC1 for 5 minutes at room temperature ( ? 25°C). The values of K obtained by this method with grain samples of the four crops were in close agreement (r ? 0.997) with those obtained using the conventional triacid digestion technique. These results suggest that this method may also be used for routine rapid and precise K analysis is seed materials of different crops.
Absence of Relationship between Health Effects Due to Tap Water Consumption and Drinking Water Quality Parameters

An 18-month prospective epidemiological study of gastrointestinal illnesses was conducted on 300 families consuming conventionally treated tap water and 300 consuming the same water after further treatment by reverse-osmosis. Drinking water met current bacteriological and physicochemical quality standards, but was found to be associated with a significant level of gastrointestinai illnesses: a reduction of 30% of the gastrointestinal illnesses was observed in the group consuming the filtered water. The presence or absence of total coliforms or fecal coliforms was not indicative of the health effects observed. The heterotrophic plate counts at 20°C in the distribution system were weakly associated with the duration of the symptoms when the data was analyzed by subregion. Several approaches to clustering of the family data to the nearest sampling site were attempted: no association could be demonstrated. Even if consumers of reverse-osmosis water experienced, on the average, less gastrointestinal illnesses, their illnesses were significantly associated with the number of bacteria growing at 35°C on medium R2A. The problems associated with the predictive value of the bacterial content of a water sample and in particular, the major differences between water quality at the tap and in the distribution system are presented. For example, standard procedures require analysis of the water after flushing the tap for several minutes: this is not however typical of the water that is consumed. Water that comes out of the tap has stagnated for long periods in household pipes and regrowth of bacterial contaminants can easily occur. The bacteria growing in this water might thus be responsible for some of the health effects observed in tap water.
Calculation of Prompt Fission Product Average Cross Sections for Neutron-Induced Fission of 235U and 239Pu

Yield-weighted average cross sections of neutron radiative capture, (n,2n), and (n,3n) reactions over prompt fission products (FPs) from 235U and 239Pu are calculated. The prompt fission production yields are taken from the ENDF/B-VII.0 library. The FPs for each fissile material exist over a range of approximately 1000 neutron-rich nuclides. Several nuclear reaction codes are utilized for calculating the cross sections on each individual fission product—EMPIRE-2.19, TALYS-1.0, GNASH, and CoH. The influence of the FP isomers on the average cross sections is examined with TALYS. We investigate the dependence of the average cross sections on the number of FPs taken for averaging. It is shown that the average capture cross section is much more sensitive to the number of FPs included, compared with the (n,2n) and (n,3n) reactions. An intercomparison of the calculated cross sections with the different reaction codes is carried out. In the capture reaction, EMPIRE predicted lower cross section than TALYS and CoH owing to different default assumptions used in the γ-ray strength function modeling. Moreover, the preequilibrium models implemented in each code give different predictions for the neutron-emission reactions, although the differences are relatively small. We also discuss a difference between the macroscopic and microscopic calculation options in TALYS for the pre-equilibrium model, optical potential model, and γ-ray strength function. The predictive capability of the reaction codes for the capture reaction is examined by comparing their calculations with the ENDF data, which are based on measurements. Compared with the historic Foster and Arthur's evaluation, our new (n,2n) predictions are similar, although our capture predictions are almost an order of magnitude higher. Recommended cross sections for use in applications have been tabulated in ENDF-formatted files.
An Introduction to Surface Analysis by XPS and AES

Preface. Acknowledgements. Electron Spectroscopy: Some Basic Concepts. Electron Spectrometer Design. The Electron Spectrum: Qualitative and Quantitative Interpretation. Compositional Depth Profiling. Applications of Electron Spectroscopy in Materials Science. Comparison of XPS and AES with Other Analytical Techniques. Glossary. Bibliography.
Theoretical investigation of solar energy conversion and water oxidation catalysis

Solar energy conversion and water oxidation catalysis are two great scientific and engineering challenges that will play pivotal roles in a future sustainable energy economy. In this work, I apply electronic structure theory and molecular dynamics simulation methods to understand some of the detailed mechanisms behind solar energy conversion and water oxidation catalysis. I will present a detailed atomistic picture of charge separation processes at a donor-acceptor interface between two organic semiconductor materials in an organic photovoltaic device. This will be followed by an investigation of the water oxidation mechanism of a homogeneous ruthenium water-splitting catalyst and a heterogeneous cobalt phosphate water-splitting catalyst. I will also introduce several advances in theoretical methods that allow us to more accurately compute observables that are critically relevant to the operation and performance of these materials and devices. Thesis Supervisor: Troy Van Voorhis Title: Associate Professor
Design of high fastness acid dyes for silk: a chemometric approach

A chemometric strategy tor the design of acid dyes for silk is reported. A small set of representative dyes was selected by the technique of fractional factorial design, using the principal properties of the substituents as design variables. The selected dyes were synthesised and fastness properties on silk were measured. Wash fastness and light fastness values were related to the chemical structure by the partial least squares (PLS) method. The models were used to predict the fastness of new dyes of the same class and to optimise the structure.
Potentiality of Neem (Azadirachta indica) Powder in Rheology Modification of Oil-in-Water Emulsion

Rheology modification of the complex fluids has been addressed using the competency of the selected natural materials. This article reports the efficacy of the microparticles of the naturally available material neem (Azadirachta indica) powder as rheology modifier, which in turn offers better consistency, firmness, as well as nutrient value to the emulsions containing juice of Aloe barbadenis Miller, which can be effectively used for the preparation of foods, pharmaceuticals and personal care products. These results showed that the oil‐water emulsions containing aloe vera juice emulsified with coconut milk protein exhibited useful dynamic viscoelastic behavior, with improved consistency and rheology because of the addition of microparticles of neem. Neem microparticles offered higher yield stress and apparent viscosity. This rheology modifier material can potentially eliminate or reduce the use of synthetic chemical thickeners, texturizers, etc.
Intermediate phase evolution in YBCO thin films grown by the TFA process

The YBCO thin film growth process from TFA precursors involves a complex reaction path which includes several oxide, fluoride and oxyfluoride intermediate phases, and the final microstructure and properties of the films are strongly influenced by the morphological and chemical evolution of these intermediate phases. In this work we present a study of the evolution of the intermediate phases involved in the TFA YBCO growth process under normal pressure conditions and we show that the oxygen partial pressure during pyrolysis of the TFA precursors is an important parameter. The Cu phase after the TFA pyrolysis can be either CuO, Cu2O or a mixture of both as the oxygen partial pressure is modified. The kinetics evolution of the intermediate phases has been determined for films pyrolysed in oxygen and nitrogen atmospheres and it is concluded that non-equilibrium phase transformations influence the reaction path towards epitaxial YBCO films and its microstructure. The intermediate phase evolution in these two series of films is summarized in kinetic phase diagrams.