Miracle-dz/UniFAR-FTUs huggingface dataset:
Identification of β,β-turns and unordered conformations in polypeptide chains by vacuum ultraviolet circular dichroism

Abstract Different conformations of polypeptides were characterized by measurements of the circular dichroism (CD) extended into the vacuum ultraviolet region. (i) The linear β-pleated sheet structure was characterized in a broad ultraviolet region down to 165 nm by examination of copolypeptides composed of alternating hydrophobic and hydrophilic amino-acid residues, e.g., poly(Lys-Leu-Lys-Leu). A short-wavelength intense band was found at about 169 nm, which is characteristic of β-pleated sheet conformation. (ii) The β-turns were experimentally measured using poly(Ala2-Gly2) in a broad spectral region down to 165 nm with accuracy. The observed CD spectrum is in excellent qualitative agreement with the theoretical curve calculated by Woody for the β-turns of type II and/or I of Venkatachalam. The similarity in shape between the theoretical curve and the observed CD spectra suggests a dominance of β-turn segments in the poly(Ala2-Gly2) structure. The presence of β-turns in poly(Ala2-Gly2) is also in agreement with the characterization of this polypeptide by solid state methods (electron microscopy and x-ray diffraction). The CD spectrum of β-turns is characterized by a very intense band at 207.5 nm and strong negative bands at 191 and 169 nm. Copolypeptides such as poly(Ala2-Gly3) and poly(Ala3-Gly3) yielded a similar type of CD spectrum, analysis of which indicates that a large fraction of their residues is contained in β-turn regions. (iii) The CD spectrum of the unordered chain of these alternating copolypeptides in salt-free solution is observed in the vacuum ultraviolet region.
Evidence for ice VI as an inclusion in cuboid diamonds from high P-T near infrared spectroscopy

Abstract Near infrared absorption (NIR) spectra of natural morphologically cubic polycrystalline diamonds (cuboid) were obtained at room temperature, and the stretching plus bending combination band of molecular water was observed. The spectrum consisted of the main band at 5180 cm-1 due to liquid water and a shoulder at 5000 cm-1. The 5000 cm-1 band suggests the presence of a phase with stronger hydrogen bonding in inclusions in the diamond. This shoulder absorption decreased on heating to 120°C. The combination band of H2O at high pressure and temperature was measured using a resistively heated diamond cell and the pressure dependence of the peak position was obtained. Comparison with the present experimental results indicates that the spectral changes induced by heating of the cuboid corresponded to melting of a high-pressure form of ice, and the shoulder absorption at 5000 cm-1 arises from ice VI at 1.9 GPa. On the other hand, the liquid water, a main component of the fluid inclusions in the cuboid, was not under high pressure judging from the frequency of the combination band. This contrast might relate to the texture of the cuboid diamond. The spectral observation enables us to estimate the residual pressure of mantle fluid encapsulated in these diamonds. The diamond-cell data also provide high-P-T NIR fingerprint spectra that could be useful for identifying H2O phases and confining pressures in other samples.
Effects on Gluten Strength of LowMrGlutenin Subunits Coded by Alleles atGlu-A3andGlu-B3Loci in Durum Wheat

Abstract The storage proteins of the F2generation from three durum wheat crosses were analysed. Three new alleles were found at three different loci:Gli-B1(coding for gliadins), andGlu-B3andGlu-A3(coding for lowMrglutenin subunits), respectively. The effects of the allelic variation at theGlu-B1,Gli-A1/Glu-A3andGli-B1/Glu-B3loci on gluten strength, as measured by the SDS-sedimentation test, were determined using F3seeds from the three crosses. None of the allelic differences at theGlu-B1orGlu-A3loci had a significant effect on gluten strength. Allelic variation at theGlu-B3locus affected gluten quality significantly. A rank of the relative effect of theGlu-B3alleles on quality is proposed.
Adsorption of organic compounds from solution by activated carbons produced from waste tyre rubber

Activated carbons produced from waste tyre rubber have shown exceptional characteristics for the adsorption of organic species from solution. Adsorption capacities were found to be dependent primarily on the degree of activation and the molecular size of the adsorbate compound. For the purpose of this work, a series of activated carbons were produced by steam activation of waste tyre rubber at 925°C over a period of 80–640 min. The resulting carbons were investigated for their porosity, using nitrogen gas adsorption, and for their aqueous adsorption characteristics, using phenol, methylene blue, and textile dyes Turquoise H-A and Red H-E2B. Two widely used commercial adsorbents were also tested for comparative purposes. Aqueous adsorption data were modeled to the Langmuir equation in order to determine the adsorption capacities (X m) and affinity parameters (b) associated with each sample. Rubber-derived carbons proved superior to the commercial adsorbents for the removal of medium and large molecular weight compounds from solution, which was attributed to their extensive total micropore volume and external surface area.
Dehydrogenative Polymerization of Monolignols by Peroxidase and H2O2 in a Dialysis Tube. II. Estimation of Molecular Weights by Thermal Softening Method

Thermal softening was measured to determine the molecular weight and the molecular weight distribution of the insoluble lignin s. The thermal softening temperature (Ts) of DHP prepared by dialysis membrane method (175 °C) was higher than those of bamboo MWL (162 °C), Zutropfverfahren DHP (162 °C) and Zulaufverfahren DHP (134 °C). The results indicated that the DHP by dialysis membrane method has a higher molecular weight and a higher degree of cross-linked structure than MWL and other DHPs.
Large-eddy simulation of a turbulent reacting liquid flow

A subgrid-scale (SGS) model for the filtered reaction source term is presented to develop the large-eddy simulation (LES) of a nonpremixed, turbulent liquid flow with a moderately fast reaction. The SGS model is based on the SGS probability density function (PDF) and SGS conditional expectation. The SGS probability density function (SGS–PDF) is assumed to follow a beta distribution and a simple algebraic model for the SGS conditional expectation is developed using the filtered data obtained from the direct numerical simulation (DNS) of stationary isotropic liquid turbulence with a second-order chemical reaction. For a rapid reaction, the SGS–PDF model based on the conserved scalar is used as the SGS model. The LES based on these SGS models is applied to a liquid mixing layer flow downstream of a turbulence-generating grid with a chemical reaction, and the LES predictions of the mean concentration and concentration variance are directly compared with the previous measurements for both moderately fast and rapid reactions to examine the proposed SGS models. The results show that the predictions by the LES are in good agreement with the measurements and the present LES can well describe the diffusive–reactive process in a turbulent reacting liquid flow. © 2004 American Institute of Chemical Engineers AIChE J, 50: 2705–2720, 2004
Mycoplasma pneumoniae Infection with Bronchial Asthma in Children

The role of Mycoplasma pneumoniae in bronchial asthma has become an active area of investigation, however, the causes of initial onset of asthma will remain unclear and the causes and pathogenesis of this syndrome are not yet completely understood. The aim at this prospective study is to investigate the role of M. pneumonia infection and its relationship of bronchial asthma in children. This study is designed as a case-control study in which in which 45 patients of case group with mean age of 6.71±3.350 attending hospital with diagnosis of respiratory tract infections and bronchial asthma were included. 45 normal healthy patients who had no history of respiratory tract infections with mean age of 5.47±3.14 were also included as control group. Both groups of either sex, were age and sex matched. Presence of IgM antibodies to Mycoplasma pneumoniae was assessed by an ELISA technique in both groups. In the case group, 4 (9%) cases of 45 children were positive about anti-mycoplasma antibodies and all patients in control groups were negative. All case group patients had symptoms of acute pneumonia with bronchial asthma (100%) including all the four cases diagnosed with Mycoplasma pneumoniae infection. The Relative Risk (RR) for the occurrence of mycoplasma infection was estimated to be 9 with a p value of 0.1366. On applying to tests of significance of isolation from Mycolplasma pneumoniae among cases and controls groups, the result was found not to be statistically significant. From the present study, it can be concluded that infection with M pneumoniae does not have a direct role in the pathogenicity of bronchial asthma in most children. Despite of this, further studies are required to evaluate the risk of the coinfection with other pathogens and to establishes a correlation between Mycoplasma pneumoniae and the onset of asthma among children.
The Relationship of Self-Concept to Causal Attributions.

When people experience failures they search for an explanation of why the failure occured. The process of seeking the explanatory cause for failures is best captured in Attribution Theory. It seems logical, and is indeed relevant, to consider the relationship between causal attributions and self-concept. Literature on the topic of self-esteem and attributions is covered in this paper. From the research reviewed it is clear that the causes which people assign for failures reflect perceptions of self and of environment which are highly related to self-concept. The Relationship of Self-Concept to Causal Attributions
Management Accounting System, Perceived Environmental Uncertainty and Corporate Performance in the Nigeria Breweries Sector.

The study examined the effect of Perceived Environmental Uncertainty on the Implementation of Management Accounting Systems on performance of Breweries Companies in Nigeria. Survey design method was adopted to gather data from respondents using structured questionnaire designed using likert-scale. Data were analysed using correlational and inferential statistics. Results shows R2 of 0.759 and F-value of 172.88 which provide ample confirmation on the effect of adoption of Management Accounting Systems (MAS) based on Perceived Environmental Uncertainty (PEU) on organizational performance in the Breweries sector of the Nigeria economy following the high correlational positive relationship between the variable studied. It is concluded that adoption of Management Accounting systems based on perceived Environmental Uncertainties has enhanced the performance of the sector when tailored to the level of Environmental Uncertainties facing the Sector: It is recommended that contingent approach should be adopted in designing MAS so as to ensure provision of reliable and relevant information for product cost and pricing.
Understanding Semantics in Feature Selection for Fault Diagnosis in Network Telemetry Data

Expert systems for fault diagnosis are computationally expensive to build and maintain, and lack scalability and inherent adaptability to unknown events or modifications in the topology of the monitored system. While data-driven feature selection mechanisms can facilitate diagnosis without the hardship of developing and maintaining expert systems, purely data-driven mechanisms lack understanding of semantic importance within a feature set, and would benefit from additional domain knowledge. Part of this additional knowledge can be extracted from metadata. The proposed approach combines data-driven metrics and semantic information contained in the feature names to produce selections of features which best represent an underlying event. This study extends a cross entropy based optimization method to join semantic importance with data behavior. A benchmarking architecture is introduced to evaluate the benefits of semantic analysis, and demonstrate the performance and robustness of semantic feature selection on different types of faults in network telemetry datasets, modeled with the YANG data modeling language. The results illustrate the interest of such a complementary meta-data analysis for data-driven fault diagnosis, and highlight the robustness of the studied approach against variations in the input feature set.
Second-order perturbation theory with a complete active space self-consistent field reference function

The recently implemented second‐order perturbation theory based on a complete active space self‐consistent field reference function has been extended by allowing the Fock‐type one‐electron operator, which defines the zeroth‐order Hamiltonian to have nonzero elements also in nondiagonal matrix blocks. The computer implementation is now less straightforward and more computer time will be needed in obtaining the second‐order energy. The method is illustrated in a series of calculations on N2, NO, O2, CH3, CH2, and F−.
Dye−Host Interactions for Local Effects Recognition in Homogeneous and Nanostructured Media

Steady-state absorption and emission as well as time-resolved fluorescence spectra of NR (nile red) and ZnP (zinc tetraphenylporphyrin) were studied in a variety of solvents. All spectra were decomposed as a sum of Gaussian bands, and the spectral shifts found were analyzed in terms of the general solvatochromic theory. Ground state permanent dipoles, electronic spectra, and Onsager cavity radii were obtained for each dye in several solvents using intermediate neglect of differential overlap (INDO) software provided by ArgusLab. ZnP emission spectra also reveal the presence of a new band interpreted as due to an excitonic coupling between pairs of weakly interacting ZnP molecules. The center to center distance in these excitonic pairs was estimated. Studies were extended to the system ZnP−PVP (PVP refers to poly(vinylpyridine)), and its photophysical properties were determined. NR and ZnP were also incorporated into rigid matrixes of PS (polystyrene), PVP, SiO2, and TiO2. NR in these rigid media probes lo.
Image-based Thai Food Recognition and Calorie Estimation using Machine Learning Techniques

A wide range of health-related innovation have been developed to serve as an alternative personal health monitoring and tracking on exercise and dietary planning. The goal is to enable individuals to keep themselves healthy and disease-free. Assessing food calories helps to assist consumers in determining their calories intake each meal, leading to a strategy that regulates the amount of food they consume, and contributing to improve a control on nutrition consumption and weight loss. In this paper, we proposed a calorie estimation system on an android mobile application. Calorie estimation is performed using a food image captured from a mobile camera and the depth image from AR core library. The food area is segmented using our finetuned Mask R-CNN with Thai food image dataset. Finally, machine learning methods including Linear Regression, Support Vector Regression, K-Nearest Neighbor, and Deep Neural Network are used to estimate the amount of food calories included in a meal of each image. As a result, Deep Neural Network offers best prediction results with the most accurate prediction, the lowest error rate and the highest R-Square score.
Strengthening of degraded cellulosic material using a diamine alkylalkoxysilane

The physicochemical modifications in papers upon introducing AEAPMDMS (3 N-(2-aminoethyl)-3-aminopropylmethyl-dimethoxysilane) as a dry strength and deacidification agent were explored. The double amine functionality was shown to favor penetration in the cellulose fibers, with large uptakes being achieved at low concentration. In situ polymerization in the paper was demonstrated using 29Si CP-MAS and 1H NMR. The distribution of the compound inside and on the fibers' surface was evidenced with SEM-EDS and XPS. The deacidification efficacy was established. The strengthening effect was shown to arise from the interaction of AEAPMDMS with the fibers, and depended on the fiber composition (lignin content) and oxidation state, with a higher efficiency for the less degraded and less lignified fibers. In the most degraded papers, the occurrence of yellowing was interpreted as due to the formation of Schiff bases, where the amine functional group reacts with the carbonyl groups on the oxidized cellulose.
A Meta-Analysis of Middle School Students’ Science Engagement

The extent to which middle school students are engaged in required science courses is an elusive but increasingly documented phenomenon. Anecdotal and empirical evidence alike raise concern with a perceived decline in science engagement reported by students as they transition into the middle school setting. Even what it means to be engagé is not thoroughly agreed on. Though an agreed-on operational definition of engagement is still nascent, an emerging consensus on a three-faceted model of student engagement exists in the research literature (Fredricks, Blumenfeld, & Paris, 2004). Thus, a synthesis of existing primary research of early adolescents’ science engagement under this emerging conceptualization is warranted. The results of this meta-analysis indicate that instructional methods, class characteristics and competence predictors comprise the strongest relationship with self-reported science engagement in early adolescence. These predictors also show the strongest relationship with affective and cognitive engagement sub-types. Though affective and cognitive engagement were well-represented in primary studies, behavioral engagement was under-represented in student self-reports.
Rondine® PV concentrators: Field results and developments

In this work the experimental results of a new PV concentrator (named Rondine®) are presented. This concentrating module has a medium concentration level (∼25×) and employs silicon solar cells. The tests have been carried out in Italy and the energy production of a prototype module is compared with that produced from a tracking flat plate crystalline PV panel. The non‐imaging optics of the concentrator allows for larger angular acceptance with respect to many solar concentrators, giving us the possibility to employ trackers for standard PV modules. The first results of complete systems of 3·9 and 4·8 kW of peak power installed in summer 2008 are presented here. Copyright © 2009 John Wiley & Sons, Ltd.
A new method for the titration of free phenolic groups in pulps

Abstract A fast and semi-quantitative wet chemical method was developed for the titration of free phenolic groups in residual lignins of pulps. The method is based on selective chlorine dioxide reaction with phenolic units of lignin at 0°C. A known amount of ClO2 is reacted for up to 30 min with various substrates and ClO2 consumption is measured. Experiments with monomeric lignin-like model compounds, a dioxane/HCl lignin (isolated from kraft pulp), kraft pulp, and one thermomechanical pulp (TMP) were performed. The ideal stoichiometric consumption of 1 mol of ClO2 per Ar-OH was approximated in a few cases. More model compound experiments are necessary to establish the possibilities and limitations of the method, but the results of these preliminary experiments are promising. First studies on pulps and comparison of the data with those obtained by 13C NMR analysis on dioxane/HCl lignins showed some deviations in the first instance, which were attributed to reaction of the intermediates HClO and Cl2 involved in the overall mechanism. However, using DMSO as HClO trapping agent improved the ClO2/Ar-OH stoichiometric ratio close to the theoretical value of 2, which essentially yielded better results. This improved stoichiometry was verified for three model compounds, one kraft pulp and one TMP, yielding results were similar to those obtained by 13C NMR analysis.
Spongy Graphene as a Highly Efficient and Recyclable Sorbent for Oils and Organic Solvents

In this work, spongy graphene (SG), a shape‐mouldable and nanoporous material with a high specific surface area used as a versatile and recyclable sorbent material, is proposed and studied. SG shows highly efficient absorption of not only petroleum products and fats, but also toxic solvents such as toluene and chloroform (up to 86 times of its own weight), requiring no further pretreatment, which is tens of times higher than that of conventional absorbers. Moreover, SG can be regenerated (>10 times) by heat treatment, yielding the full release of adsorbates (>99%). The present work suggests SG a widespread potential for applications in industry as well as topics regarding environmental protection.
Modified cassava flour (MOCAF) content of cassava (Manihot esculenta CRANTZ) in North Sumatera

Research on Modified Cassava Flour (MOCAF) content in three cassava genotypes has been carried out at Laboratorium Sekolah Tinggi Penyuluh Pertanian, Jl. Binjai Km 10 Medan in November 2014. The research objective was to determine the MOCAF yield produced based on cassava genotypes in North Sumatra. Two genotypes and one variety of cassava were used as samples, Adira-1 (V1) variety, Malaysia (V2) and Merah/Gondoruwo (V3) genotypes. Fermentation using BIMO-CF starter with 24 hours soaking time. The results showed that MOCAF yield of three genotypes/varieties ranged from 33-38%. The highest yield was found in Malaysia genotype, followed by Merah/Gondoruwo and Adira-1, respectively 38%, 35% and 33%.
Characteristics of direct CO2 emissions in four full-scale wastewater treatment plants

AbstractDirect CO2 emissions from wastewater treatment plants (WWTPs), which are commonly excluded from the greenhouse gas emission inventory as proposed by the International Panel on Climate Change, should be partly taken into consideration, because some of the fossil organic carbons (i.e. detergents, cosmetics, and pharmaceuticals) are also biodegradable, leading to the emission of CO2 during wastewater treatment. For the purpose of understanding the characteristics of direct CO2 emissions during biological nutrient removal from urban WWTPs, we investigated four different processes. Full-scale tests were carried out continuously during a two-year period, consisting of the anoxic/anaerobic/oxic (A2O) process, the anoxic/oxic (AO) process, the oxidation ditch, and the sequencing batch reactor (SBR) processes. Our experimental results show large differences in CO2 fluxes in the various treatment tanks (or periods), e.g. the aerated units/periods in four different WWTPs all contributed more than 96.0% of th.
Proving a Petri net model-checker implementation

Petri nets are a widely used tool in verification through model-checking. In this approach, a Petri Net model of the system of interest is produced and its reachable states are computed, searching for erroneous executions. Compilation of such a Petri net model is one way to accelerate its verification. It consists in generating code to explore the reachable states of the considered Petri net, which avoids the use of a fixed exploration tool involving an "interpretation" of the Petri net structure. In this paper, we show how to compile Petri nets targeting the LLVM language (a high-level assembly language) and formally prove the correct-ness of the produced code. To this aim, we define a structural operational semantics for the fragment of LLVM we use. The acceleration obtained from the presented compilation techniques has been evaluated in [6].