Miracle-dz/UniFAR-FTUs huggingface dataset:
International Journal of Food Engineering Mathematical Models for Prediction of Rheological Parameters of Pineapple Juice

Rheological characteristics of pineapple juice have been investigated and rheological parameters were evaluated using rotational viscometer at temperatures 20, 30 and 40*C at concentration 26.77, 18.99 and 14 % total solids. The experimental results followed the power law model for the best fit and the values of flow behaviour index (n) was less than unity (0.08 to 0.87) at all temperatures and concentrations indicating the shear thinning (pseudoplasticity) nature of juice. An obvious correlation between consistency coefficient in the range of 0.1 37.16 Pa.sn and inverse absolute temperature has been exhibited by Arrhenius model. The Power equation indicated that the consistency coefficient increased non-linearly with an increase in concentration. Mathematical models were developed for prediction of the consistency coefficient as a function of temperature and concentration. A good agreement was observed between experimental and theoretical values of the consistency coefficient predicted by models. The magnitude of activation energy was found to be in the range of 3.67 to 4.62 kJ/mol.K.
Combining Kernel Partial Least-Squares Modeling and Iterative Learning Control for the Batch-to-Batch Optimization of Constrained Nonlinear Processes

A new approach to the optimal control with constraints is proposed to achieve a desired end product quality, and a modified kernel partial least-squares (KPLS) is used to build the combining model of nonlinear processes. The particle swarm optimization algorithm is used to solve the optimal problem. The contributions of the article are as follows: The modified KPLS is proposed for the optimal control purpose, and the optimal manipulated variables are computed for the next batch run based on modified KPLS. The proposed approach is applied to a bulk polymerization of styrene batch process and fused magnesium furnace. Simulation results show the proposed approach is effective for predicting the control profile of next batch run.
Reduction of ferric hemoglobin from Trematomus bernacchii in a partial bis-histidyl state produces a deoxy coordination even when encapsulated into the crystal phase

Crystallographic and spectroscopic evidences on Antarctic fish hemoglobins (AFHbs) have revealed that their ferric tetramers at physiological pH are in a mixed α(aquo-met)/β(bis-histidyl) coordination state and show a quaternary structure intermediate between the classical R and T states (H state). Ferric bis-histidyl adducts (hemichromes) have been also observed in some mammalian Hbs. In order to clarify whether hemichrome in AFHbs can be converted into a ferrous bis-histidyl adduct (hemochrome), at least in the crystal phase, chemical reduction of ferric hemoglobins from Trematomus bernacchii (HbTb) single crystals has been followed via Raman microscopy. The results of this analysis reveal that in HbTb, upon reduction, the bis-histidyl coordination is disrupted in favor of a penta-coordinated ferrous deoxy state, with no evidence of hemochrome. These data are in agreement with UV/Vis absorption spectra in solution. Furthermore, our data are also indirectly supported by the observation that upon reduction with dithionite, the ferric HbTb crystals crack and lose their diffraction power: in the crystalline state, the quaternary structure transition from the H to the T state is not compatible with the crystal packing. Altogether these data indicate that if bis-histidyl adducts have a functional significance in AFHbs, this function refers to a stable ferric state, or to a transient, though never detected, ferrous species.
Magnetothermodynamics of Single Crystal CuSO4·5H2O. V. Fields Along the β Axis. Thermodynamic Temperature without Heat Introduction below 0.5°K. A Reference at 0.035°K

The magnetic and thermodynamic properties of a 3.700‐cm‐diam spherical single crystal of CuSO4·5H2O have been investigated down to 0.02°K with fields along the β magnetic axis. Thirty‐eight magnetizations from unknown low temperatures to reference conditions were performed under adiabatic conditions, and 35 were essentially isentropes. These have been used to determine the thermodynamic temperature and heat capacity, both in and out of magnetic fields, without heat introduction. A temperature reference at 0.035°K has been suggested. It has been pointed out that proving a process to be isentropic is no guarantee that “frozen‐in” entropy and energy situations have not developed during the isentropic process, thus conserving nonequilibrium entropy. Entropy conserved in this way cannot be used as an equilibrium variable in determining temperature. It is evident that detailed methods of investigation designed to detect such nonequilibrium magnetic structural situations will be desirable. When “frozen‐in” entro.
Porous carbon nanofibers formed in situ by electrospinning with a volatile solvent additive into an ice water bath for lithium–sulfur batteries

The in situ formation of polyacrylonitrile (PAN) nanofibers with a porous structure was achieved by electrospinning ternary PAN/N,N′-dimethylformamide (DMF)/chloroform (CHCl3), and ternary PAN/DMF/tetrahydrofuran (THF) solution systems into a glass dish filled with ice water. These porous carbon nanofibers (pCNFs) are both mesoporous and microporous, and attained high specific surface areas without the requirement of physical or chemical activation, which is mainly due to the in situ evaporation of the volatile solvent additive and the dissolution of the solvent in the ice water bath. The synthesis process is simple and versatile. The effects of the precursor components, precursor concentration and the collection method on the morphology and size distribution of the fibers have been investigated. The obtained pCNFs with porous structures and large surface areas were then utilized as conductive matrices for sulfur (S) to form pCNFs/S nanocomposites. Electrochemical measurements show that the pCNFs/S nanocomposite can deliver ∼400 and ∼340 mA h g−1 after 50 cycles and 100 cycles at 0.5 C, corresponding to 80.1% and 68% capacity retention with a high Coulombic efficiency, respectively.
Understanding and guiding the phase inversion process for synthesis of solvent resistant nanofiltration membranes

Since its introduction in membrane technology in the 1960's, phase inversion by means of immersion precipitation has been widely studied for the preparation of membranes to be applied in the fields of microfiltration (MF) and ultrafiltration (UF). However, much less knowledge is available about this process in terms of integrally skinned asymmetric nanofiltration membranes, especially for more hydrophobic polymers applied in solvent resistant nanofiltration (SRNF). This review focuses on the preparation aspects of integrally skinned asymmetric membranes to be applied in the field of SRNF via phase inversion. It starts with the explanation of the basic principles of the phase inversion process, covering both thermodynamic and kinetic aspects. Further, it summarizes the parameters that significantly influence final membrane performance and morphology, including polymer type and concentration, casting solvent, additives, evaporation time, and temperature, humidity, membrane thickness, composition, and temperature of coagulation bath and post-treatment. Literature contained within this review constitutes the core references in the field of SRNF, but also several references on preparation of MF, UF, aqueous NF, and reverse osmosis (RO) membranes have been included to better clarify or illustrate certain aspects of the process. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42130.
Characterization and Chemical Composition of the Volatile Oils from Aerial Parts of Eryngium bungei Bioss. (Apiaceae) by Using Traditional Hydrodistillation, Microwave Assisted Hydrodistillation and Head Space Solid Phase Microextraction Methods Prior to GC and GC/MS Analyses: A Comparative Approach

Abstract The essential oils isolated from aerial parts of Eryngium bungei Bioss. by hydrodistillation (HD), microwave-assisted hydrodistillation (MWHD) and head space solid-phase microextraction (HS-SPME) techniques, were analyzed by means of GC and GC-MS methods. The main components of the water distilled oil were found to be borneol (44.4 %), isobornyl formate (14.7 %), isoborneol (9.2% ), 1,8-cineol (9.1 %) and camphor (7.9 %), while the oil extracted by MWHD method was mainly composed of yomogi alcohol (14.3 %), terpinolene (14.2 %), cumin alcohol (13.6 %), borneol (12.4 %), Z-β-ocimene (10.6 %) and sabinene (6.2 %). Furthermore, in the oil obtained by HS-SPME, the most abundant detected fractions were borneol (22.1 %), camphor (11.1 %), terpinolene (8.1 %), carvacrol (7.5 %) and yomogi alcohol (5.2 %). Despite of some differences present in the oils compositions, all of them were rich in oxygenated monoterpenes. The results confirm the high potential of MWHD, HS-SPME as advanced, environment compatible and promising instrumentations for reliable and fast analysis of the E. bungei volatile oil.
Testing of Water Treatment Copolymers for Compatibility with Polyamide Reverse Osmosis Membranes

Cationic polymers used in traditional water and wastewater treatment, in theory, will bind to the partially negatively charged polyamide membrane during reverse osmosis (RO) treatment. This study tested a variety of cationic, anionic, and nonionic polymers in terms of (1) aiding in turbidity removal when used in conjunction with alum coagulation [10 mg/L as Al2(SO4)3·14H2O], sedimentation, and dual-media filtration; and (2) their binding affinity toward a polyamide membrane. Binding affinity was tested by exposing polyamide RO membranes to 50 mg/L of each polymer for 48 h and then conducting attenuated total reflectance Fourier transform infrared (FTIR) spectroscopy on the membrane samples and principal-component analysis (PCA) of the FTIR spectra. Results from the turbidity removal tests showed that cationic polymers provided the lowest median effluent turbidity (0.03–0.11 NTU), followed by anionic polymers (0.06–0.08 NTU), and finally nonionic polymers (0.11–0.17 NTU). Although PCA of the FTIR spectra did detect differences in polymer-exposed membranes vs. a control, no discernable difference in RO membrane performance was observed. Therefore, under the conditions studied, the issue of “membrane poisoning ” caused by organic polymer absorption onto polyamide membranes was minimal. © 2005 American Institute of Chemical Engineers Environ Prog, 2005
Photocharged BiVO4 photoanodes for improved solar water splitting

Bismuth vanadate (BiVO4) is a promising semiconductor material for the production of solar fuels via photoelectrochemical water splitting, however, it suffers from substantial recombination losses that limit its performance to well below its theoretical maximum. Here we demonstrate for the first time that the photoelectrochemical (PEC) performance of BiVO4 photoanodes can be dramatically improved by prolonged exposure to AM 1.5 illumination in the open circuit (OC) configuration. Photoanodes subjected to such light treatment achieve a record photocurrent for undoped and uncatalysed BiVO4 of 3.3 mA cm−2 at 1.23 VRHE. Moreover, photoelectrochemical tests with a sacrificial agent yield significantly enhanced catalytic efficiency over the whole operating potential range, suggesting elimination of major losses at the semiconductor–electrolyte interface. Finally, we demonstrate that this so-called ‘photocharging’ technique induces a considerable cathodic shift in the photocurrent onset potential and increases the photovoltage extracted from BiVO4 photoanodes.
An experimental device for accurate ultrasounds measurements in liquid foods at high pressure

The use of high hydrostatic pressure to ensure safe and high-quality product has markedly increased in the food industry during the last decade. Ultrasonic sensors can be employed to control such processes in an equivalent way as they are currently used in processes carried out at room pressure. However, their installation, calibration and use are particularly challenging in the context of a high pressure environment. Besides, data about acoustic properties of food under pressure and even for water are quite scarce in the pressure range of interest for food treatment (namely, above 200 MPa). The objective of this work was to establish a methodology to determine the speed of sound in foods under pressure. An ultrasonic sensor using the multiple reflections method was adapted to a lab-scale HHP equipment to determine the speed of sound in water between 253.15 and 348.15 K, and at pressures up to 700 MPa. The experimental speed-of-sound data were compared to the data calculated from the equation of state of water (IAPWS-95 formulation). From this analysis, the way to calibrate cell path was validated. After this calibration procedure, the speed of sound could be determined in liquid foods by using this sensor with a relative uncertainty between (0.22 and 0.32) % at a confidence level of 95 % over the whole pressure domain.
Gas adsorption and diffusion in a highly CO2 selective metal–organic framework: molecular simulations

Grand canonical Monte Carlo and equilibrium molecular dynamics simulations were used to assess the performance of an rht-type metal–organic framework (MOF), Cu-TDPAT, in adsorption-based and membrane-based separation of CH4/H2, CO2/CH4 and CO2/H2 mixtures. Adsorption isotherms and self-diffusivities of pure gases and binary gas mixtures in Cu-TDPAT were computed using detailed molecular simulations. Several properties of Cu-TDPAT such as adsorption selectivity, working capacity, diffusion selectivity, gas permeability and permeation selectivity were computed and compared with well-known zeolites and MOFs. Results showed that Cu-TDPAT is a very promising adsorbent and membrane material especially for separation of CO2 and it can outperform traditional zeolites and MOFs such as DDR, MFI, CuBTC, IRMOF-1 in adsorption-based CO2/CH4 and CO2/H2 separations.
Gold−Sulfur Bonding in 2D and 3D Self-Assembled Monolayers: XPS Characterization

Although self-assembled monolayers (SAMs) of alkylthiols on planar gold (2D SAMs) and on gold nanoparticles (3D SAMs) have been intensely studied, the actual nature of the Au−S bonding remains poorly characterized. Comparison of the X-ray photoelectron spectroscopy (XPS) spectra of 2D and 3D SAMs and “reference” Au(I) complexes, sometimes referred to as Au(I) thiolate polymers, provides detailed insight into this problem. We report high-resolution XPS spectra and Au 4f7/2 and S 2p3/2 binding energies (BE) in 2D SAMs, 3D SAMs and the Au(I) thiolate complexes for two short-chain thiols (n-C4SH and n-C5SH). Sulfur 2p3/2 BE shifts are used to compare the different states of bonding in the SAM systems and the Au(I) complexes and establish that the S atom in the SAM systems bears a charge of about 0.2e. The 2D and 3D SAMs exhibit similar XPS characteristics and are both distinguishable from the Au(I) complexes. The origins of the observed BE values are discussed in the context of the nature of the gold substrat.
Design of Impedance Spectroscopy Based Structural Health Monitoring Sensors for Fatigue Damage Detection in Aluminum Beams

Piezoelectric sensors have been previously used for continuous structural health monitoring using impedance spectroscopy. However, three important issues still remain to be investigated for efficient design of such sensors, namely (i) the effect of sensor geometry on sensitivity of impedance based damage detection, (ii) the selection of frequency band for continuous health monitoring, and (iii) identification of damage quantification metric. In this study, we address these issues and report the results on aluminum beam subjected to mechanical fatigue. A commercially available Materials Testing Machine was used in order to perform a load controlled fatigue test (250–1350 lbs @ 20 cycles/sec) on a notched aluminum beam. Sensor geometry was optimized with the help of damage index metric based health monitoring. Next, optimized geometry was selected to further study the selection of frequency band with a new approach based on number of peaks in the impedance signature under identical testing conditions. The results of this study provide a benchmark for designing the sensors for structural health monitoring.
The effect of dietary protein source on the metabolism and performance of ewes in late pregnancy and early lactation

Three experiments were carried out to investigate the effects of dietary protein source on the metabolism and performance of straw fed, twin-bearing ewes in late pregnancy and early lactation. In the first experiment, 72 ewes were fed concentrate diets which contained either fishmeal or formaldehyde treated soya-bean meal. The concentrate was either fed alone, or at a reduced rate with feedblocks ad libitum in a two by two factorial design. Ewes fed fishmeal lost more condition after parturition and had lambs which grew quicker than ewes fed treated soya-bean meal (P<0.05). Ewes offered feedblocks produced colostrum with a higher immunoglobulin G (IgG) concentration at birth, had lambs with a higher litter weight than those fed concentrate alone (P<0.05). In the second experiment, 60 ewes were fed concentrates containing either untreated or formaldehyde treated rapeseed meal or field beans in a two by two factorial design with an additional control diet containing fishmeal. Ewes fed fishmeal had a higherpre partum condition score gain and had lambs which grew slower with a lower litter weight at 28 days than ewes fed all other diets. Ewes fed rapeseed meal had a higher total colostrum yield at birth than ewes fed field beans (P<0.05). Ewes fed formaldehyde treated protein sources had a reduced yield of total milk, protein, solids not fat and lactose at 21 days post partum than ewes fed untreated protein sources (P<0.05). In the third experiment, 44 ewes were fed concentrate diets containing either fishmeal, untreated soya-bean meal, formaldehyde treated soya-bean meal or formaldehyde treated soya-bean meal with added rumen protected methionine. Ewes fed formaldehyde treated soya-bean meal with added methionine produced colostrum between 12 and 16 hours post partum with a higher fat concentration and a higher yield of fat and crude protein than ewes fed fishmeal (P<0.05). Ewes fed formaldehyde treated soya-bean meal with added methionine had lambs which grew quicker and were heavier at 28 days of age than those fed fishmeal (P<0.05).
Semiempirical Theory of Excimer Luminescence

A semiempirical theory based on limited configuration interaction has been developed for the excimer luminescence of alternant hydrocarbons. The theory adequately accounts for (1) the energy of excimer luminescence (fluorescence and phosphorescence), (2) the linear relationship between the energies of the excimer fluorescence and the p band of the monomer, and (3) the near constancy of the energy difference between the monomer and excimer fluorescence.
Synthesis of a kinetically stable yttrium-90 labelled macrocycle–antibody conjugate

Lysine is a precursor for the synthesis of an aminobutyl C-functionalised tetra-azacyclododecane tetra-acid which has been linked to B72.3 antibody and may be labelled with 90Y to form a kinetically stable complex of potential use in radioimmunotherapy.
Selective Production of Superoxide Ions and Hydrogen Peroxide over Nitrogen- and Sulfur-Doped TiO2 Photocatalysts with Visible Light in Aqueous Suspension Systems

Superoxide ions (O2•−) and hydrogen peroxide (H2O2) produced by visible light irradiation were analyzed to investigate the photocatalytic reaction mechanism for commercially available nitrogen- and sulfur-doped TiO2 (BAPW25 and SJC). O2•− was detected by the chemiluminescence (CL) probe method with luminol, while the amount of H2O2 was measured as the CL intensity by the reaction with the luminol oxidized upon the addition of hemoglobin. By irradiation with 442-nm light, the S-doped TiO2 surpassed the N-doped TiO2 in the ability to produce O2•−, while the N-doped TiO2 surpassed the S-doped TiO2 in accumulating H2O2. The difference in the photocatalytic processes was attributed to the multivalence property of sulfur atoms which may promote the decomposition of H2O2.
BENCHMARKING OF TRANSMEMBRANE HELIX PREDICTION SERVERS

Transmembrane helices (TM helices) in integral membrane proteins consist of regions of 15–30 predominantly hydrophobic residues which form б-helices separated by polar linking chains. A transmembrane protein may have one TM helix (membrane anchor with which the protein attaches to the membrane) or several TM helices that often form a membrane channel (transporters, many receptors, reductases and pumps). Several algorithms exist for identification of potential TM helices. These methods achieve a 90–95 % true positive rate with a false positive rate of only a few percents (von Heijne, 1996). We benchmark ten most widely used TM-helix prediction servers using the consistency criterion: predictions for homologous proteins should be similar.
Hyperbranched polyester based on the core + AB2 approach: Synthesis and structural investigation

In this study, structural buildup studies during the synthesis of fifth-generation hyperbranched polyesters (HBPs) from 2-bis(hydroxymethyl) propionic acid (AB2) and glycerol (core) by a one-pot process were undertaken. The variations in the degree of polymerization, hydrogen bonding, rheology, and role of cyclization were studied by NMR, Fourier transform infrared spectroscopy, rheometry, and matrix-assisted laser desorption/ionization time of flight. The degree of branching was calculated at different time intervals from the integral peak areas of the terminal, linear, and dendritic repeating units of 1H-NMR and 13C-NMR. The rheology study performed on the HBPs revealed that hydrogen bonds played an important role in the determination of the melt viscosity. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
Scale-Up of Agitation Fluidized Bed Granulation by Neural Network.

Scale-up of wet granulation by agitation fluidized bed was conducted using a hierarchy neural network with a back-propagation learning. Scale-up characteristics of agaitation fluidized bed granulation were self-learned using a developed neural network system, and properties of size, size distribution, apparent density and shape factor of granules prepared by the commercial scale under various operating conditions (moisture content, agitator rotational speed and fluidization air velocity) were predicted. To confirm the method's validity, the predicted properties were compared with the actual granulation data. Good correlation was obtained beteen the predicted and the experimental data of agitation fluidized bed granulation. It was found that the neural network could be a reliable tool to analyze the scale-up characteristics of granulation, and to predict granule properties being produced by the unknown larger scale granulator.