Miracle-dz/UniFAR-FTUs huggingface dataset:
The carbon and hydrogen stable isotope composition of bacteriogenic methane: A laboratory study using a landfill inoculum

Anaerobic bacterial degradation of landfill waste produces a globally significant source of the greenhouse gas methane. Stable isotopic measurements of methane [δI3C(CH4) and δD(CH4)] can often fingerprint different sources of methane (natural vs. anthro‐pogenic) and help identify the bacterial processes involved in methane production. Landfill microbial communities are complex and diverse, and hence so too is the biogeochem‐istry of methane formation. To investigate the influence of (l) the methane formation pathway (acetoclastic methanogenesis and CO2 reduction), and (2) SD of water on the stable isotopic composition of landfill methane, two model butyrate‐degrading landfill systems were established. The systems were inoculated with domestic refuse from a landfill and incubated in the laboratory for 92 days. Both systems were identical except δD of water initially added to system 2 was 118% heavier than system 1. Between days 39 and 72 the systems were resupplemented with butyrate. Production of CH4 and.
PRELIMINARY STUDIES ON PHYSICAL AND NUTRITIONAL QUALITIES OF SOME INDIGENOUS AND IMPORTANT RICE CULTIVARS OF NORTH‐EASTERN HILL REGION OF INDIA

The northeastern hills of India are endowed with rich source of rice germplasm, which may be safely estimated about 9,000 accessions, excluding the redundancies. Even though much of the germplasm have been collected, studies on nutritional aspects of these local cultivars are still lacking. Fifteen important indigenous rice genotypes collected from different rice growing ecosystem of this region were studied for physical and nutritional qualities. Kernel color of the genotypes varied from white to dark purple. All the genotypes except Manipuri were of bold-grain type. Most of the genotypes studied have fat contents more than 2.0%. The protein content was found higher in Chahou angouba and Naga special. Five cultivars were identified as high-protein cultivars of rice, with 10–12.07% protein content. Amylose content varied from 2.27 to 24.5%. Most of long-grained genotypes recorded lesser amylose than short grained. Chahou varieties were found aromatic and glutinous, which demand higher market prices in local market. PRACTICAL APPLICATION The north-eastern hills of India are endowed with rich source of rice germplasm, and much of the germplasm have been collected, but studies on basic and advanced nutritional aspects of these local cultivars are still lacking. This part of India has valuable rice genotypes of strong aroma, glutinous characters and slender grains with high amount of protein, fat and fiber. Having not known to the rest of the world and even to indigenous end users, some of such cultivars have already been lost, and some more are at the verge of extinction. Quality evaluation done in the present study provided useful information on their commercial exploitation and utilization in breeding programs of nutritional enhancement of rice to fight malnutrition among rice-consuming population, which is largest in the world.
Adsorption isotherms, kinetics and mechanism of Pb(II) ions removal from aqueous solution using chemically modified agricultural waste

The removal of Pb(II) ions from aqueous solution by chemically surface modified Strychnos potatorum seeds (SMSP) was investigated. The surface modification of the adsorbent was confirmed by the FTIR and SEM analyses. The Freundlich adsorption isotherm model provides a better fit to the adsorption isotherm data. The maximum adsorption capacity of SMSP for Pb(II) ions was found to be 166.67 mg/g at optimum conditions of pH 5.0, contact time of 30 min, SMSP dosage of 2 g/L and temperature of 30°C. The adsorption kinetics for Pb(II) ions removal by the SMSP follows the pseudo-second order kinetic model. Adsorption mechanism of Pb(II) ions onto the SMSP was explained with the intraparticle diffusion, Boyd kinetic and Shrinking core models (SCM). The effective diffusivity values were calculated from the Boyd kinetic model: 7.723 × 10−12, 8.464 × 10−12, 6.877 × 10−12, 8.358 × 10−12 and 6.983 × 10−12 m2/s for the initial Pb(II) ions concentration from 100 to 500 mg/L, respectively. The diffusivity values were estimated from the SCM: 8.901 × 10−9, 8.586 × 10−9, 8.359 × 10−9, 5.368 × 10−9 and 4.318 × 10−9 m2/s for the initial Pb(II) ions concentration from 100 to 500 mg/L, respectively. The results suggest that SMSP can be used as an effective low-cost adsorbent for the Pb(II) ions removal.
Thermal Decomposition of Aluminum Chloride Hexahydrate

The decomposition rate of aluminum chloride hexahydrate (AlCl3·6H2O) was measured as weight loss at ambient pressure and elevated temperatures up to 270 °C. Such incomplete thermal decomposition produces a porous and reactive basic aluminum chloride [Al2O3·2HCl·2H2O or Al2(OH)4Cl2·H2O] which dissolves in water to give poly(aluminum chloride) used as an efficient flocculation agent. A slowly rising temperature method and very small sample masses, which minimize heat and mass transfer intrusions, were employed to determine intrinsic reaction rates. A fractional order kinetic equation of Arrhenius type was proposed for the decomposition and tested also against the results amassed by experiment in a constant temperature mode. This correlation allows the estimation of the reaction rate as a function of temperature and the extent of decomposition. It can be readily employed in modeling and simulation of the decomposition process. The contents of aluminum and chlorine in the decomposed solids were also explored .
Efficient, Large Area, and Thick Junction Polymer Solar Cells with Balanced Mobilities and Low Defect Densities

The high power conversion efficiencies (PCEs) of laboratory‐scale polymer‐based organic solar cells are yet to translate to large area modules because of a number of factors including the relatively large sheet resistance of available transparent conducting electrodes (TCEs), and the high defect densities associated with thin organic semiconductor junctions. The TCE problem limits device architectures to narrow connected strips (<1 cm) causing serious fabrication difficulties and extra costs. Thin junctions are required because of poor charge transport (imbalanced mobilities) in the constituent organic semiconductors. These issues are addressed using a combination of approaches to create thick junctions conformally coated on low sheet resistance metal grid TCEs. An essential feature of these thick junctions is balanced carrier mobilities, which affords high fill factors and efficient carrier extraction. Conformal coating is achieved by promoting enhanced intermolecular interactions in the coating solution using a high molecular weight polymeric semiconductor and appropriate solvent system. This combination of balanced mobilities, conformal coating and metallic grid TCEs is a simple and generic approach to the fabrication of defect‐free large area organic solar cells (OSCs). The approach is demonstrated with 25 cm2 monolithic devices possessing aperture‐corrected power conversion efficiencies of 5% and fill factors exceeding 0.5.
Piece-Wise Multiplicative Scatter Correction Applied to Near-Infrared Diffuse Transmittance Data from Meat Products

This paper presents a nonlinear scatter correction method, called piece-wise multiplicative scatter correction (PMSC), that is a further development of the multiplicative scatter correction (MSC) method. Near-infrared diffuse transmittance (NIT) data from meat and meat product samples were used to test the predictive performances of the PMSC and the MSC methods. With the use of PMSC, the prediction errors, expressed as the root mean square error of prediction (RMSEP), were improved by up to 36% for protein, up to 55% for fat, and up to 37% for water, in comparison to uncorrected data. The corresponding improvements by using PMSC compared to MSC were up to 22%, 24%, and 31% for protein, fat, and water, respectively.
Analysis of a Simple Test Device for Tribo‐Electric Charging of Bulk Powders

We have developed a simple device to characterise the tribo‐electric charging propensity of powders. A sample of around one gram of powder is shaken in a container by reciprocal strokes in a horizontal direction. The electric charge on the powder is quantified by a Faraday cup before and after shaking. In this paper, we analyse the operation of this simple test device by investigating the behaviour of α‐lactose monohydrate (α‐LM), hydroxy propyl cellulose (HPC) and a 50 : 50 binary mixture (by mass) of these two powders with various container surfaces commonly used in the pharmaceutical industry. The experiments are carried out in controlled environmental conditions and using different shaking times and frequencies of 10, 20 and 30 Hz. The experimental results show that the saturated charge is independent of the shaking frequency. Furthermore adhered particles coating the inner surface of the shaking container decrease the net amount of charge generated by up to 50 %.
Improving Adsorption Dryer Energy Efficiency by Simultaneous Optimization and Heat Integration

Conventionally, energy-saving techniques in drying technology are sequential in nature. First, the dryer is optimized without heat recovery and then, based on the obtained process conditions, heat recovery possibilities are explored. This work presents a methodology for energy-efficient adsorption dryer design that considers sensible and latent heat recovery as an integral part of drying system design. A one-step pinch-based optimization problem is formulated to determine the operating conditions for optimal energy performance of such an integrated system subject to product quality. Because the inlet and target stream properties of the heat recovery network are determined by the adsorption drying conditions, they are unknown a priori and thus are determined simultaneously within the overall optimization using the pinch location method. Energy balances are written above and below the various pinch point possibilities and the optimal pinch point is that which minimizes the amount of external heating utility required while satisfying drying and thermodynamic constraints. Results for a single-stage zeolite adsorption drying process with simultaneous heat recovery optimization show a 15% improvement in efficiency compared to a sequentially optimized system. The improvement is traceable to alterations in enthalpy-related variables like temperatures and flow rates. The discrepancy in optimal operating conditions between the sequential and simultaneous cases underscores the need to change system operating conditions when retrofitting for heat recovery because previous optimal conditions become suboptimal when heat recovery is introduced. Also, compared to a conventional dryer (without an adsorption process) operating under similar conditions, energy consumption is reduced by about 55%.
Exploiting gradients in cross-link density to control the bending and self-propelled motion of active gels

Oscillating polymer gels undergoing the Belousov–Zhabotinsky (BZ) reaction provide an ideal medium for probing the interplay between chemical energy and mechanical action. Inspired by recent experiments, we use computational modeling to determine how gradients in crosslink density across the width of a sample can drive long, thin BZ gels to both oscillate and bend, and thereby undergo concerted motion. Free in solution, these samples move forward (in the direction of lower cross-link density) through a rhythmic bending and unbending. Our simulations allow us to not only isolate optimal ranges of parameters for achieving this distinctive behavior but also provide insight into the dynamic coupling between chemical and mechanical energy that is needed to produce the self-sustained motion. We then model samples that are mechanically constrained by their attachment to a flat, rigid surface. By varying the concentration of the reagents in the solution, we show that the undulations of the sample's free end can be significantly modified, so that the overall motion can be directed either upwards or downwards. The findings from these studies provide guidelines for creating autonomously moving objects, which can be used for robotic or microfluidic applications.
The Structure and Bonding of Au25(SR)18 Nanoclusters from EXAFS: The Interplay of Metallic and Molecular Behavior

While recent advances in the synthesis and crystallography of gold–thiolate nanoclusters have led to enormous progress in understanding the structure and bonding of gold thiolate nanomaterials, the changes in structure experienced by these nanomaterials in different conditions, such as low temperature and solvation, is still largely lacking. Herein, we report a temperature- and solvation-dependent extended X-ray absorption fine structure (EXAFS) study of thiolate-protected Au25 nanoclusters. The structural changes experienced by Au25 in response to low temperature and different solvation environments are illustrated in great detail using a site-specific EXAFS fitting approach consisting of one Au–S and three Au–Au shells. EXAFS simulations as well as ab initio calculations of the local density of states are used to support the EXAFS analysis and correlate the structural characteristics of Au25 with its electronic properties. These experimental and theoretical studies point out the existence of the interpl.
Optical emission due to space charge effects in electrically stressed polymers

Electrical wear-out and dielectric breakdown of insulating polymers involve dissipation to the lattice of the energy of mobile or trapped space charges. Optical emissions are proof of such energy releases and can be used to define the onset of electrical aging and to investigate the dissipation mechanisms. They also could provide a basis for monitoring the degradation rate. The situation considered is that of a material subjected to a voltage stress in the absence of any gas discharge, i.e., the light does not originate from a gaseous plasma. Depending on the type of material and experimental configuration, light emission can be due to excited states of the solid itself and/or of dissolved or adsorbed gas molecules. The polymers of concern are practical materials used as electrical insulation in cables, capacitors, motors, transformers, etc. This review attempts to bring together the published data on electroluminescence of insulating polymers and to discuss the relationship between light emission, space charge, and polymer degradation.
Graphene oxide–chitosan composite hydrogels as broad-spectrum adsorbents for water purification

Water pollution is one of the most pervasive problems afflicting people throughout the world, while adsorption is the most widely used method to remove the contaminants from water. Here, in this paper, we report an eco-friendly graphene oxide–chitosan (GO–CS) hydrogel as a new type of adsorbent for water purification. The GO–CS hydrogels were prepared via self-assembly of GO sheets and CS chains. A three-dimensional network composed of GO sheets crosslinked by CS was found in GO–CS hydrogels. The GO–CS composite hydrogels showed high adsorption capacity towards different contaminants, including cationic and anionic dyes, as well as heavy metal ions. The mechanism of the dye adsorption was investigated with a spectral method, and an electrostatic interaction was found to be the major interaction between ionic dyes and the hydrogel. The influence of the hydrogel composition on the adsorption capacity towards different adsorbates was also studied. Finally, it was demonstrated that the GO–CS hydrogel can be used as column packing, to fabricate a column for water purification by filtration.
Determining the shape and periodicity of nanostructures using small‐angle X‐ray scattering

The semiconductor industry is exploring new metrology techniques capable of meeting the future requirement to characterize three-dimensional structure where the critical dimensions are less than 10 nm. X-ray scattering techniques are one candidate owing to the sub-A wavelengths which are sensitive to internal changes in electron density. Critical-dimension small-angle X-ray scattering (CDSAXS) has been shown to be capable of determining the average shape of a line grating. Here it is used to study a set of line gratings patterned via a self-aligned multiple patterning process, which resulted in a set of mirrored lines, where the individual line shapes were asymmetric. The spacing between lines was systematically varied by sub-nm shifts. The model used to simulate the scattering was developed in stages of increasing complexity in order to justify the large number of parameters included. Comparisons between the models at different stages of development demonstrate that the measurement can determine differences in line shapes within the superlattice. The shape and spacing between lines within a given set were determined to sub-nm accuracy. This demonstrates the potential for CDSAXS as a high-resolution nanostructure metrology tool.
Dramatic reduction of the oxygen vacancy formation energy in ceria particles: a possible key to their remarkable reactivity at the nanoscale

We address the formation of the energetically most favourable single oxygen vacancies in ceria nanoparticles (CeO2)n focusing on their size dependence. We study a series of structures with increasing number of CeO2 units (n = 21, 30, 40 and 80) that, according to well tested interatomic-potential calculations, approach the global minima for these particle sizes. The structures thus obtained are refined by means of density functional (DF) methods, modified by the on-site Coulomb correction. Subsequent DF calculations are performed to quantify and analyse the depletion of atomic O from the nanoparticles that results in the formation of a vacancy Ovac. We show that (i) removal of a low- (two-)coordinate O atom from ceria species requires the lowest energy, in line with evidence from other metal oxides; (ii) the depletion of such O atoms from the nanoparticles is strongly facilitated compared to extended (even irregular) surfaces; (iii) increase of the particle size is accompanied by a dramatic decrease of the Ovac formation energy, implying that at certain sizes this energy should reach a minimum; (iv) the size dependence of the Ovac formation energy is driven by the electrostatics, thus enabling the prediction of the most easily removable O atoms by analysing the distribution of the electrostatic potential in the pristine stoichiometric (vacancy-free) ceria systems. Our findings provide a key to rationalize the observed spectacularly enhanced reactivity of ceria nanostructures.
Development of anomalous diffusion among crowding proteins

In cell membranes, proteins and lipids diffuse in a highly crowded and heterogeneous landscape, where aggregates and dense domains of proteins or lipids obstruct the path of diffusing molecules. In general, hindered motion gives rise to anomalous transport, though the nature of the onset of this behavior is still under debate and difficult to investigate experimentally. Here, we present a systematic study where proteins bound to supported lipid membranes diffuse freely in two dimensions, but are increasingly hindered by the presence of other like proteins. In our model system, the surface coverage of the protein avidin on the lipid bilayer is well controlled by varying the concentration of biotinylated lipid anchors. Using fluorescence correlation spectroscopy (FCS), we measure the time correlation function over long times and convert it to the mean-square displacement of the diffusing proteins. Our approach allows for high precision data and a clear distinction between anomalous and normal diffusion. It enables us to investigate the onset of anomalous diffusion, which takes place when the area coverage of membrane proteins increases beyond approximately 5%. This transition region exhibits pronounced spatial heterogeneities. Upon increasing the packing fraction further, transport becomes more and more anomalous, manifested in a decrease of the exponent of subdiffusion.
Specific energy consumption in electrochemical treatment of food industry wastewaters

BACKGROUND: Specific energy consumption (SEC) is an important factor in electrochemical treatment of wastewaters. SEC during electrochemical treatment of food industry wastewaters, specifically deproteinated whey wastewater (DWW), simulated sugar beet factory wastewater (SFW) and fruit juice factory wastewater (FJW), were investigated in this study. The effects of operational parameters applied voltage, and electrolyte and wastewater concentrations on SEC were assessed and optimized. RESULTS: SEC values were found in the range of 0.27–148.65, 0.94–375.76 and 0.20–636.40 kWh (kg COD)−1 for DWW, SFW and FJW, respectively, after 8 h of reaction. Operational parameters were optimized at 25 °C through response surface methodology (RSM) where applied voltage was kept in the range (2–12 V), wastewater concentration and COD removal percent were maximized electrolyte concentration and SEC were minimized. Optimum conditions were estimated as 7.73 V applied voltage and 100% wastewater concentration in the presence of 27.11 g L−1 supporting electrolyte concentration to achieve 25.02, 67.74 and 43.10% COD removal for DWW, SFW and FJW with corresponding SEC values of 17.85, 22.79 and 80.47 kWh (kg COD)−1, respectively. CONCLUSIONS: Providing further research on the reduction of SEC values, application of electrochemical treatment to food industry wastewaters with non-biodegradable components may become an alternative to conventional methods. Copyright © 2012 Society of Chemical Industry
Carbon nanotubes@metal–organic frameworks as Mn-based symmetrical supercapacitor electrodes for enhanced charge storage

A hybrid material of carbon nanotubes (CNTs) and Mn-based metal organic frameworks (Mn-MOF) was synthesized and used as a Mn-based supercapacitor electrode material. The incorporation of CNTs into Mn-MOF led to an inherent improvement in conductivity and an intrinsic increase in specific capacitance (from 43.2 F g−1 for pure Mn-MOF to 203.1 F g−1 for CNTs@Mn-MOF). Furthermore, the symmetrical supercapacitor based on the CNTs@Mn-MOF exhibited excellent power density and outstanding stability even after 3000 cycles with 88% retention of the initial capacitance. This research exploited a new direction for developing Mn-based supercapacitor materials and provided an effective method to improve capacitive performance of MOFs materials.
On chirality measures and chirality properties

It is shown that chiral zeroes are integral to all pseudoscalar functions, and that these functions, and thus the chirality properties that are described by them, are therefore normally unsuitable as chirality measures. The multidimensional nature of chirality properties is explored. Chirality measures for nonrigid objects and stochastic systems are discussed. It is shown that if the chirality of a nonrigid object is described as a time average of the chirality measures of its instant configurations, this time average is nonzero not only for chiral but also for achiral molecules. This paradox can be resolved if chirality measures are properly applied to nonrigid objects.Key words: chirality, chiral zeroes, chirality measures, chirality properties.
Ionization of Metastable 2P-State Hydrogen Atoms by Electron Impact for Coplanar Asymmetric Geometry

The triple differential cross-sections of First Born approximation have been calculated for ionization of metastable 2P-state hydrogen atoms by electron impact in the asymmetric coplanar geometry. In this study a multiple scattering theory of ionization of hydrogen atoms is used. The latest results of the present method are compared with other calculations. It will be added for new experimental study of ionization of hydrogen atoms in their metastable states.