Miracle-dz/UniFAR-FTUs huggingface dataset:
Sanitary Assurance at Biosolids Composting Facilities: Assessing the Efficiency of Temperature-Contact Time Criterion

Abstract Pathogen inactivation due to temperature exposure was studied in full-scale covered aerated static piles (CASP) treating municipal biosolids. The objectives of the study were to assess the impact of the temperature contact time on pathogen inactivation and to analyze whether the gradual increase in temperature, as occurs in compost piles, trigger a viable-but-non-culturable (VBNC) state. Twenty-two temperature probes imitating random particle behavior were seeded with Escherichia coli and Salmonella and introduced into the CASP. It was found that 92% of the compost pile experienced temperatures ≥55 °C for at least three consecutive days during the first stage of composting (36 days). This number rose to 93% after the pile was turned and composted for a further 20 days. At the end of active composting, the fecal coliforms level in the compost matrix, determined by culturing methods, was <103 MPN·g−1 total solids, while Salmonella was below its detection limit of <3 MPN·4 g−1 total solids. The molecular method indicated that there were live cells which had apparently entered a VBNC state. Nonetheless, it was concluded further study is needed to assess overall risk, since other factors such as pH, toxic compounds, and microbial competition and antagonism were excluded from this particular study. In future, as the techniques presented herein are refined, they may be useful for validating different types of composting technologies for sanitation effectiveness.
Room temperature synthesis of crystalline anatase TiO2 on bamboo timber surface and their short-term antifungal capability under natural weather conditions A Physicochemical and engineering aspects

A facile room temperature route was developed for growing crystalline anatase TiO2 on the bamboo timber surface by a unique hydrolysis of titanium complexes in the presence of H3BO3. The effect of aging time on TiO2 crystallinity on the bamboo timber surface was studied. The crystal phase, microstructure, and chemical composition of the anatase TiO2 formed on the bamboo timber surfaces were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), and transmission electron microscopy (TEM). XRD characterization on the samples showed that, for crystallization occurred at room temperature, the longer the aging time, the greater the crystallinity. The TiO2-coated bamboo samples look identical to the pristine samples as there is no essential effect on the optical properties of the bamboo timber surface. Moreover, the antifungal activity of TiO2 photo-catalytic reaction against mould fungi was investigated for bamboo timber under natural weather conditions during periods of 16 weeks. Results show that compared with the pristine bamboo timber, the anatase TiO2-coated bamboo timber presented more superior antifungal capability under natural weather conditions in Hangzhou, China.
Separation of Radiogallium from Zinc Using Membrane-Based Liquid-Liquid Extraction in Flow: Experimental and COSMO-RS Studies

ABSTRACT A switch from batch to continuous manufacturing of gallium-68 (68Ga) and 68Ga-labeled pharmaceuticals can be advantageous, as it recycles isotopically-enriched zinc-68 (68Zn), removes pre- and post-irradiation target manipulations, and provides scalability via dose-on-demand production. Herein we report efficient extraction of radiogallium (66,67,68Ga = *Ga) from ZnCl2/HCl solutions in batch and in flow using a membrane-based liquid-liquid separator. From 5.6 M ZnCl2/3 M HCl, a 1/2 (v/v) diisopropyl ether (iPr2O)/trifluorotoluene (TFT) solvent extracts 76.3 ± 1.9% of *Ga and 1.9 ± 1.6% of Zn in flow using a single pass through. From 1 M ZnCl2/6 M HCl, a 1/2 (v/v) n-butyl methyl ether (n-BuOMe)/TFT solvent extracts 95.7 ± 2.0% of *Ga and 0.005 ± 0.003% of Zn in flow. TFT plays a key role in controlling the interfacial tension between the aqueous and the organic phases, ensuring clean membrane-based separation. The process did not extract Cu, Mn, and Co but did extract Fe. Using HGaCl4 and ZnCl2 as the extractable species, the COSMO-RS theory predicts the solvation-driven extraction of Ga and Zn with a mean unsigned error of prediction of 4.0% and 3.4% respectively.
Hydrodynamic force and moment in pure rolling lubricated contacts. Part 1: Line contacts

Abstract Hydrodynamic rolling force and moments in line contact have been studied in detail using isoviscousrigid (IVR) and elastohydrodynamic (EHL) models. Using fully flooded assumptions, curve-fitted relationships are suggested for calculating the IVR and EHL hydrodynamic rolling force per unit length. At high speed and light load, EHL numerical results converge towards IVR results so that a single curve-fitted relationship has been derived for covering the full range of operating conditions with a rapid transition from IVR to EHL regime of lubrication. Results obtained are often close to published results (especially in the IVR regime). The EHL hydrodynamic rolling force per unit length is found to be load independent, while load exponents ranging from 0.01 to 0.37 can be found in the literature. A single relationship for both lubrication regimes (IVR and EHL) is given for deriving a starvation factor function of the ratio between the film thickness at the inlet meniscus and the fully flooded minimum film thickness. Finally, the calculation of the total power loss per unit length has also been conducted by integrating through the film and along the rolling direction the power loss per unit volume (defined as the product shear stress time shear rate). Results obtained are consistent with the calculation of the rolling force per unit length.
Electrochromic thin films of Zn-based MOF-74 nanocrystals facilely grown on flexible conducting substrates at room temperature

Electrochromic materials can reversibly switch color subject to the application of an externally applied electrical potential, making them useful for advanced applications such as smart windows, sensors, and electrochromic displays. To date, the development of electrochromic metal-organic frameworks (MOFs) is hampered by their insulating framework and nonredox active moieties. Herein, we demonstrate the use of the Guest@MOF concept to engineer electrochromic thin films, termed “DHTP@Zn-MOF-74,” grown on a flexible PET polymer substrate coated with a transparent indium tin oxide conductor. This electrochromic film reversibly switches between the (transparent) colorless ⇄ magenta states, by employing a relatively low cyclic voltage of 0 V and −2.5 V, and is tested under a variable scan rate ranging from 50 mV/s up to 1 V/s. This study could open the door to the discovery of new Guest@MOF electrochromic systems with tunable properties for energy applications.
Extraordinarily large kinetic isotope effect on alkene hydrogenation over Rh-based intermetallic compounds

ABSTRACT A series of Rh-based intermetallic compounds supported on silica was prepared and tested in alkene hydrogenation at room temperature. H2 and D2 were used as the hydrogen sources and the kinetic isotope effect (KIE) in hydrogenation was studied. In styrene hydrogenation, the KIE values differed strongly depending on the intermetallic phase, and some intermetallic compounds with Sb and Pb exhibited remarkably high KIE values (>28). An extraordinarily high KIE value of 91, which has never been reported in catalytic reactions at room temperature, was observed particularly for RhPb2/SiO2. RhPb2/SiO2 also showed high KIE values in the hydrogenation of other unsaturated hydrocarbons such as phenylacetylene and cyclohexene. The density functional theory calculation focused on the surface diffusion of hydrogen suggested no contribution of the quantum tunneling effect to the high KIE values observed. A kinetic study revealed that the dissociative adsorption of H2 (D2) was the rate-determining step in the styrene hydrogenation over RhPb2/SiO2. We propose that the large KIE originates from the quantum tunneling occurring at the hydrogen adsorption process with the aid of the specific surface structure of the intermetallic compound and adsorbate alkene. Graphical abstract
Recognizing self-citations via citation quality analysis

Self citations have so far been excluded from citation count. It is widely believed that such self citations do not have any significance than merely to increase the citation count of the article and improve the prestige of the author through citation count. Self citations should not always be avoided as the article may have been cited for genuine reasons. Analysis of self-citations helps in evaluating continuing research as well. This paper argues that self-citations must not be blindly excluded in citation counts when evaluating prestige value of a research paper/author. Experiments conducted on researcher’s self-citation dataset reveal that most self-citations show marginal improvement thus establishing researcher progress in the respective area of research.
DFT Analysis and Synthesis of Medicinally Important Pyrrolo[2,3-d]Pyrimidines by Using Thiamine Hydrochloride as a Recyclable Organocatalyst in Aqueous Media

Abstract A facile, environmentally benign and proficient route has been developed for the diverse synthesis of pyrrolo[2,3-d]pyrimidine derivatives followed by heterocyclization starting from Amino uracil, arylgyoxal and malononitrile/thiols. Readily available thiamin hydrochloride organocatalyst was used as a green promoting medium. As well as the reaction progress was taken place under aqueous media. This procedure also offers a base and metal free approach which endowed high yields with better functional group tolerating ability and mild reaction conditions. Further, methodology had a widescope with recyclability and reuse of thiamin hydrochloride. DFT/TD-DFT calculations with B3LYP/6-311G++ level of theory were used to study the optimized geometry and HOMO-LUMO energy of the synthesized compounds (4b and 6i).
Characterization of Methane Storage in Gas Shales Using NMR

Shaun Morgan Gidcumb: Characterization of Methane Storage in Gas Shales Using NMR (Under the direction of Yue Wu) Over the last twenty years technological innovations in the oil industry such as horizontal drilling and hydraulic fracturing have led to the so called ’shale revolution’, where gas shale has become one of the most important unconventional hydrocarbon reservoirs on the planet. Gas shale is a porous sedimentary rock composed primarily of compacted fine-grained clay particles which typically has porosoties less than 10%, pore diameters of a few nanometers, and the majority of the porosity is found in the organic matter of the shale. A current topic of debate and focus of research into gas shale reservoirs is how to accurately estimate the gas in-place of gas shale reservoirs, and what role if any does the organic carbon play in the storage potential of the gas shale. Gas shale samples with high and low organic carbon contents show evidence of absorption in the gas shale’s organic content and cooperative adsorption of methane due to confinement in gas shale nanopores respectively through an in situ proton nuclear magnetic resonance study of high pressure methane sorption isotherms on crushed gas shale samples. Currently, a combination of the estimated free gas and adsorbed gas that is contained in the prospective area is used to calculate the gas in-place, taking into account the formation’s pore size and formation pressure. Cooperative adsorption of methane due to confinement in nanopores provides evidence that there are effective pressures inside the nanopores higher than the pressure typically considered to be that of the shale formation. This mechanism allows for greater than expected densities of methane to be present at lower formation pressures, therefore understanding how this mechanism works in gas shales would allow for better gas in-place estimations, and hopefully increase the amount of natural gas that is
Nickle and Cobalt Spinel Catalyzing Wet Air Oxidation of Refractory Pollutants under Mild Condition

Refractory organic pollutants are critical issues in water or wastewater treatemnt, and catalytic wet air oxidation (CWAO) is a common method. To improve the efficiency and decrease the reaction conditions, a type of NiCo2O4 (NCO) spinel with urchin-like hollow strucutres was synthesized and used in CWAO of organics at low temperature and atmosphere pressure. Both scanning electron microscopy and X-ray photoelectron spectra were used to characterize NCO. The 3-D hierarchical architectures, solid state redox couple M2+/M3+ (M represents Ni or Co), and plenty of surface oxygen species were proved. Furthermore, the reaction path of CWAO with NCO as the catalyst was concluded, i.e. consecutive adsorption, surface oxidation, and re-oxidation of reduced NCO by O2. NCO showed excellent catalytic performance in CWAO of refractory organics, such as alkaline lignin and bisphenol A. The removal rates of total organic carbon exceeded 80% within 3 h. These findings promise a convenient and economical way for the treatment of refractory organics in water or wastewater.
Separation of coal with a top size of up to 6 mm in a full-scale REFLUX™ Classifier

ABSTRACT A 2 m diameter REFLUX™ Classifier was tested on coal feeds up to 6 mm top size. Solids feed rate was varied from 50 to 160 t/h at suspension concentrations up to 37 wt. % solids. Performance was consistent, with product ashes below 10 wt. % for +1 mm particles and reject ashes usually exceeding 70 wt. %. The density cut point could be freely varied and decreased with particle size to the power −0.114. Ep values less than 0.10 were obtained on the composite +0.5 mm material. Ep varied with particle size to the power −0.963. Hence, beneficiation performance for −4.0 + 0.50 mm material approached that of large dense medium cyclones (DMCs). Hence, REFLUX™ Classifiers could be used to increase the capacity of existing plants with minimal capital expenditure. The primary screen aperture size could be raised to around 4 mm, which should significantly increase screen capacity. The +4.0 mm fraction could be sent to the existing DMC circuit, which with a lower fines loading would have increased capacity and medium recovery. The −4.0 mm fraction could be sent to a REFLUX™ Classifier and if required its overflow could then be sent to a flotation circuit.
Structure-property relationship for kinetics of the amines-CO2 reaction in aqueous solutions

The post-combustion process by amine scrubbing is currently the most mature to reduce carbon dioxide emissions from industry. However, if there are numerous demonstrators, the investment and operating cost of this process are still too important to develop it in a large scale. The kinetics of reaction between the amine and the carbon dioxide is one of the major factor which influence the costs. The objectives of this work are to study and understand the kinetics of the amine-CO2 reaction and to set up of a predictive structure-property model. This approach is adapted to the large number of possible amines which can be candidates for the process. In a first time we study five kinds of amines (primary, acyclic secondary, cyclic secondary, tertiary and multi-amines) representatives of candidate molecules. Among those molecules, two behaviours can be distinguished: one the one hand amines which form carbamates and on the other hand those which do not form carbamates. Measurements have been realised at 25 °C in diluted solutions by stopped-flow technique to characterize the intrinsic kinetics of each of the 87 studied amines using two kinetic constants. For each kind of amine, the main structural factors, electronic and geometric, which impact the kinetics of reaction have been identified. Then, from a statistical model using molecular descriptors to describe the different parameters of each amine, a structure-property relationship has been set up with the different kinetic constants. A descriptor of the steric hindrance has been developed
Applications of Topic Models

How can a single person understand what’s going on in a collection of millions of documents? This is an increasingly widespread problem: sifting through an organization’s e-mails, understanding a decade worth of newspapers, or characterizing a scientific field’s research. This monograph explores the ways that humans and computers make sense of document collections through tools called topic models. Topic models are a statistical framework that help users understand large document collections; not just to find individual documents but to understand the general themes present in the collection. Applications of Topic Models describes the recent academic and industrial applications of topic models. In addition to topic models’ effective application to traditional problems like information retrieval, visualization, statistical inference, multilingual modeling, and linguistic understanding, Applications of Topic Models also reviews topic models’ ability to unlock large text collections for qualitative analysis. It reviews their successful use by researchers to help understand fiction, non-fiction, scientific publications, and political texts. Applications of Topic Models is aimed at the reader with some knowledge of document processing, basic understanding of some probability, and interested in many application domains. It discusses the information needs of each application area, and how those specific needs affect models, curation procedures, and interpretations. By the end of the monograph, it is hoped that readers will be excited enough to attempt to embark on building their own topic models. It should also be of interest to topic model experts as the coverage of diverse applications may expose models and approaches they had not seen before.
Identification of phenolic compounds from banana peel (Musa paradaisica L.) as antioxidant and antimicrobial agents

This study was carried out to investigate the chemical composition and biological activity of banana peel extracts; the efficiency of the different solvent systems: aqueous, 80 % methanol, 80% ethanol and 80% acetone was used for extraction of phenolic, flavonoid and tannin compounds. Banana peel relative antioxidants potential by four assays DPPHÂ·, Fe2+-chelating, Reducing power and ABTSÂ·+ inhibitor activities was evaluated. Analysis showed that the percentage of moisture, protein, crude fat and total carbohydrates were 88.10, 13.42, 7.57, 10.44 and 68.31 g/100g DW respectively. For mineral content, potassium is the major element found in banana peel was (9.39 % of DW) followed by magnesium, calcium, sodium and phosphorus were (0.71, 0.44, 0.18 and 0.09 % of DW), respectively. Also, the content of microelement including iron, manganese, zinc and copper were 96.50, 35.01, 27.95 and 3.37 ppm, respectively. Methanolic extract (80%) had the highest content of total phenolic, flavonoid and tannin were 17.89, 21.04 and 24.21 mg /g DW respectively. Most of acetone banana peel extracts (80%) was found to be highest antioxidant and antimicrobial activity at 600 ppm against gram positive and negative bacteria, fungi and yeast. The phenolic profiles of banana peel acetone extract was identified by HPLC. The main phenolic compounds was chyrsin, qurectein and catchin. These results clearly encourage the application of banana peel as a potent natural source of antioxidant and antimicrobial sources.
Epidote spherulites and radial euhedral epidote aggregates in a greenschist facies metavolcanic breccia hosting an UHP eclogite in Dabieshan (China): Implication for dynamic metamorphism

Epidote spherulites are identified in a greenschist facies metavolcanic breccia enclosing a body of coesite-bearing eclogite at Ganghe in the Dabie ultrahigh-pressure metamorphic belt, east-central China. The epidote spherulites are formed by fibrous, radially arranged, and rare earth element (REE)-rich epidote crystals (ΣREE = 0.13–0.36 (or slightly higher) cations per formula unit, cpfu) and interfibrillar REE-poor epidote (ΣREE ≤ 0.10 cpfu). Some of the epidote spherulites are overgrown by radially arranged euhedral epidote crystals, which also form aggregates around preexisting quartz, plagioclase, and/or epidote. The epidote grains in such aggregates display oscillatory zoning, with REE content varying from a negligible amount to about 0.44 cpfu. Epidote also occurs as REE-poor individual euhedral crystals about the radial epidote aggregates or form loose clusters of randomly oriented crystals. Thermodynamic modeling of the mineral assemblages in the plagioclase pseudomorphs and in the matrix shows that they formed at greenschist facies metamorphic conditions (435–515 °C and 5–7 kbar). The epidote spherulites and radial euhedral epidote aggregates, however, do not belong to these assemblages and are non-equilibrium textures. They imply crystal growth under large degrees of supersaturation, with relatively low ratios of the diffusion rate (D) to the crystal growth rate (G). At low D/G ratios, spiky interfaces are favorable for diffusion-controlled growth and the resultant texture is a collection of spikes around a growth center, forming a spherulite. The change of epidote texture from spherulite to radial euhedral crystal aggregate implies a decrease of supersaturation and an increase of D/G, such that the crystal morphology was controlled by its crystallographic structure. The crystallization of the individual epidote grains corresponds to a further drop of supersaturation and a further increase of the D/G ratio, approaching to the equilibrium conditions. Transiently higher P-T conditions are inferred from the spherulite-forming reactions, relative to the P-T estimates for the equilibrium assemblages. The fibrous crystals in the spherulites having relatively large interfacial energies would inevitably adjust their shapes to equilibrium ones with low interfacial energies if the P-T-H2O conditions were maintained for a sufficiently long period of time. The non-equilibrium epidote aggregates likely formed in response to P-T and fluid pulses, possibly related to seismicity.
Mg2+‐Alloyed All‐Inorganic Halide Perovskites for White Light‐Emitting Diodes by 3D‐Printing Method

All‐inorganic halide perovskites (CsPbX3, X = Cl−, Br−, and I−) are brought to the forefront of research focus in the field of modern lighting technology. However, due to the toxic element (Pb2+), environmentally friendly white‐light emissions are difficult to achieve, thus limiting their practical applications. Herein, high‐quality Mg2+‐alloyed CsPb1−x Mgx X3 (up to 20%) nanocrystals (NCs) are synthesized. The structural and optical properties are investigated. The application of these NCs in white‐light‐emitting diodes (LEDs) is also demonstrated. The incorporation of Mg2+ into CsPb1−x Mgx X3 NCs results in a lattice contraction without a change in structure and morphology, blue‐shifts in the photoluminescence emission, and increased bandgap. Then, the tunable emission (≈408–650 nm) is obtained by adjusting the compositions of different halides (for 20% Mg2+). Most importantly, for the first time, 3D printed thin color conversion layers for different color emitting NCs (green, yellow, and red) are stacked on top of the blue‐LEDs to achieve high‐quality white light emission. A bright neutral white‐light with a correlated‐color temperature of 5806 K, a high color‐rendering index of 89, CIE coordinates of (0.32, 0.33), a small Duv (<0.003), and high luminous efficacy of radiation of 280 lm W−1 is achieved.