Miracle-dz/UniFAR-FTUs huggingface dataset:
Comparison of the Composting Performance of Four Different Sewage Sludge Amendments

ABSTRACT. High moisture content of sewage sludge is a major constraint in composting, and therefore sewage sludge needs to be mixed with bulking agents that have a high water absorption ratio and better structural stability. In this study, dewatered sludge has been mixed with four different bulking agents in terms of physicochemical properties, with a 1:1 (v/v) proportion of sawdust (SW), hazelnut husk (HH), corn straw (CS), or pine litter (PL), and the composting performances of bulking agents were investigated by considering temperature rise, CO2, H2S evolution, organic matter (OM) removal, C/N ratio, and dissolved organic carbon (DOC) removal. Three of the mixtures, namely, HH, PL, and SW, provided better initial composting conditions, ensuring an appropriate water–air balance within the compost matrix. CS was not able to supply sufficient porosity due to the smaller water absorption ratio and higher degradation rate, which induced anaerobic conditions. Among the mixtures, a higher and faster temperature rise (max 56.5°C) and CO2 release was provided by HH, while OM removal (53%) and DOC degradation were higher with the CS mixture, despite the low temperature rise and low peak value of CO2 release. Relatively low degradable carbonaceous contents of SW delayed all the composting indicators measured in the study. HH significantly enhanced bioreactions and accelerated the stability of sludge compost by providing both structural stability and a readily available carbon source, significantly shortening the composting time.
Augmented Phytoextraction of Lead (Pb2+)-Polluted Soils: A Comparative Study of the Effectiveness of Plant Growth Regulators, EDTA, and Plant Growth–Promoting Rhizobacteria

Abstract The role of gibberellic acid (GA3), indole-3-acetic acid (IAA), plant growth–promoting bacteria (Rhizobium and Azotobacter), and a synthetic chelator (EDTA; ethylenediaminetetraacetic acid) in lead (Pb) phytoextraction was evaluated using Parthenium hysterophorus (dicot, unpalatable noncrop) and Zea mays (monocot food/forage crop) plants at the flowering stage. Various plant parts were analyzed by atomic absorption/flame spectrophotometer for their Pb content. Both plant growth regulators and both growth-promoting bacteria significantly increased the plant growth in Pb-polluted soils, whereas EDTA significantly decreased growth and biomass of both plants. EDTA increased the Pb uptake (μg g−1 dry biomass), but the total plant Pb accumulation was decreased. GA3 and IAA significantly increased both uptake and translocation, and the maximum total Pb in the entire plant of Parthenium was found with GA3 foliar spray, whereas in Z. mays the total Pb was maximum in the plant treated with GA3 in combination with EDTA, followed by the GA3 foliar spray treatment. Overall, the GA3 foliar application showed superior response compared with all other treatments. Further research is recommended to observe the role of endogenous GA3 levels in correlation with metal phytoextraction in different plants.
2-methyl-4-(4-pyridyl)-3-butyn-2-ol : a two-dimensional hydrogen-bond network

The asymmetric unit of C 10 H 11 NO consists of two chemically similar but crystallographically distinct molecules of 2-methyl-4-(4-pyridyl)-3-butyn-2-ol which are linked via a head-to-tail hydrogen bond between the pyridine N atom of one molecule and the hydroxyl H atom of another, forming a zigzag chain in the ac plane in the direction of the c axis
Effect of Particle Size on the Performance of an N95 Filtering Facepiece Respirator and a Surgical Mask at Various Breathing Conditions

The effect of aerosol particle size on the performance of an N95 filtering facepiece respirator (FFR) and a surgical mask (SM) was evaluated under different breathing conditions, including breathing frequency and mean inspiratory flow (MIF) rate. The FFR and SM were sealed on a manikin headform and challenged with charge-equilibrated NaCl aerosol. Filter penetration (P filter) was determined as the ratio of aerosol concentrations inside and outside the FFR/SM size-selectively (28 channels) within a range of 20 to 500 nm. In addition, the same models of the FFR and SM were donned, but not sealed, on an advanced manikin headform covered with skin-like material. Total inward leakage (TIL), which represents the total particle penetration, was measured under conditions identical to the filter penetration experiment. Testing was conducted at four mean MIFs (15, 30, 55, and 85 L/min) combined with five breathing frequencies (10, 15, 20, 25, and 30 breaths/min). The results show that SM produced much higher P filter and TIL values, and thus provide little protection against aerosols in the size range tested. P filter was significantly affected by particle size and breathing flow rate (p < 0.05) for the tested FFR and SM. Surprisingly, for both devices, P filter as a function of the particle size exhibited more than one peak under all tested breathing conditions. The effect of breathing frequency on P filter was generally less pronounced, especially for lower MIFs. For the FFR and SM, TIL increased with increasing particle size up to about 50 nm; for particles above 50 nm, the total penetration was not significantly affected by particle size and breathing frequency; however, the effect of MIF remained significant. Copyright 2013 American Association for Aerosol Research
Phase relations among selenides, tellurides, and oxides; II, Applications to selenide-bearing ore deposits

The stability fields of binary selenide minerals calculated thermodynamically relative to native elements, sulfide, telluride, and oxide minerals as a function of temperature have been used to characterize the genesis of selenide-bearing deposits. Selenide-bearing hydrothermal deposits are restricted mainly to four major types: "telethermal" selenide vein-type deposits, unconformity-related deposits, sandstone-hosted uranium deposits, and Au-Ag epithermal volcanic-hosted deposits. The selenide minerals in telethermal selenide vein-type and selenide-bearing unconformity-related uranium deposits formed from hydrothermal fluids at conditions within the stability field of hematite, between 5.8 and 7 log units in the f (sub O2(g)) above the hematite-magnetite (HM) buffer (at 100 degrees C), and with an f (sub Se2(g)) /f (sub S2(g)) ratio higher than unity. These high f (sub O2(g)) conditions enhance the separation of selenium from sulfur, leading to a high f (sub Se2(g)) /f (sub s2(g)) ratio and deposition of a diverse group of selenides. Selenide deposition was not significantly influenced by wall-rock buffers, but late reequilibration and dissolution of some earlier formed selenides, such as krutaite (CuSe 2 ), probably occurred in some selenide-bearing unconformity-related uranium deposits. Mineral parageneses in sandstone-hosted uranium deposits suggest that they formed at higher f (sub Se2(g)) and lower f (sub O2(g)) (0-5.8 log units above the hematite-magnetite buffer at 100 degrees C) than did unconformity-related uranium deposits and selenide vein-type deposits. The selenide-bearing Au-Ag epithermal, volcanic-hosted deposits were formed from hydrothermal fluids with f (sub O2(g)) below or near the hematite-magnetite buffer and at an f (sub Se2(g)) /f (sub S2(g)) ratio lower than unity. Low f (sub Se2(g)) /f (sub S2(g)) ratios and the presence of sulfide assemblages that buffer f (sub Se2(g)) and f (sub S2(g)) prevent the enrichment of selenium in the hydrothermal fluid and deposition of selenide minerals except for silver selenides. Therefore, a selenium-rich, relatively reduced (e.g., below the hematite-magnetite buffer) hydrothermal fluid can deposit only silver selenides; no other selenide minerals can deposit from a fluid of this type. An oxidizing environment (e.g., close to the anglesite-galena buffer) is essential to form most selenide minerals. The actual mineralogy and the amount of selenide minerals that form from such an oxidizing fluid is a function of f (sub Se2(g)) and ultimately reflects the concentration of selenium in the fluid. A selenium-rich fluid alone can account for the presence of silver selenides in epithermal Au-Ag deposits, but both an oxidizing and a selenium-rich fluid is required to form the selenide mineral assemblages observed in telethermal selenide vein, unconformity-related, and sandstone-hosted uranium deposits.
Static and dynamic behavior of the vortex–electrohydrodynamic instability in freely suspended layers of nematic liquid crystals

The vortex–electrohydrodynamic instability occurring in thin freely suspended layers of some nematic liquid crystals is investigated. The vortex pattern is observed both in the anisotropic and in the isotropic phase of the nematic liquid crystal. In this paper, we study the behavior of the vortex pattern when dc and ac electric fields are applied parallel to the free surfaces. The threshold electric field of the instability is measured as a function of the temperature, the thickness and the electric conductivity of the sample. In order to explain the main features of the vortex regime, we develop a new isotropic electrohydrodynamic model based on surface electric forces, which shows a satisfactory agreement with the experimental results.
Pyroxene from martian meteorite NWA856: Structural investigations by X-ray and neutron diffraction

Abstract Despite high mosaicity and complex micro structures in pyroxenes from Mars average occupancies and average atomic positions of pigeonite were determined from X-ray single crystal and neutron and X-ray powder diffraction data. The chemical composition of selected single crystals varied between En39Fs55Wo6 and En60Fs34Wo6. The average composition of the whole sample was determined from powder diffraction to be about En43Fs51Wo6. The ordering of the cations on the M1 and M2 positions, expressed by a partitioning or distribution coefficient KD, in the pigeonite structure was determined and a closure temperature of about 540 °C was estimated for crystals stemming from the core of our specimen. General trends of the crystal chemistry with KD are compared with literature data. From in-situ high temperature neutron powder data, however, it is deduced that a simple intra-phase-ordering process is not adequate, since diffusion processes between intimately intergrown augite and pigeonite phases at temperatures above 600 °C also take place. This makes the usual interpretation of structural data towards the prior history of the martian sample material doubtful.
Pharmacokinetics of Agelastatin A in the central nervous system

Agelastatin A (AA) is an anti-neoplastic agent with anti-osteopontin (OPN) activity. Brain tumors often express OPN significantly. A comprehensive chemoinformatic analysis followed by in vivo pharmacokinetic evaluations in mice is performed. CNS penetration of AA is about 10%. AA should be further tested for activity against brain tumors.
Dependence of positive corona streamer propagation on air pressure and water vapor content

Experiments are described in which the ambient electric field required for sustained positive corona streamer propagation is determined as a function of dry air pressure and water vapor partial pressure. This critical field varies approximately as the 1.5 power of the dry air pressure and shows a strong linear dependence on the water vapor partial pressure. These results differ substantially from what would be expected on the basis of Paschen’s Law, but are consistent with a propagation mechanism in which the ionizing streamer tip and a portion of the plasma trail left behind it are treated as an electrically isolated propagating conductor. Energy budget arguments indicate that the critical field is inversely proportional to the length of the trail that is effectively conducting and is dependent, therefore, on the lifetime of low‐energy electrons against attachment.
Study of the Potentially Mineralized Nitrogen Content and Nitrogen Supply by Soil Incubation Method in a Long-Term Field Experiment in East Hungary

The formation and fate of soluble nitrogen (N) forms and their response to organic-matter mineralization is not obvious yet, and results are often inconsistent despite intensive research. The available N supply of the soil is very important for plant nutrition and environmentally sound N fertilization. The determination of actual N supply is very important for sustainable agriculture in Hungary, especially in acidic sandy soils, which are very sensitive to environmental effects and inefficient human treatment. Therefore, the aim of this article is to provide further information about N mineralization processes and organic–mineral interactions of soil. To establish the potentially mineralized N content and available N supply of soil, a biological (incubation) method was carried out an acidic brown forest soil of the Nyírlugos long-term field experiment in Hungary. The incubation was carried out in the laboratory with differently treated soils of the long-term field experiment to investigate the effect of treatments on N mineralization processes of soil. The incubation period was 16 weeks long. The pH and the easily soluble mineralized and organic N fractions of soil were measured periodically from leached solution (0.01 M calcium chloride; CaCl2). The leaching process was repeated after 2, 3, 5, 7, 9, 12, and 16 weeks. The potentially mineralized N content of soil and the actual rate of N mineralization were calculated from periodically collected data. The results of the incubation method can be summarized as follows: the kinetics of incubation of 0.01 M CaCl2 soluble organic N is similar to mineral N; 0.01 M CaCl2–soluble N fractions were mainly in inorganic forms in the incubation period but the content of the organic form was significant too; and the mineralization rate is greater where the microbiological activity of the soil is expressed and the soil properties are more favored as a result of applied treatments.
Yield gap analysis of finger millet through front line demonstration

A study was conducted in 8 villages of Ganjam district during kharif season of 2017 and 2018 under the jurisdiction of KVK, Ganjam-II. The purpose was to analyse the yield gap of finger millet through front line demonstration. Results of demonstration have shown that under demonstration plots of finger millet yield was found to be substantially more than that under local check during both years. The average yield performance of finger millet through demonstration was 20q/ha, average yield of local check was 12.7q/ha and average increase of demonstration yield over local check yield was 57.2 per cent. The average technology gap for two finger millet varieties demonstrated found to be 3.5q/h a, extension gap was 7.3q/ha and technology index was 14.9 per cent. Regarding economics of front line demonstration, the average cost of cultivation for demonstration and local check was Rs 23497.5 and Rs 18920.5 respectively. The farmers have incurred average higher net return Rs 16502.5/ha under the demonstration. The B:C ratio was also higher i.e 1.7 in case of demonstration as compared to local check which was 1.34. The front line demonstrations on finger millet helped farmers to get higher yield and income there by increased standard of living.
Energy transfer-based biosensing of protease activity measured using an electroluminescent platform

We present a biosensing platform that uses spatial electroluminescent (EL) illumination combined with charge-coupled device (CCD)-based detection for fluorescence measurements. The resulting EL-CCD detector platform was used to monitor different protease activities with substrates labeled for fluorescence resonance energy transfer (FRET)-based assays. The first uses a commercial FITC/DABCYL-SNAP-25 peptide substrate to monitor the activity of the light chain derivative (LcA) of botulinum neurotoxin A, achieving a limit of detection (LOD) of 1.25 nM (62 ng/ml). The second protease activity assay measured trypsin proteolysis using peptide substrates immobilized onto semiconductor quantum dot (QD) nanoparticles with a LOD of 6.2 nM trypsin (140 ng/ml). The specific ovomucoid inhibition of trypsin activity was also monitored. The highlighted studies clearly demonstrate the utility of the EL-CCD detector platform for monitoring fluorescent-based protease activity assays with potential healthcare applications, including point-of-care diagnostics.
Understanding variability in winegrape production systems 2. Within vineyard variation in quality over several vintages

Spatial variability in various indices of wine grape quality was studied over several vintages in blocks planted to Cabernet Sauvignon and Ruby Cabernet in the Coonawarra (1999-2002) and Sunraysia (2000-2002) regions of Australia. At both sites, intra-annual variation was marked whilst intra-annual variation was much greater for some indices (e.g. concentration of total phenolics) than others (e.g. Baume). The magnitude of intra-annual variation was readily identified in terms of the 'spread', defined as the difference between the maximum and minimum values, expressed as a % of the median value. Typical values of the spread were 20% for Baume, but could be as high as 117% for phenolics, and better indicated the extent of variation facing the winemaker than the coefficient of variation (CV; typically 3% for Baume and l4% for phenolics). For all attributes, variation in any given year showed marked spatial structure, with the patterns of variation being broadly consistent for each attribute in each year of the study, and with many attributes following similar patterns. The results therefore strongly support the idea of zonal vineyard management. However, fruit quality zone identification is dependent on a large sampling effort. Therefore, given the current availability of yield monitors, the finding that between-zone differences in quality indices were generally significant (P < 0.05) for zones identified on the basis ob yield alone, and, in the absence ob an on-the-go sensing capability, it is suggested that zonal management should proceed on the basis of zones ob characteristic yield productivity. Based on the present work, it is suggested that development ob an on-the-go fruit quality sensing technology would enable the wine industry co maximise its opportunity to gain benefit from differential vineyard management such as selective harvesting. Indeed, the results ob this work suggest that in the absence ob zonal management, preferably supported by on-the-go quality sensing, winemaker demands for delivery of uniform parcels of fruit are unlikely to be satisfied.
Theoretical Study of Aqueous N-Acetyl-l-alanine N‘-Methylamide: Structures and Raman, VCD, and ROA Spectra

Starting from the eight B3LYP/6-31G* optimized N-acetyl-l-alanine N‘-methylamide (AAMA) structures recently reported by Jalkanen and Suhai,1 we studied the effect of hydration on the AAMA geometries, relative energies, and vibrational properties by applying the solvent continuum model, by adding four explicit water molecules to each of the conformers, and finally by combining the two approaches. For the four lowest energy AAMA+4H2O complexes, we have calculated the B3LYP/6-31G* Hessians and atomic polar tensors (APT), RHF/6-31G* atomic axial tensors (AAT), RHF/6-311+G** electric dipole−electric dipole polarizability derivatives (EDEDPD), RHF/6-31G* electric dipole−magnetic dipole polarizability derivatives (EDMDPD), and RHF/6-31G* electric dipole−electric quadrupole polarizability derivatives (EDEQPD), which gave us the required quantities to simulate the vibrational absorption (VA), Raman, vibrational circular dichroism (VCD), and Raman optical activity (ROA) spectra. The explicit water model reveals the.
Crystal structure of 1,3-di(benzyloxy)imidazolium bromide, [C17H17N2O2]Br

C17H17BrN2O2, orthorhombic, Pca21 (no. 29), a = 13.1672(3) Å, b = 14.5045(4) Å, c = 8.9452(2) Å, V = 1708.4 Å, Z = 4, Rgt(F) = 0.040, wRref(F) = 0.103, T = 173 K. Source of material The title compound was prepared from 1-hydroxyimidazole-3oxide, benzyl bromide and sodium hydrogencarbonate, as described in [1]. Notably, the reaction did not work with benzyl chloride [2]. The resulting clear syrup crystallized after three months at room temperature. The low melting temperature range of 60 70 °C qualifies this salt as an ‘ionic liquid’. Discussion As mentioned earlier [3], imidazolium salts with an N-O moiety are quite rare [1-6]. Different conformations of 1,3-di(alkyloxy)imidazolium cations have been reported [1,5]. Interestingly, in the present case of the bromide, the benzyl groups adopt an anti conformation. This is in contrast to the recently described hexafluorophosphate where they exhibit a syn conformation [1]. Thus, the O1—C4 bond is rotated out of the ring plane by 56.8°, the O2—C11 bond by 82.6° on opposite sides of the heterocyclic ring. A hydrogen bond is observed between the most acidic proton of the imidazolium cation and the bromide anion: C1–H···Br1 (H···acceptor distance 2.61 Å and donor···acceptor distance 3.485 Å, donor–H···acceptor angle 153°). The bromide accepts another hydrogen bond from C2–H (2.64 Å and 3.571 Å, 168°) and also three weak contacts from C11–H (2.88 Å and 3.834 Å, 162°), C8–H (2.99 Å and 3.892 Å, 160°), and C4–H (2.99 Å and 3.816 Å, 142°); symmetry codes i: x,y, –1+z; ii: 1–x,–y,–1/2+z; iii: 1–x,1–y,–1/2+z; iv: 3/2–x,y,–1/2+z. Z. Kristallogr. NCS 225 (2010) 759-760 / DOI 10.1524/ncrs.2010. 0334 759 © by Oldenbourg Wissenschaftsverlag, München Crystal: colourless plate-like fragment, size 0.02 × 0.09 × 0.14 mm Wavelength: Cu K+ radiation (1.5418 Å) . : 33.47 cm−1 Diffractometer, scan mode: Xcalibur, Ruby, Gemini ultra, % 2,max: 134.86° N(hkl)measured, N(hkl)unique: 18441, 3006 Criterion for Iobs, N(hkl)gt: Iobs > 2 )(Iobs), 2661 N(param)refined: 200 Programs: SIR2002 [7], SHELXL-97 [8] Table 1. Data collection and handling. H(2) 4a 0.6380 0.1332 1.0354 0.045 H(3) 4a 0.6706 −0.0182 0.9112 0.041 H(11A) 4a 0.5473 0.0080 0.4926 0.043 H(11B) 4a 0.5384 −0.0658 0.6260 0.043 H(15) 4a 0.6612 −0.3097 0.1725 0.068 H(14) 4a 0.6356 −0.1612 0.0820 0.066 H(13) 4a 0.6046 −0.0405 0.2483 0.052 H(17) 4a 0.6162 −0.2197 0.5938 0.055 H(1) 4a 0.6440 0.1736 0.5876 0.040 H(16) 4a 0.6540 −0.3390 0.4284 0.066 H(4A) 4a 0.7520 0.3209 0.8828 0.070 H(4B) 4a 0.6823 0.3006 1.0270 0.070 H(6) 4a 0.7291 0.4663 0.7464 0.090 H(10) 4a 0.5545 0.4083 1.1004 0.082 H(8) 4a 0.5366 0.6571 0.9162 0.124 H(7) 4a 0.6610 0.6182 0.7399 0.125 H(9) 4a 0.4904 0.5561 1.0981 0.107 Table 2. Atomic coordinates and displacement parameters (in Å). Atom Site x y z Uiso
Canonical variational theory for enzyme kinetics with the protein mean force and multidimensional quantum mechanical tunneling dynamics. Theory and application to liver alcohol dehydrogenase

We present a theoretical framework for the calculation of rate constants of enzyme-catalyzed reactions that combines variational optimization of the dynamical bottleneck for overbarrier reactive events and multidimensional quantum mechanical tunneling dynamics for through-barrier reactive events, both in the presence of the protein environment. The theory features a two-zone, three-stage procedure called ensemble-averaged variational transition state theory with multidimensional tunneling (EA-VTST/MT) with the transmission coefficient based on the equilibrium secondary-zone (ESZ) approximation for including the effects of the protein on a catalytic reaction center, called the primary zone. The dynamics is calculated by canonical variational theory with optimized multidimensional tunneling contributions, and the formalism allows for Boltzmann averaging over an ensemble of reactant and transition state conformations. In the first stage of the calculations, we assume that the generalized transition states ca.