Miracle-dz/UniFAR-FTUs huggingface dataset:
Acetato and formato copper(II) paddle-wheel complexes with nitrogen ligands

Compounds Cu(AcO)2(pydz) (1), Cu(HCOO)2(pymd)1/2 (2), Cu(AcO)2(pymd)1/2 (3), and Cu(AcO)2(4,4′-bipy)1/2 (4) were obtained by reactions of Cu(AcO)2⋅H2O and Cu(HCOO)2 ⋅ 4H2O with pyridazine, pyrimidine, or 4,4′-bipyridine. In all the studied structures, the paddle-wheel units [Cu2[µ-RCOO)4] are present. Coppers show a square pyramidal coordination determined by four oxygens in the equatorial positions and a nitrogen in the axial position. Compound 1 consists of centrosymmetric dimeric molecules. Compounds 2 and 3 instead consist of zig-zag chains of [Cu2[µ-RCOO)4] units linked by bridging pyrimidine molecules. The chains run in the (1 0 1) and (1 1 −2) directions in 2 and 3, respectively. By crystallization of a solution of 4 in chloroform, Cu(AcO)2(4,4′-bipy)1/2 ⋅ 1/2CHCl3 (5) was obtained. It consists of monodimensional chains of [Cu2(µ-CH3COO)4] units linked by bridging 4,4′-bipy molecules. The chains, of two different types, run parallel to the b-axis in the crystal. Two chlorines of each CHCl3 molecule are close to two oxygens of two parallel chains. The packing can be described as sheets parallel to the (1 0 −1) plane. Magnetic properties and electron paramagnetic resonance spectra have been studied.
Methane production from citrus wastes: process development and cost estimation

Abstract Lignocellulosic biomass can be utilized to produce ethanol, a promising alternative energy source for the limited crude oil. There are mainly two processes involved in the conversion: hydrolysis of cellulose in the lignocellulosic biomass to produce reducing sugars, and fermentation of the sugars to ethanol. The cost of ethanol production from lignocellulosic materials is relatively high based on current technologies, and the main challenges are the low yield and high cost of the hydrolysis process. Considerable research efforts have been made to improve the hydrolysis of lignocellulosic materials. Pretreatment of lignocellulosic materials to remove lignin and hemicellulose can significantly enhance the hydrolysis of cellulose. Optimization of the cellulase enzymes and the enzyme loading can also improve the hydrolysis. Simultaneous saccharification and fermentation effectively removes glucose, which is an inhibitor to cellulase activity, thus increasing the yield and rate of cellulose hydrolysis.
SnO2-isolated Pt3Sn alloy on reduced graphene oxide: an efficient catalyst for selective hydrogenation of CO in unsaturated aldehydes

In this communication, a pyramid shaped alloy-metal oxide–graphene hybrid was synthesized by a facile procedure, in which SnO2 nanoparticles (NPs) (4.8–5.8 nm) were first coated onto the surface of reduced graphene oxide (rGO), and then very fine Pt3Sn NPs (0.6–1.2 nm) were fabricated on the SnO2 NPs on rGO sheets under microwave irradiation in a few minutes. Characterizations disclosed that the SnO2 NPs on rGO were more favorable for the dispersion of Pt, and Pt3Sn formed mainly on the surface of SnO2 NPs. This pyramid shaped Pt3Sn/SnO2/rGO hybrid was highly active, selective and stable for the hydrogenation of the CO bond in unsaturated aldehydes to unsaturated alcohols under mild conditions.
RESOLUTION OF DIFFERENCES IN CONCENTRATION OF NATURALLY OCCURRING TRITIUM IN GROUNDWATER TRACER STUDIES

The objective of this article is to describe the technique for improving the detection level of tritium in water by employing tritium enrichment. The utility of the method will be demonstrated with real data from a variety of ground and surface water sources. Data are presented that emphasize the insensitivity of the analysis to the source of water and its chemical constituents, the reproducibility of the analysis, and the sensitivity of the analysis to small differences in tritium concentration. In summary, the utility and current limits of application of naturally occurring tritium as a ground water tracer will be discussed.
Fabrication and Characterization of Iron (II, III) on Positively Charged Gold Nanoparticles with Application for Magnetically Recoverable Catalysis

An aqueous dispersion was prepared by attaching positively charged gold nanoparticles to the surface of poly-sodium-p-styrenesulfonate-modified Fe3O4 nanoparticles. The Fe3O4@positively charged gold nanoparticles offer high monodispersion, stability against aggregation, and high magnetization with uniform size. The Fe3O4@positively charged gold nanoparticles were efficient and recyclable catalysts due to the formation of a positively charged gold layer on the surface of Fe3O4 nanoparticles and were stable in aqueous solution for over forty-eight hours and hence may have a broad range of applications.
Doping effect of organic sulphonic acids on the solid‐state synthesized polyaniline

Polyaniline (PANI) salts doped with organic sulfonic acids (methanesulfonicacid, p-toluenesulphonic acid, and dodecylbenzenesulphonic acid) were first synthesized by using solid-state polymerization method. The polymers were characterized by Fourier transform infrared (FTIR) spectra, ultraviolet-visible spectrometry, X-ray diffraction, cyclic voltammetry, scanning electron microscopy, transmission electron microscopy, and conductivity measurements. It was found that PANI doped with p-toluenesulphonic acid is formed in conductive emeraldine oxidation state, and displayed higher doping level and cyrstallinity. On the contrary, PANI doped with dodecylbenzenesulphonic acid was lower at doping level and highly amorphous. In accordance with these results, the conductivity and electrochemical acitivity was also found to be higher in p-toluenesulphonic acid-doped PANI, and these properties were opposite in the case of dodecylbenzenesulphonic acid. The results also revealed that the morphology of dodecylbenzenesulphonic acid-doped PANI was remarkably different from other PANI salts. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2007
Assessment of the Inherent in-vitro Antioxidant Potential of Commelina benghalensis Leaf Extract

Commelina benghalensis is a troublesome but exotic weed native to the African and Asian subregions used traditionally for the treatment and management of various disorders. The aim of this study was to investigate the potential antioxidant activity of the methanolic leaf extract of Commelina benghalensis using various in vitro models. This was done by investigating the ability of the extract to scavenge hydrogen peroxide and hydroxyl radical. Other activities assessed were the reducing ability, ability to inhibit erythrocyte damage and reduce ferrous-ascorbate induced lipid peroxidation on bovine liver and egg yolk homogenates. The results revealed that the plant extract possessed significant hydrogen peroxide and hydroxyl radical scavenging abilities. The extract also possessed significant ability to reduce ferric ions and molybdate VI. The methanolic extract also significantly inhibited hydrogen peroxide-induced erythrocyte hemolysis and lipid peroxidation. Lipid peroxidation in bovine liver and egg yolk homogenates induced by the ferrous-ascorbate system was also reduced by the extract. In many instances, the effect of the extract was concentration-dependent. (p < 0.05). This antioxidant activity of the extract is ascribed to the phytochemicals which probably acted in Original Research Article Okoko; AJBGMB, 6(4): 25-32, 2020; Article no.AJBGMB. 63967 26 synergy thus the Commelina benghalensis leaves could be exploited both nutraceutically and pharmacologically.
Mineralization studies on paraquat and malathion using TiO2/ZnO based photocatalyst

Paraquat, a herbicide and malathion, an insecticide are pesticides that are always polluting our water system. Thus a lot of efforts has been conducted to treat the polluted water. The latest technology proposed is using photocatalyst. In this study, ZnO and TiO2 were used as photocatalysts to degrade the pesticide in the presence of UV light (λ=354 nm). The photodegradation rate was measured using UV-Visible spectrophotometer and TOC analyzer. Malathion showed the absorption peak at λ=210 nm while for paraquat at λ=258 nm. The best coupled photocatalyst for degrading malathion solution is ZnO/TiO2 with % weight ratio 1:0.05 and the best coupled photocatalyst in degrading paraquat solution is TiO2/ZnO with % weight ratio 1:0.03. The result shows that Fe 2+ ion present in the reaction mixture was better than Fe 3+ ion present as a dopant (which is added during the catalyst preparation). The optimum photocatalyst calcinations temperature for degrading paraquat and malathion were 550°C for TiO2 and 500°C for ZnO. The physical properties of the best catalyst were characterized using SEM, XRD, UV-Vis-NIR spectrophotometer and elipsometer. By increasing the calcinations temperature up to 600°C, XRD data showed the transformation of TiO2 anatase to rutile phase while for ZnO, the increment of the intensity of ZnO catalyst was observed, indicating that, the quality of ZnO wurtzite crystal was improved. The thicknesses for ZnO, ZnO/TiO2 1:0.05 and ZnO/TiO2 doping with Fe 3+ thin film were 130.57 nm, 150.68 nm and 153.84 nm respectively. The band gap energy values measured using UV-Vis NIR were in the range of 2.95 – 3.09 eV. Abstrak
Preparation of N,N-Bis[2-[N',N'-Bis[(Tert-Butoxycarbonyl)Methyl]-Amino]Ethyl-L-Aspartic Acid: An Intermediate in the Synthesis of MRI Contrast Agents

Abstract A preparation of DTPA carboxylic acid 1, a suitable intermediate in the synthesis of MRI contrast agents 2, is described starting from α-tert-butyl-β-benzyl-L-aspartate hydrochloride. In addition, an alternative procedure for the synthesis of bromide 3b is presented.
The Use of a Flexible Calix[4]arene Template to Stabilize a Cyclooctatetraindiyl Samarium-Potassium Complex

A sandwich compound of cyclooctatetraendiyl (COT)2− samarium-potassium was synthesized and analyzed using a flexible calix[4]arene dianion. This compound, [p-tBu-calix[4]-(OMe)2(O)2]arenediyl-samarium-(η8-cyclooctatetraendiyl)-potassium (tetrahydrofurane)3, is constructed as a linear sequence L-Sm--K-, where L, , and are specific ligands with L = O,O-dimethyl-calix[4]arene2−, = cyclo-octatetraendiyl, and = tetrahydrofurane templates.
Structure, Stability, and Biodistribution of Cationic [M(CO)3]+ (M = Re, 99Tc, 99mTc) Complexes with Tridentate Amine Ligands

Bifunctional chelating molecules linking the fac‐[99mTc(CO)3]+ core with targeting biomolecules are required for the development of specific diagnostic radiopharmaceuticals. Diethylenetriamine (1) and N‐(pyridin‐2‐ylmethyl)ethane‐1,2‐diamine (2) both react readily with [99mTc(H2O)3(CO)3]+ in 0.9% saline at micromolar concentrations to form the cationic complexes [99mTc(1)(CO)3]+ (5) and [99mTc(2)(CO)3]+ (6) in quantitative yields. The crystal structures of the corresponding Re or 99Tc complexes were determined and exhibit in particular the small size of 5. Challenging both 99mTc complexes 5 and 6 with a 104 excess of histidine or cysteine showed no decomposition or ligand exchange after 24 hours and both compounds were also stable against reoxidation to [99mTcO4]−. In normal mice, complex 5 revealed a good and fast clearance from the blood, and most organs. Only limited accumulation in the large intestine was visible after 4 hours. Complex 6 was also excreted relatively quickly from the blood but retention was observed in some tissues after 4 h. In order to illustrate the potential of both ligands to be further functionalized, two derivatives containing potentially DNA binding functionalities, N‐(2‐Amino‐ethyl)‐N′‐pyren‐1‐ylmethyl‐ethane‐1,2‐diamine (3) and N‐(quinolin‐2‐ylmethyl)ethane‐1,2‐diamine (4) were synthesized. The respective Re or 99Tc complexes were fully characterized. Based on these results, it appears that functionalization of biomolecules with acyclic triamine ligands is biologically relevant. Complex 5 in particular could be used to mimic a terminal amino group in, e.g., a peptide due to its small size and positive charge. We thank Mallinckrodt Med. BV, Petten, NL for financial support.
Intermetallic growth and Kirkendall effect manifestations in Cu/Sn and Au/Sn diffusion couples

Abstract The Kirkendall-effect induced migration of inert markers during a diffusion-controlled growth of intermetallic compounds in the Cu/Sn and Au/Sn couples at 215 and 180°C were studied. It was shown that the behaviour of markers in the multiphase reaction zones can be rationalized in terms of the Kirkendall velocity construction. Observations on the microstructural features of the product intermetallic layers and the role of the Kirkendall effect in the morphogenesis of the interdiffusion systems are discussed. It was demonstrated that the velocity of markers in a product layer, the appearance of the Kirkendall plane(s), their location(s) and the morphological evolution of the reaction products can also be explained from a purely chemical point of view considering the diffusion-controlled interactions at the interphase interfaces. A representation of the reaction scheme and kinetics of intermetallic growth in each of the two systems is given.
Three-Dimensional and Multidimensional Microscopy: Image Acquisition and Processing XVI

Confocal microscopes achieve high spatial resolution by focusing both a light source and a detector to a single point with an objective having a high numerical aperture. In order to produce an image, it is then necessary to scan this common focal spot through the specimen, and it is often important to image the full field of view in a short time. In order to avoid vignetting, the scanning must be done in or near the pupil of the optical system. For some fast scanners, this requires the use of multiple relay telescopes to create multiple pupils. Galvanometric scanners impose a practical limit on the scan speed because of the angular accelerations involved in reversing direction. Rotating polygons are often used to achieve greater speed. For a scanner consisting of a rotating polygon and a galvanometric scanner, two relay telescopes are normally used. We have developed a dual-wedge scanner which has the potential to perform the scan in a configuration which is very short in the axial direction, thereby eliminating much of the complexity of current high-speed scanners. We have demonstrated a prototype of the scanner in a reflectance confocal microscope. Transverse and axial resolution are comparable to those of other scanning systems. The selection of rotation speeds for the wedges is important to ensuring full coverage of the field of view in a reasonable time. Various tradeoffs on these parameters will be discussed. The beam behavior in the pupil will be discussed. Resolution limits and aberrations will be shown from ray-tracing analysis, and compared to experimental results.
Mehlich 3 soil test extractant: A modification of Mehlich 2 extractant

Abstract The objectives of this study were to modify the Mehlich 2 (M2) extractant to include Cu among the extractable nutrients, retain or enhance the wide range of soils for which it is suitable and minimize it's corrosive properties. The substitution of nitrate for chloride anions and the addition of EDTA accomplished those objectives. The new extracting solution, already designated Mehlich 3 (M3) is composed of 0.2N CH3COOH‐0.25N NH4N03‐0.015NNH4F‐0.013NHN03‐0.001M EDTA. Extractions from 105 soils using M3, M2, Bray 1 (Bl) and Ammonium Acetate (AA) were compared to evaluate the new extractant. The quantity of F extracted by M3 exceeded that by M2 20% and that by Bl 4% but the results from all extractions were highly correlated. Extractions of both K and Mg by M3 were 6–8% higher than those by AA and 3–4% higher than those by M2, but, again, there was high correlation among methods. Addition of EDTA increased Cu extractions by 170%, Mn by 50% and Zn by 25%. Cu extractions by M3 correlated with those fr.
Back‐contacted back‐junction n‐type silicon solar cells featuring an insulating thin film for decoupling charge carrier collection and metallization geometry

In this study, back‐contacted back‐junction n‐type silicon solar cells featuring a large emitter coverage (point‐like base contacts), a small emitter coverage (point‐like base and emitter contacts), and interdigitated metal fingers have been fabricated and analyzed. For both solar cell designs, a significant reduction of electrical shading losses caused by an increased recombination in the non‐collecting base area on the rear side was obtained. Because the solar cell designs are characterized by an overlap of the B‐doped emitter and the P‐doped base with metal fingers of the other polarity, insulating thin films with excellent electrical insulation properties are required to prevent shunting in these overlapping regions. Thus, with insulating thin films, the geometry of the minority charge carrier collecting emitter diffusion and the geometry of the interdigitated metal fingers can be decoupled. In this regard, plasma‐enhanced chemical vapor deposited SiO2 insulating thin films with various thicknesses and deposited at different temperatures have been investigated in more detail by metal‐insulator‐semiconductor structures. Furthermore, the influence of different metal layers on the insulation properties of the films has been analyzed. It has been found that by applying a SiO2 insulating thin film with a thickness of more than 1000 nm and deposited at 350 °C to solar cells fabricated on 1 Ω cm and 10 Ω cm n‐type float‐zone grown silicon substrates, electrical shading losses could be reduced considerably, resulting in excellent short‐circuit current densities of more than 41 mA/cm2 and conversion efficiencies of up to 23.0%. Copyright © 2012 John Wiley & Sons, Ltd.
Recovery and Purification of (Bio)Pharmaceuticals Using (Nano)Materials

: Biopharmaceuticals main classes comprise recombinant proteins, antibodies, and nucleic-acid-derived products, while synthetic pharmaceuticals include a wide variety of organic compounds. The purification of (bio)pharmaceuticals, as part of downstream processing, is mainly carried out by chromatographic processes, which are responsible for the therapeutics high cost. Therefore, there is a crucial need on the development of novel and more efficient separation/purification processes or on the improvement of the current chromatographic-based ones, aiming at producing pharmaceuticals of high quality and at a lower cost. Amongst alternative techniques, it has been demonstrated that inorganic or organic (nano)particles, used in solid-phase extraction approaches, may be promising for the purification of pharmaceuticals. This chapter provides an overview on solid-liquid separation/purification processes used to obtain high purity and high quality pharmaceuticals. The main purification processes are described and summarized. The areas where there has been a sustainable progress, combined with improved therapeutic characteristics, are highlighted. Materials based on silica (nano)particles, carbon-based (nano)particles (carbon nanotubes, graphene and activated carbon) and magnetic (nano)particles are overviewed. Based on the reported results, nanotechnology may play a key role in future pharmaceutical developments and manufacturing, where the design of suitable functionalized (nano)particles is a crucial factor to enhance the selectivity and to obtain high purification and recovery yields of (bio)pharmaceuticals.
Synthesis of 4,4’-(Arylmethylene)bis(1H-pyrazol-5-ols) Using Silica-bonded Ionic Liquid as Recyclable Catalyst

N -(3-Silicapropyl)- N -methyl imidazolium hydrogen sulfate ([Sipmim]HSO 4 ) is prepared and employed as a recyclable catalyst for the synthesis of 4,4’-(arylmethylene)bis(1 H -pyrazol-5-ols) from aromatic aldehydes with 3-methyl-l-phenyl-5-pyrazolone in refluxing ethanol. [Sipmim]HSO 4 could be recycled for several times without any additional treatment.
Removal of Copper(II) from Chloride Solutions using Hydrophobic Pyridyl Ketone Oximes

Abstract: The model oximes of 1‐(2‐pyridyl)undecane‐1‐one (2PC10), 1‐(2‐pyridyl)tridecane‐1‐one (2PC12) and 1‐(4‐pyridyl)tridecane‐1‐one (4PC12) were synthesized and used for copper(II) extraction from chloride solutions. The behavior of these ligands towards copper(II) extraction was investigated for different experimental conditions with a particular emphasis on the influence of the concentrations of copper ions, chloride ions, and ligand. The obtained results indicated the ability of pyridylketoximes to extract copper(II) from chloride solutions. 2‐Pyridyl ketone oximes are stronger extractants of copper than 4‐pyridyl ketone oximes. Copper can be effectively stripped by water or diluted sulfuric acid.
Manmade Vulnerability of the Cancun Beach System: The Case of Hurricane Wilma

Climate change and resultant coastal erosion and flooding have been the focus of many recent analyses. Often these studies overlook the effects of manmade modifications to the coastline which have reduced its resilience to storm events. In this investigation, we integrate previous reports, historical photo analysis, field work, and the application of numerical models to better understand the effects of Wilma, the most destructive hurricane to affect Cancun, Mexico. Huge waves (of significant height, >12 m), long mean wave periods (>12 s), devastating winds (>250 km/h), and powerful currents (>2 m/s) removed >7 million cubic meters of sand from the Cancun beach system, leaving 68% of the sub-aerial beach as bedrock, and the rest considerably eroded. Numerical simulations show that the modifications to the barrier island imposed by tourist infrastructure have considerably increased the rigidity of the system, increasing the potential erosion of the beach under extreme conditions. If there were no structural barriers, a series of breaches could occur along the beach, allowing exchange of water and alleviating storm surge on other sections of the beach. If the effects caused by anthropogenic changes to Cancun are ignored, the analysis is inaccurate and misleading.
Preserving Domiati cheese using metabolites of Propionibacterium thoenii P-127

In many developed and developing countries, sedulous trails are running for achieving high quality dairy products without using chemical preservatives. Microbial metabolites, such as that produced by Propionibacteria are coming in need to achieve such an aim. Therefore, utilization of permeate supplemented with different nutrients to improve production of metabolites under controlled conditions in a fermentor was studied. Metabolites of Propionibacterium thoenii P-127 proved to have an antimicrobial activity against the tested microorganisms. Permeate supplemented with casein hydrolysate supported maximum production of antimicrobial substances by P. thoenii. Antifungal activity of lyophilized metabolites stored at 25°C showed a drop of activity (approximately 25%) compared to metabolites stored at 4°C. The addition of lyophilized P. thoenii P-127 metabolites by 1.5% to Domiati cheese milk obviously prolonged the shelf-life of soft cheese. The investigators proposed the name “Propiogard” for the product, to differentiate it from commercial name “Microgard”.
Model intermolecular potentials and virial coefficients determined from the speed of sound

A simple procedure is given for determining model two- and three-body intermolecular potential energy functions from precise measurements of the speed of sound in the gas phase. The method is applied to the pure gases argon, methane and nitrogen and results are considered for propane and the mixture (methane + propane) obtained recently by similar methods. For the pair potential, the four-parameter model proposed by Maitland and Smith is used while the consequences of three-body forces were generally assumed to be represented adequately by the triple-dipole dispersion potential of Axilrod and Teller. The effect of including additional dispersion and exchange terms in the three-body potential was investigated for argon; each of these terms is significant but their effect on the third virial coefficient may be absorbed accurately in an effective triple-dipole potential. Three or, in some cases, all four of the parameters in the pair potential were optimized, together with the triple-dipole dispersion coeffi.