Chemical Profiles and Pharmacological Properties with in Silico Studies on Elatostema papillosum Wedd

The current study attempted, for the first time, to qualitatively and quantitatively determine the phytochemical components of Elatostema papillosum methanol extract and their biological activities. The present study represents an effort to correlate our previously reported biological activities with a computational study, including molecular docking, and ADME/T (absorption, distribution, metabolism, and excretion/toxicity) analyses, to identify the phytochemicals that are potentially responsible for the antioxidant, antidepressant, anxiolytic, analgesic, and anti-inflammatory activities of this plant. In the gas chromatography-mass spectroscopy analysis, a total of 24 compounds were identified, seven of which were documented as being bioactive based on their binding affinities. These seven were subjected to molecular docking studies that were correlated with the pharmacological outcomes. Additionally, the ADME/T properties of these compounds were evaluated to determine their drug-like properties and toxicity levels. The seven selected, isolated compounds displayed favorable binding affinities to potassium channels, human serotonin receptor, cyclooxygenase-1 (COX-1), COX-2, nuclear factor (NF)-κB, and human peroxiredoxin 5 receptor proteins. Phytol acetate, and terpene compounds identified in E. papillosum displayed strong predictive binding affinities towards the human serotonin receptor. Furthermore, 3-trifluoroacetoxypentadecane showed a significant binding affinity for the KcsA potassium channel. Eicosanal showed the highest predicted binding affinity towards the human peroxiredoxin 5 receptor. All of these findings support the observed in vivo antidepressant and anxiolytic effects and the in vitro antioxidant effects observed for this extract. The identified compounds from E. papillosum showed the lowest binding affinities towards COX-1, COX-2, and NF-κB receptors, which indicated the inconsequential impacts of this extract against the activities of these three proteins. Overall, E. papillosum appears to be bioactive and could represent a potential source for the development of alternative medicines; however, further analytical experiments remain necessary.     

Purification of DNA-derived deoxynucleotides from leukocytes involving nuclease elution of an ion-exchange column

A method has been developed in which the DNA of leukocytes (as the buffy coat from blood) is isolated in the form of its constituent deoxynucleotides. The steps in this method are as follows: (1) lyse the leukocytes with sodium dodecyl sulfate (SDS) and enzymatically digest the proteins and RNA, (2) remove the SDS on a non-polar adsorbent (Bio-Beads SM-4) and then trap the DNA on a quaternary amine silica cartridge, (3) wash the column with 1 M NaCl-buffer, (4) digest the DNA on the column with staphylococcal nuclease and (5) elute the digested DNA with 0.5 M NaCl-buffer and digest it further with bovine spleen phosphodiesterase II to deoxynucleotide-3′-monophosphates. From a 40-μl sample of butty coat was obtained 126 ± 14 μg (two experiments, eight sample total) of deoxynucleotides. Reversed-phase high-performance liquid chromatography, which removed the added enzymes, showed only peaks for deoxynucleotides. For comparison, the amount of deoxynucleotides obtained from the leukocytes by an automated phenol extraction procedure was 101 ± 5.4 μg (one experiment in triplicate).     

Synthesis and characterization of MFe2O4 sulfur nanoadsorbents

Nanoparticles of ferrites (Fe₃O₄, NiFe₂O₄, CuFe₂O₄, and MnFe₂O₄) were prepared by a reverse (water/oil) microemulsion method. The microemulsion system consisted of cetyltrimethylammonium bromide, 1-butanol, cyclohexane, and a metal salt solution. The procedure was carried out using aqueous ammonia as the coprecipitating agent. Nanosized particles were characterized by thermal analysis, X-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy, and pyridine adsorption. The NiFe₂O₄ sample exhibited narrow mesoporous pore size distribution and high surface area ≈233 m²/g. It achieved good adsorption activity towards the dibenzothiophene (DBT) compound (166.3 μmol/g of DBT adsorbent). The structural properties obtained were very interesting for potential applications in the desulfurization process in petroleum refining.     

An updated review of nanofluids in various heat transfer devices

Journal of Thermal Analysis and Calorimetry - The field of nanofluids has received interesting attention since the concept of dispersing nanoscaled particles into a fluid was first introduced in...     

A unique and novel cyclopropylmethyl cation intermediate: a DFT study

Some physical organic aspects of the intermediates that result from the interaction between phenylmethylenecyclopropane (substituted derivatives are important in synthesizing cyclobutenes) and platinum and palladium halides have been studied using B3LYP. Geometrical aspects, values of atom polarizable tensor charges (APT), effect of substituents, selected transition states activation barriers, and molecular orbital calculations are presented. These calculations suggest a novel organometallic cyclopropylmethyl cation, which is characterized by the presence of a highly polarized and unusually long sigma bond between the benzylic carbon and coordinating halogen atom.     

N,N'-Carbonyldiimidazole-mediated functionalization of superparamagnetic nanoparticles as vaccine carrier

Particulates with specific sizes and characteristics can induce potent immune responses by promoting antigen uptake of appropriate immuno-stimulatory cell types. Magnetite (Fe(3)O(4)) nanoparticles have shown many potential bioapplications due to their biocompatibility and special characteristics. Here, superparamagnetic Fe(3)O(4) nanoparticles (SPIONs) with high magnetization value (70emug(-1)) were stabilized with trisodium citrate and successfully conjugated with a model antigen (ovalbumin, OVA) via N,N'-carbonyldiimidazole (CDI) mediated reaction, to achieve a maximum conjugation capacity at approximately 13 microgmicrom(-2). It was shown that different mechanisms governed the interactions between the OVA molecules and magnetite nanoparticles at different pH conditions. We evaluated as-synthesized SPION against commercially available magnetite nanoparticles. The cytotoxicity of these nanoparticles was investigated using mammalian cells. The reported CDI-mediated reaction can be considered as a potential approach in conjugating biomolecules onto magnetite or other biodegradable nanoparticles for vaccine delivery.     

Catalytic synthesis of vinylphosphanes via calcium-mediated intermolecular hydrophosphanylation of alkynes and butadiynes

The calcium complex [(thf)₄Ca(PPh₂)₂] (1) is a very effective catalyst for the hydrophosphanylation of substituted alkynes of the type R-CC-R (R = Me, Ph) yielding (E)-1,2-diphenyl-1-diphenylphosphanylethene (2a) and (Z)-1-phenyl-2-diphenylphosphanyl-1-propene (2b). The calcium-mediated hydrophosphanylation of butadiynes of the type R-CC-CC-R (R = Me, SiMe₃, Ph, Mes, tBu) proceeds less selectively and diverse products are obtained such as 1,4-substituted 1,4-bis(diphenylphosphanyl)-1,3-butadienes (3), 1,4-diphenyl-1,2-bis(diphenylphosphanyl)-1,3-butadiene (4), and 1,4-di(tert-butyl)-1,4-bis(diphenylphosphanyl)buta-1,2-diene (5). Besides these regioisomers also several configuration isomers with respect to the C=C double bonds [(E)/(Z) isomerism] are obtained. A catalytic cycle can be formulated with the first addition of a Ca-P bond of the catalyst 1 to a CC triple bond always leading to the formation of an intermediate with the newly formed C-P bond in 1-position whereas the remaining phosphanido calcium fragment binds to the carbon in 2-position. The addition of a second diphenylphosphane is much faster and therefore, only two-fold hydrophosphanylated butadiynes are observed. Neither addition products with only one HPPh₂ group nor those with more than two PPh₂ substituents are obtained.     

Sulphur and oxygen isotopic characters of dissolved sulphate in groundwater from the Pleistocene aquifer in the southern Jordan Valley (Jericho area,Palestine)

Sulphate and chloride concentrations in the shallow Pleistocene aquifer systems in the lower Jordan valley area indicate a general trend of increasing salinity eastward and southward. This study was conducted in one of the important sub-basins feeding the Pleo–Pleistocene aquifer in the Jericho area in the southern part of the valley using S and O isotopes of dissolved sulphate. The results show that sulphate has mainly two contributions to the groundwater. One is the surface seepage, which is present as a salty leachate form with the positive δ³⁴S_sulphate values of primary gypsum in Lisan and Samara formations, and the second is the upwelling saline water which was in contact with a deep secondary gypsum, aragonites and salty rocks and rose up under heavy abstraction with depleted ³⁴S in sulphate and relatively high sulphate and chloride content. The latest was clearly shown in the Arab Project wells to the east that is undergoing a continuous heavy abstraction. The isotopic signatures of S and O in these wells to the east show that this depleted ³⁴S and highly concentrated sulphate might also indicate a dissolved sulphate originating from pyrite oxidation that results from the interaction with a pyrite-rich aquifer, which can well up with salty water under heavy abstraction and is oxidised in the upper aerobic shallow aquifer.