Comparative studies for selective deprotection of the N-arylideneamino moiety from heterocyclic amides: kinetic and theoretical studies. Part 2

4-Benzylideneamino-1,2,4-triazine-3,5(2H,4H)-diones (2-5), 6-styryl-1,2,4-triazine-3,5(2H,4H)-dione (6), and 6-styryl-2,3-dihydro-3-thioxo-1,2,4-triazin-5(4H)-one (7) were synthesized and pyrolyzed in the gas phase. The kinetic effect of changing the substituent on the triazine ring from hydrogen to methyl, phenyl, and styryl was measured. Analyses of the pyrolyzates of 2-5 showed the elimination products to be benzonitrile and the triazine fragment, while the pyrolyzates of 6 and 7 reveal the formation of cis- and trans-cinnamonitriles. Theoretical study of the pyrolysis reactions of 2-5 using an ab initio SCF method was investigated.     

Platinum oxide catalyzed silylation of aryl halides with triethylsilane: an efficient synthetic route to functionalized aryltriethylsilanes

[STRUCTURE: SEE TEXT] The first platinum-catalyzed selective silylation of aryl halides including aryl iodides and bromides having an electron-withdrawing group is described. The reaction takes place rapidly in NMP with triethylsilane as a silicon source and sodium acetate to provide functionalized aryltriethylsilanes in moderate to good yields. Heteroaromatic halides also were found to be readily silylated with triethylsilane. The procedure is chemoselective and tolerates a wide variety of functional groups.     

Spectroscopic study of molecular structures of novel Schiff base derived from o-phthaldehyde and 2-aminophenol and its coordination compounds together with their biological activity

New Schiff base (H₂L) ligand is prepared via condensation of o-phthaldehyde and 2-aminophenol. The metal complexes of Cr(III), Mn(II), Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with the ligand are prepared in good yield from the reaction of the ligand with the corresponding metal salts. They are characterized based on elemental analyses, IR, solid reflectance, magnetic moment, electron spin resonance (ESR), molar conductance, ¹H NMR and thermal analysis (TGA). From the elemental analyses data, the complexes are proposed to have the general formulae [M(L)(H₂O)n]·yH₂O (where M = Mn(II) (n = 0, y = 1), Fe(II) (n = y = 0), Co(II) (n = 2, y = 0), Ni(II) (n = y = 2), Cu(II) (n = 0, y = 2) and Zn(II) (n = y = 0), and [MCl(L)(H₂O)]·yH₂O (where M = Cr(III) and Fe(III), y = 1–2). The molar conductance data reveal that all the metal chelates are non-electrolytes. IR spectra show that H₂L is coordinated to the metal ions in a bi-negatively tetradentate manner with ONNO donor sites of the azomethine N and deprotonated phenolic-OH. This is supported by the ¹H NMR and ESR data. From the magnetic and solid reflectance spectra, it is found that the geometrical structures of these complexes are octahedral (Cr(III), Fe(III), Co(II) and Ni(II) complexes), tetrahedral (Mn(II), Fe(II) and Zn(II) complexes) and square planar (Cu(II) complex). The thermal behaviour of these chelates is studied and the activation thermodynamic parameters, such as, E*, ΔH*, ΔS* and ΔG* are calculated from the DrTGA curves using Coats-Redfern method. The parent Schiff base and its eight metal complexes are assayed against two fungal and two bacterial species. With respect to antifungal activity, the parent Schiff base and four metal complexes inhibited the growth of the tested fungi at different rates. Ni(II) complex is the most inhibitory metal complex, followed by Cr(III) complex, parent Schiff base then Co(II) complex. With regard to bacteria, only two of the tested metal complexes (Mn(II) and Fe(II)) weakly inhibit the growth of the two tested bacteria.     

Metal complexes of gliclazide: Preparation,spectroscopic and thermal characterization. Biological potential study of sulphonylurea gliclazide on the house fly,Musca domestica (Diptera – Muscidae)

Metal complexes of gliclazide (GLZ; HL) drug are prepared and characterized based on elemental analyses, IR, diffused reflectance, magnetic moment, molar conductance and thermal analyses (TG and DTG) technique. From the elemental analyses data, the complexes are proposed to have the general formulae [M(HL)Cl₃(H₂O)]·3H₂O (M = Cr(III) and Fe(III)), [M(HL)Cl₂(H₂O)₂]·yH₂O (M = Co(III), Ni(II) and Cu(II), y = 0–2) and [M(HL)Cl₂]·yH₂O (M = Mn(II) and Zn(II), y = 0–1). The molar conductance data reveal that all the metal chelates are non-electrolytes. IR spectra show that GLZ is coordinated to the metal ions in a neutral bidentate manner with ON donor sites of the amide-O and sulphonamide-OH. From the magnetic and solid reflectance spectra, it is found that the geometrical structures of these complexes are octahedral (Cr(III), Fe(III), Co(II), Ni(II) and Cu(II)) and tetrahedral (Mn(II) and Zn(II)). The thermal behaviour of these chelates is studied using thermogravimetric analysis (TG and DTG) techniques. The results obtained show that the hydrated complexes lose water molecules of hydration followed immediately by decomposition of the anions and ligand molecules in the successive unseparate steps. The activation thermodynamic parameters are calculated using Coats–Redfern method. The GLZ drug, in comparison to its metal complexes also is screened for their biological activity against house fly, Musca domestica (Diptera – Muscidae). Dose of 5 μg/insect of gliclazide is typically applied against 3 days-old larval instar of M. domestica. Survival of pupal and adult stages has been affected by the complexes of gliclazide more than larval instars. Morphogenic abnormalities of larvae, pupae and adults are studied. On the other hand, pupation and adult emergence program is deteriorated by the effect of different chemicals.     

Optimization approaches of aircraft flight path reducing noise: Comparison of modeling methods

An optimization model of flight paths is designed for minimizing aircraft noise at reception points around airports. It is stated as a nonconvex and nonlinear control problem governed by ordinary differential equations using a jet noise model. The vertical plan and the space cases have been solved using two approaches, one direct and one indirect. The objective was initially to apply these two methods, then to carry out comparisons, and finally to retain the method which would be applied for the general case including engine and airframe sources. Results showed that the direct method is adapted for solving the problem and can be implemented with moderate computing times. It is sufficient to analyze the constrained flight path optimization of commercial aircraft reducing noise levels. The three-segment approach procedure has been obtained as an optimized flight path which can substantially reduce noise levels. This modified approach procedure has been examined and could benefit both airlines and communities.     

Search for Down-Type Fourth Generation Quarks with the ATLAS Detector in Events with One Lepton and Hadronically Decaying W Bosons

This Letter presents a search for pair production of heavy down-type quarks decaying via b^{'}→Wt in the lepton+jets channel, as b^{'}b[over ˉ]^{'}→W^{-}tW^{+}t[over ˉ]→bb[over ˉ]W^{+}W^{-}W^{+}W^{-}→l^{±}νbb[over ˉ]qq[over ˉ]qq[over ˉ]qq[over ˉ]. In addition to requiring exactly one lepton, large missing transverse momentum, and at least six jets, the invariant mass of nearby jet pairs is used to identify high transverse momentum W bosons. In data corresponding to an integrated luminosity of 1.04 fb^{-1} from pp collisions at sqrt[s]=7 TeV recorded with the ATLAS detector, a heavy down-type quark with mass less than 480?GeV can be excluded at the 95% confidence level.     

Signing and Verifying Encrypted Medical Images Using Double Random Phase Encryption

Digital Signature using Self-Image signing is introduced in this paper. This technique is used to verify the integrity and originality of images transmitted over insecure channels. In order to protect the user’s medical images from changing or modifying, the images must be signed. The proposed approach uses the Discrete Wavelet Transform to subdivide a picture into four bands and the Discrete Cosine Transform DCT is used to embed a mark from each sub-band to another sub-band of DWT according to a determined algorithm. To increase the security, the marked image is then encrypted using Double Random Phase Encryption before transmission over the communication channel. By verifying the presence of the mark, the authority of the sender is verified at the receiver. Authorized users’ scores should, in theory, always be higher than illegal users’ scores. If this is the case, a single threshold might be used to distinguish between authorized and unauthorized users by separating the two sets of scores. The results are compared to those obtained using an approach that does not employ DWT.     

Therapeutic Effect of Green Synthesized Silver Nanoparticles Using Erodium glaucophyllum Extract against Oral Candidiasis: In Vitro and In Vivo Study

Oral candidiasis (OC) is a fungal infection caused by an opportunistic fungi Candida albicans, which is found in the normal flora of healthy people. In this study, we examined the anti-candidal effect of green synthesized silver nanoparticles using leaf extract of Erodium glaucophyllum (EG-AgNPs) against C. albicans in vitro and in vivo. EG-AgNPs were synthesized for the first time using E. glaucophyllum extract and characterized by imaging (transmission electron microscopy (TEM), UV-VIS spectroscopy, zeta potential, X-ray diffraction (XRD), Energy dispersive x-ray analysis (EDX), and Fourier transform infrared spectroscopy (FTIR). A mouse model of OC was used for in vivo study. The agar well diffusion method showed the anti-candidal activity of EG-AgNPs against C. albicans with MIC 50 µg/mL. EG-AgNPs inhibited the dimorphic transition of C. albicans and suppressed the formation of biofilm by 56.36% and 52%, respectively. Additionally, EG-AgNPs significantly inhibited the production of phospholipases and proteinases by 30% and 45%, respectively. EG-AgNPs cause cytoplasm disintegration and deterioration of cell wall as imaged by SEM and TEM. Interestingly, EG-AgNPs did not display any cytotoxicity on the human gingival fibroblast-1 HGF-1 cell line at MIC concentrations. Topical treatment of the tongue of the OC mouse model with EG-AgNPs showed significant reduction in candidal tissue invasion, less inflammatory changes, and no tissue modification, in association with marked low scare and hyphal counts as compared to control group. In conclusion, our data demonstrated the potent inhibitory action of EG-AgNPs on the growth and morphogenesis of C. albicans in vitro and in vivo. Thus, EG-AgNPs represent a novel plausible therapeutic approach for treatment of OC.     

Genus Smenospongia: Untapped Treasure of Biometabolites—Biosynthesis,Synthesis, and Bioactivities

Marine sponges continue to attract remarkable attention as one of the richest pools of bioactive metabolites in the marine environment. The genus Smenospongia (order Dictyoceratida, family Thorectidae) sponges can produce diverse classes of metabolites with unique and unusual chemical skeletons, including terpenoids (sesqui-, di-, and sesterterpenoids), indole alkaloids, aplysinopsins, bisspiroimidazolidinones, chromenes, γ-pyrones, phenyl alkenes, naphthoquinones, and polyketides that possessed diversified bioactivities. This review provided an overview of the reported metabolites from Smenospongia sponges, including their biosynthesis, synthesis, and bioactivities in the period from 1980 to June 2022. The structural characteristics and diverse bioactivities of these metabolites could attract a great deal of attention from natural-product chemists and pharmaceuticals seeking to develop these metabolites into medicine for the treatment and prevention of certain health concerns.     

Antioxidant,Antibacterial, and Antifungal Activities of the Ethanolic Extract Obtained from Berberis vulgaris Roots and Leaves

This work assessed the phenolic and flavonoid components and their antioxidant, antifungal, and antibacterial effects in the ethanolic extract of barberry leaf and roots. The antibactericidal activity of root and leaf extracts against pathogenic bacteria was tested using agar diffusion and microdilution broth production for the lowest inhibitory concentration (MIC). Berberis vulgaris root and leaf extracts inhibited Staphylococcus aureus ATCC9973, Escherichia coli HB101, Staphylococcus enteritis, and Escherichia coli Cip812. The disc assay technique was used to assess the bactericidal activity of the extracts versus both pathogenic Gram-positive and Gram-negative strains. Hydro alcoholic extract was more effective against bacterial than fungal strains. The results showed that Berberis vulgaris leaf and roots extract had similar antifungal activities. Berberis vulgaris root extract inhibited the mycelial growth of Penicillium verrucosum, Fusarium proliferatum, Aspergillus ochraceous, Aspergillus niger, and Aspergillus flavus. Berberis vulgaris root extract has excellent antioxidant, antibacterial, and antifungal effects. Berberis vulgaris exhibited antimicrobial activity in vitro, and MIC showed that Berberis vulgaris parts efficiently affected pathogens in vitro. In conclusion, both Berberis vulgaris roots and leaves have considerable antibacterial activity and can be used as a source of antibacterial, antioxidant, and bioactive compounds to benefit human health.