Werner kind clathrates involving guest carboxylic acid and salt in distinct Mn(II) hosts: Experimental and theoretical studies
Two Werner sort clathrates, viz. [Mn(phen)2Cl2]•bzH (2) and [Mn(phen)2Cl(H2O)]•4–NO2bz•3H2O (3) [phen = 1,10-phenanthroline, bzH = benzoic acid 4–NO2bz = 4-nitrobenzoate], are synthesized from a posh precursor [Mn(phen)2Cl2] (1). The synthesized compounds are characterised by X-ray crystal structure analysis, FT-IR, electronic spectra, ESR and TGA. The crystal structure of the clathrates reveal the self-assembled inclusion of bzH and 4–NO2bz in distinct monomeric Mn(II) hosts. The enclathration of the guest molecules within the host monomers of the Mn(II) complexes brings rigidity to the structures. The supramolecular assemblies involving varied non-covalent interactions ascertained within the solid state of compounds one and a couple of are analysed energetically victimization DFT calculations and rationalized using MEP surfaces and NCI plot index machine tools. The studies reveal the cooperativity between π–π and C H⋯Cl interactions in one and therefore the stabilization of a self assembled bzH chemical compound in two. The microorganism activities are investigated for the compounds. [1]
Crystal structure, non-covalent interaction and molecular moorage studies of 2-benzoic acid and its atomic number 66 catalysed cyclized product: 2-(phenyl-sulfonyl)phthalazin-1(2H)-one
The condensation reaction of equimolar benzenesulphonohydrazide and 2-carboxybenzaldehyde gave the Schiff base 2-benzoic acid (BSHOPA). The reaction of 2-benzoic acid with dysprosium(III)acetatetetrahydrate gave the cyclized product 2-(phenylsulfonyl)phthalazin-1(2H)-one (PSP). The compounds were characterised by elemental analysis, UV-VIS, IR, 1H NMR, spectrometry and single crystal X-ray determination. The uneven BSHOPA molecule crystallized within the anorthic and, P1¯ crystal system and house grouprespectively, whereas PSP crystallized within the monoclinic and, P21/n crystal system and house cluster severally. within the crystal structure of the Schiff base (BSHOPA), the molecules are joined by building block atomic number 1 bondsinvolving group oxygens, element atoms and sulphonyl oxygens. The chair structures of PSP are stacked through pi-pi interactions between benzine rings. Non-covalent interactions (NCI) analysis of the compounds discovered variety of intermolecular/intramolecular non-covalent interactions helpful the crystal structures. Antibiotic efficiency of the 2 compounds were investigated by moorage against deoxyribonucleic acid gyrase. Results showed that they incontestible affinity for the target antibiotic supermolecule with free binding energies of −3.33 kcal/mol (BSHOPA) and −5.67 kcal/mol (PSP). [2]
Photochemical Studies and Photoinduced Antibacterial Properties of Silver Nanoparticle-Encapsulated Biomacromolecule Bovine Serum Albumin Functionalised with Photoresponsive Chromophoric System 2-[(E)-(3-Hydroxynaphthalen-2-yl) diazenyl] Benzoic Acid
This study establishes the synthesis of silver nanoparticles (AgNPs), synthesis of a photoresponsive system 2-[(E)-(3-hydroxynaphthalen-2-yl) diazenyl] carboxylic acid, and encapsulation of AgNPs into the biomacromolecular system, bovine albumin (BSA) functionally changed with the photoactive system by means that of DCC coupling. The optical properties, structural properties, morphology, and size distribution were confirmed by varied characterisation techniques like ultraviolet (UV)/visible, Fourier rework infrared (FTIR), nuclear resonance (NMR), photoluminescence (PL) spectroscopic analysis, scanning microscopy (SEM), transmission microscopy (TEM), and diffraction analysis (XRD). The photograph responsive behaviour of the functionally changed BSA and nanoparticle distributed system were investigated. The medication effects of AgNPs and photograph iatrogenic antimicrobial properties of the functionally changed BSA-AgNP conjugates were evaluated against some selected bacterial strains like Corynebacterium diphtheriae (gram +ve), eubacterium genus Cereus (gram +ve), Raoultella ornithinolytica (gram -ve), and salmonella (gram -ve) mistreatment disc diffusion. we have a tendency to found that silver nanoparticles encapsulating functionally changed BSA appear to be an efficient photographactive antimicrobial agent against the multidrug resistant strains of bacterium with higher photo responsive properties and with wide applications in antimicrobial photodynamic medical care (APDT). [3]
Pd(II)-catalysed meta-C–H functionalizations of benzoic acid derivatives
Benzoic acids are extremely vital structural motifs in drug molecules and natural merchandise. Selective C–H bond functionalization of carboxylic acid acids can give synthetically helpful tools for step-economical organic synthesis. though direct ortho-C–H functionalizations of carboxylic acid acids or their derivatives are intensely studied, the power to activate meta-C–H bond of carboxylic acid acids or their derivatives in a very general manner via transition-metal contact action has been for the most part unsuccessful. though chelation-assisted meta-C–H functionalization of electron-rich arenes was rumored, chelation-assisted meta-C–H activation of electron-poor arenes like carboxylic acid derivatives remains a formidable challenge. Herein, we have a tendency to report a general protocol for meta-C–H olefination of carboxylic acid derivatives employing a nitrile-based bactericide templet. A broad vary of carboxylic acid derivatives are meta-selectively olefinated mistreatment molecular gas because the terminal oxidizer. The meta-C–H acetoxylation, product of that is additional reworked at the meta-position, is additionally rumored. [4]
RP-HPLC Determination of Benzoic Acid in Samples of Children Food Distributed in Aden-Yemen
Reverse section superior liquid activity technique that enables the determination of the preservative carboxylic acid is represented. Separations were tormented by exploitation associate initial mobile section of methanol–acetate buffer (pH four.4), (35:65). Separation of carboxylic acid is achieved in seven.10 min. Analytical performance of separation like the limit of detection, limit of quantification, linear vary and dependableness were evaluated. the tactic was applied to see the quantities of carboxylic acid in thirty two native and foreign kids food product distributed in Aden-Yemen, comprising, milk and chesses, food for infants and young children; cakes, juices and jam. The results show that the ranges of carboxylic acid within the studied samples vary greatly from one.8 mg/L to eight49.3 mg/L. [5]
Reference
[1] Saha, U., Dutta, D., Bauzá, A., Frontera, A., Sarma, B. and Bhattacharyya, M.K., 2019. Werner type clathrates involving guest benzoic acid and benzoate in discrete Mn (II) hosts: Experimental and theoretical studies. Polyhedron, 159, pp.387-399. (Web Link)
[2] Asegbeloyin, J.N., Izuogu, D.C., Oyeka, E.E., Okpareke, O.C. and Ibezim, A., 2019. Crystal structure, non-covalent interaction and molecular docking studies of 2-{[2-phenylsulfonyl) hydrazinylidene] methyl} benzoic acid and its dysprosium catalysed cyclized product: 2-(phenyl-sulfonyl) phthalazin-1 (2H)-one. Journal of Molecular Structure, 1175, pp.219-229. (Web Link)
[3] Jose, L.M. and Kuriakose, S., 2019. Photochemical studies and photoinduced antibacterial properties of silver nanoparticle-encapsulated biomacromolecule bovine serum albumin functionalised with photoresponsive chromophoric system 2-[(E)-(3-Hydroxynaphthalen-2-yl) diazenyl] Benzoic Acid. Macromolecular Research, 27(1), pp.73-82. (Web Link)
[4] Pd(II)-catalysed meta-C–H functionalizations of benzoic acid derivatives
Shangda Li, Lei Cai, Huafang Ji, Long Yang & Gang Li
Nature Communications volume 7, Article number: 10443 (2016) (Web Link)
[5] RP-HPLC Determination of Benzoic Acid in Samples of Children Food Distributed in Aden-Yemen
A. M. Saeedan
Chemistry Department, College of Education – Aden, Aden University, Yemen
S. Kh. Bamoteref
Chemistry Department, College of Science, Hadramout University, Muklla, Yemen
M. A. Algahri
Chemistry Department, College of Education – Aden, Aden University, Yemen (Web Link)
