Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI)

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dc.contributor.authorTrabelsi S.
dc.contributor.authorIssaoui N.
dc.contributor.authorBrandán S.A.
dc.contributor.authorBardak F.
dc.contributor.authorRoisnel T.
dc.contributor.authorAtac A.
dc.contributor.authorMarouani H.
dc.date.accessioned2024-07-22T08:08:27Z
dc.date.available2024-07-22T08:08:27Z
dc.date.issued2019
dc.description.abstractThe structure of bis(2-phenylethylammonium) chromate (VI) (2phCr) was determined from X-ray diffraction data. The compound crystallizes in the monoclinic system (space group C2/c) with the lattice parameters: a = 38.136 (2) Å b = 11.2334 (6) Å c = 8.1643 (4) Å; β = 98.480 (2) V = 3459.3 (3) Å 3 and Z = 8. The structure was solved from 3358 independent reflections with R = 0.034 and Rw = 0.1089. The structure consists of discrete anions (CrO 4 2− ) stacked in layers parallel to (b, c) plane at x = 1/4 and 3/4. These anions are connected to the 2-phenylethylammonium cations through N–H⋯O and C–H⋯O hydrogen bonds, forming a two-dimensional arrangement. Crystal structure and spectroscopic studies are reported for the 2phCr. In addition, Hirshfeld surfaces and two-dimensional fingerprint plots estimate the intermolecular interactions accountable for the generation of crystal packing. Furthermore, the title compound was screened for antibacterial activities against five pathogenic strains namely: Escherichia coli ATCC 8739, Salmonella typhimurium ATCC 14028, Staphylococus aureus ATCC 6538, Enterococcus feacium ATCC 19434 and Streptocoque B (Sreptococcus agalactiae) and antifungal activities against a clinical strain called Candida albicans ATCC 10231, corroborating significant activity. In silico investigation of bioactivity of 2phCr was performed via molecular docking analysis with four types of secreted aspartic proteinases (SAP, SAP1, SAP3, and SAP5) from Candida albicans to explore the antifungal properties in comparison to behavior of known antifungals used to treat Candida albicans, and with three types of β-ketoacyl acyl carrier protein synthase enzymes (KAS I (FabB), KAS II (FabF) and KAS III (FabH)) from Escherichia coli in comparison with that of aminothiazole, thilactomycin, and cerulerin antimicrobials. In addition, the complete assignments for 2phCr are reported considering monodentate coordination for the chromate group. © 2019 Elsevier B.V.
dc.identifier.DOI-ID10.1016/j.molstruc.2019.02.106
dc.identifier.issn00222860
dc.identifier.urihttp://akademikarsiv.cbu.edu.tr:4000/handle/123456789/14385
dc.language.isoEnglish
dc.publisherElsevier B.V.
dc.rightsAll Open Access; Green Open Access
dc.subjectCandida
dc.subjectChromates
dc.subjectEnzymes
dc.subjectEscherichia coli
dc.subjectHydrogen bonds
dc.subjectInfrared spectroscopy
dc.subjectMolecular modeling
dc.subjectorganic-inorganic materials
dc.subjectSalmonella
dc.subjectSingle crystals
dc.subjectSpectroscopic analysis
dc.subjectStrain
dc.subjectYeast
dc.subjectAnti-bacterial activity
dc.subjectAnti-fungal activity
dc.subjectIntermolecular interactions
dc.subjectMolecular docking
dc.subjectMonodentate coordination
dc.subjectOrganic-inorganic hybrid materials
dc.subjectPhysic-chemical properties
dc.subjectTwo-dimensional fingerprint
dc.subjectCrystal structure
dc.titleSynthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI)
dc.typeArticle

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