Herein we report the synthesis of organic selenide-based maleanilic and succinanilic acids in good yields (up to 95%). Their structural identities were elucidated by spectroscopic techniques (e.g., IR, 1H- & 13C-NMR, MS). The ADMET analysis, molecule electrostatic potential map, DFT, frontier molecular orbital used study organoselenium compounds’ pharmacokinetics, drug-likeness characteristics, geometries, chemical electronic properties. Moreover, a docking tool was employed investigate...

Abstract Herein we report the development of a photocatalytic strategy for divergent preparation functionalized bicyclo[1.1.1]pentylamines. This approach exploits, first time, ability nitrogen‐radicals to undergo strain‐release reaction with [1.1.1]propellane. reactivity is facilitated by electrophilic nature these open‐shell intermediates and presence strong polar effects in transition‐state C−N bond formation/ring‐opening. With aid simple reductive quenching photoredox cycle, have...

V-series nerve agents are very lethal to health and cause the inactivation of acetylcholinesterase which leads neuromuscular paralysis and, finally, death. Therefore, rapid detection elimination important. Herein, we have carried out a theoretical investigation carbon nitride quantum dots (C2N) as an electrochemical sensor for agents, including VX, VS, VE, VG, VM. Adsorption on C2N is explored at M05-2X/6-31++G(d,p) level theory. The theory chosen quite adequate in systems describing...

Visible-light photoredox catalysis enables the vinylation and allylation of electrophilic radicals with readily available potassium trifluoroborate reagents. The processes show good functional group compatibility, mechanistic computational studies have elucidated some aspects associated key radical addition step.

Novel organic selenides were developed in good yields (up to 91%), and their chemical entities confirmed by IR, MS, 1H- 13C-NMR spectroscopy. Their anticancer antimicrobial properties estimated against different human cancer (MCF-7 HepG2) healthy (WI-38) cell lines, as well several microbial strains (Escherichia coli, Staphylococcus aureus, Candida albicans). Furthermore, the 2,2-diphenyl-1-picrylhydrazyl (DPPH) 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) bioassays used for...

A series of novel 1,2,4-oxadiazole-based derivatives were synthesized and evaluated for their potential anti-Alzheimer disease activity.

ABSTRACT Herein, we report the design, synthesis, and characterization of novel organoselenium (OSe) hybrids ( 5 – 19 ) via modifications lead, N ‐(4‐selaneylphenyl)‐2‐selaneylacetamide. The OSe‐based thiazol 9 showed highest growth inhibition % (GI%) 64.72% relative to positive reference doxorubicin (DOX), with a GI% 79.5%. Furthermore, OSe derivatives low values compared normal cell lines employed, demonstrating their selectivity. tethered ‐chloroacetamide Schiff base cytotoxic effect an...

CPMAS 13C NMR spectroscopy was used to characterize humic acid (HA) extracted from three types of composted agricultural Saudi waste different origins, including crop plants (P), date palm fronds (D), and animal (A). The intensity each region estimated by the spectrum indicating that HA (P) has a lower carbohydrate content than other two samples. There greater presence aromatic carbon substituted oxygen or nitrogen in (A) while contained highest aliphatic compounds. All samples exhibited...

Abstract Herein we report the development of a photocatalytic strategy for divergent preparation functionalized bicyclo[1.1.1]pentylamines. This approach exploits, first time, ability nitrogen‐radicals to undergo strain‐release reaction with [1.1.1]propellane. reactivity is facilitated by electrophilic nature these open‐shell intermediates and presence strong polar effects in transition‐state C−N bond formation/ring‐opening. With aid simple reductive quenching photoredox cycle, have...

Herein we report the synthesis of peptide-like and tetrazole-based organoselenium compounds via Ugi Ugi-azide reactions, respectively. The compounds' intrinsic cytoprotective antioxidant capacities were evaluated in 158 N 158JP murine oligodendrocytes. Furthermore, their redox properties theoretically using Molecular Operating Environment-docking studies. Most did not exhibit any cytotoxicity against cells. Among tested compounds, tetrazole- (e.g., 6, 7, 9) pseudopeptide-based 11, 15, 17)...

Hydroxamic acids are recognized chelators for various metals; however, using them as functional groups on carbon nanotubes (CNTs) is rare. In this study, novel multi-walled (MWCNTs) functionalized with hydroxamic acid derivatives were developed. The MWCNTs first oxidized, and the resulting product, MWCNT-COOH (A), was treated oxalyl chloride to yield MWCNT-COCl. susceptible reacting hydroxylamine of type R–NHOH produced following (MWCNT-HA): MWCNT-CONOHMe (B), MWCNT-CONOHCOMe(C),...

Effect of gamma irradiation on optical bandgap PEVA/glass-powder membranes.

Novel methyl anthranilate-based organodiselenide hybrids were synthesized, and their chemical structures confirmed by state-of-the-art spectroscopic techniques. Their antimicrobial properties assessed against Staphylococcus aureus, Escherichia coli, Candida albicans microbial strains. Moreover, the antitumor potential was estimated liver breast carcinomas, as well primary fibroblast cell lines. The aureus strains more sensitive than coli toward OSe compounds. Interestingly,...

We report the design and synthesis of novel hydroxamic acid-tethered organoselenium (OSe) hybrids. Their antimicrobial anticancer activities were assessed against different microbes (e.g., Candida albicans (C. albicans), Escherichia coli (E. coli), Staphylococcus aureus (S. aureus)), as well liver breast carcinomas. OSe hybrid 8 showed promising activity, with IC50 = 7.57 ± 0.5 µM HepG2 9.86 0.7 MCF-7 cells. Additionally, compounds 15 exhibited activities, particularly C. (IA% 91.7 83.3) S....

In this work, acid-functionalized multiwalled carbon (MWCNTs–CO2H) nanotube was successfully functionalized with a heterocyclic scaffold, namely benzimidazole, to give novel nanotubes (BI@MWCNTs). Then, FTIR, XRD, TEM, EDX, Raman spectroscopy, DLS, and BET analyses were used characterize the synthesized BI@MWCNTs. The effectiveness of adsorption two heavy metal ions, Cd2+ Pb2+, in single mixed solutions on prepared material investigated. Influencing parameters for method, example duration,...

Novel methyl anthranilate-based organoselenocyanate hybrids were developed, and their structures confirmed by the state-of-the-art spectroscopic techniques. Their antimicrobial potency was estimated against various microbial strains (e.g., Candida albicans, Escherichia coli, Staphylococcus aureus). The S. aureus C. albicans more sensitive than E. coli toward organoselenocyanates. Interestingly, azoic derivatives 4 9, ester 6, phenoxy acetamide 15 showed promising activity. Moreover,...

Electronic and nonlinear optical properties of endohedral metallofullerenes are presented. The contain transition metal encapsulated in inorganic fullerenes X12Y12 (X = B, Al & Y N, P). (endo-TM@X12Y12) possess quite interesting geometric electronic properties, which the function nature atom size fullerene. NBO charge frontier molecular orbital analyses reveal that Al12N12 (endo-TM@Al12N12) true metalides when metals Ni, Cu Zn. Endo-Cr@Al12N12 endo-Co@Al12N12 at borderline between electrides...

Organoselenium (OSe) compounds and Schiff bases have recently attracted prominent attention due to their promising anti-inflammatory activities. Herein, we disclose the properties of OSe tethered 3a-3c and...