Design, Synthesis, and Biological Evaluation of Some Novel o-aminophenol Derivatives.

Background: o-Aminophenol derivatives are of particular interest for their di-verse biological activities and potential therapeutic applications. Such as, antioxidant, an-tibacterial, and cytotoxic activities.

Objective: This study aimed to design and synthesize a series of novel o-aminophenol de-rivatives through an efficient multi-step process, characterize them using modern spectro-scopic techniques, and evaluate their antimicrobial, antioxidant, and cytotoxic activities.

Syntheses, structures and anti-cancer activities of Cu and Zn complexes containing 1,1'-[(3-fluoro-phen-yl)methyl-ene]bis-[3-(3-fluoro-phen-yl)imidazo[1,5-]pyridine].

Two novel complexes, [Cu()Cl] and [Zn()Cl], were synthesized from 1,1'-[(3-fluoro-phen-yl)methyl-ene]bis-[3-(3-fluoro-phen-yl)imidazo[1,5-]pyridine] (), and copper(II) and zinc(II) chloride, respectively. The structures of these complexes were confirmed using ESI-MS, IR and H NMR spectra. The results reveal mononuclear structures in which the central metal atoms are coordinated by two N atoms from the imidazole rings and two Cl ligands.

Crystal structures and photophysical properties of mono- and dinuclear Zn complexes flanked by tri-ethyl-ammonium.

Two new zinc(II) complexes, tri-ethyl-ammonium di-chlorido-[2-(4-nitro-phen-yl)-4-phenyl-quinolin-8-olato]zinc(II), (CHN){Zn(CHNO)Cl] (), and bis-(tri-ethyl-ammonium) {2,2'-[1,4-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato}bis-[di-chlorido-zinc(II)], (CHN)[Zn(CHNO)Cl] (), were synthesized and their structures were determined using ESI-MS spectrometry, H NMR spectroscopy, and single-crystal X-ray diffraction. The results showed that the ligands 2-(4-nitro-phen-yl)-4-phenyl-quinolin-8-ol () and ,'-bis-(2-hy-droxy-benzyl-idene)benzene-1,4-di-amine () were deprotonated by tri-ethyl-amine, forming the counter-ion EtNH, which inter-acts an N-H⋯O hydrogen bond with the ligand. The Zn atoms have a distorted trigonal-pyramidal () and distorted tetra-hedral () geometries with a coord-ination number of four, coordinating with the ligands N and O atoms.

Correction: Performance of ferrite nanoparticles in inductive heating swing adsorption (IHSA): how tailoring material properties can circumvent the design limitations of a system.

Correction for 'Performance of ferrite nanoparticles in inductive heating swing adsorption (IHSA): how tailoring material properties can circumvent the design limitations of a system' by Maxim De Belder , , 2024, , 4144-4149, https://doi.org/10.1039/d4mh00377b.

Synthesis and evaluation of isothiazolo[4,5-]pyridines as cyclin G-associated kinase (GAK) inhibitors.

Isothiazolo[4,3-]pyridines have been extensively explored as inhibitors of cyclin G-associated kinase (GAK). In order to expand the structure-activity relationship study and to discover other chemotypes that act as GAK inhibitors, the closely related isothiazolo[4,5-]pyridine scaffold was explored. An easy and efficient synthetic procedure to access 3,5- and 3,6-dihalogenated isothiazolo[4,5-]pyridines as key building blocks was developed.

Benzo-Fused BOPAM Fluorophores: Synthesis, Post-functionalization, Photophysical Properties and Acid sensing Applications.

A novel category of asymmetric boron chromophores with the attachment of two BF moieties denoted as BOPAM has been successfully synthesized via a one-pot three-step reaction starting from N-phenylbenzothioamide. This synthetic route results in the production of [a] and [b]benzo-fused BOPAMs along with post-functionalization of the [a]benzo-fused BOPAMs. The photophysical properties of these compounds have been systematically investigated through steady-state absorption and fluorescence emission measurements in solvents at both ambient and cryogenic temperatures, as well as in the solid state.

Synthesis and computational evaluation of the antioxidant activity of pyrrolo[2,3-]quinoxaline derivatives.

Pyrrolo[2,3-]quinoxaline derivatives are known to possess antioxidant, anticancer, and antibacterial properties. Here we report the successful synthesis of five derivatives of 3-hydroxy-3-pyrroline-2-one through substitution. The 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay was employed to evaluate the antioxidant activity of the compounds.

Synthesis, crystal structure and photophysical properties of a dinuclear Mn complex with 6-(di-ethyl-amino)-4-phenyl-2-(pyridin-2-yl)quinoline.

A new quinoline derivative, namely, 6-(di-ethyl-amino)-4-phenyl-2-(pyridin-2-yl)quinoline, CHN (), and its Mn complex aqua-1κ-di-μ-chlorido-1:2κ :-di-chlorido-1κ,2κ-bis-[6-(di-ethyl-amino)-4-phenyl-2-(pyridin-2-yl)quinoline]-1κ , ;2κ , -dimanganese(II), [MnCl(CHN)(HO)] (), were synthesized. Their compositions have been determined with ESI-MS, IR, and H NMR spectroscopy. The crystal-structure determination of revealed a dinuclear complex with a central four-membered MnCl ring.

Performance of ferrite nanoparticles in inductive heating swing adsorption (IHSA): how tailoring material properties can circumvent the design limitations of a system.

Inductive heating swing adsorption (IHSA) using hybrid adsorbents incorporating a porous material and ferrite nanoparticles holds promise to be a performant, electrified alternative for conventional gas separation. Successful implementation of hybrid adsorbents in IHSA depends on achieving a maximal specific absorption rate (SAR) in the conditions and at the frequency of the induction setup. This paper outlines and demonstrates successful strategies for optimization of the particle composition, tailoring the coercivity and susceptibility of the ferrite particles to optimal performance in a given alternating magnetic field.

Synthesis and crystal structures of three organoplatinum(II) complexes bearing natural aryl-olefin and quinoline derivatives.

Three organoplatinum(II) complexes bearing natural aryl-olefin and quinoline derivatives, namely, [4-meth-oxy-5-(2-meth-oxy-2-oxoeth-oxy)-2-(prop-2-en-1-yl)phen-yl](quinolin-8-olato)platinum(II), [Pt(CHO)(CHNO)], (), [4-meth-oxy-5-(2-oxo-2-propoxyeth-oxy)-2-(prop-2-en-1-yl)phen-yl](quinoline-2-carboxy-l-ato)platinum(II), [Pt(CHO)(CHNO)], (), and chlorido-[4-meth-oxy-5-(2-oxo-2-propoxyeth-oxy)-2-(prop-2-en-1-yl)phen-yl](quinoline)-plat-inum(II), [Pt(CHO)Cl(CHN)], (), were synthesized and structurally characterized by IR and H NMR spectroscopy, and by single-crystal X-ray diffraction. The results showed that the cyclo-platinated aryl-olefin coordinates with Pt the carbon atom of the phenyl ring and the C=C group. The deprotonated 8-hy-droxy-quinoline (CHNO) and quinoline-2-carb-oxy-lic acid (CHNO) coordinate with the Pt atom the N and O atoms in complexes () and () while the quinoline (CHN) coordinates the N atom in ().

Palladium-Catalyzed Arylations towards 3,6-Diaryl-1,3a,6a-triazapentalenes and Evaluation of Their Fluorescence Properties.

Methyl 4-(1,3a,6a-triazapentalen-3-yl)benzoate () shows interesting properties as a small molecule fluorophore. In the search for post-functionalization methods, palladium-catalyzed arylation reactions were demonstrated. Direct CH arylation reactions of with various aryl halides resulted in 3,6-diaryltriazapentalenes , although mostly in poor yields.

Synthesis, crystal structure and anti-cancer activity of the complex chlorido-(η-ethyl-ene)(quinolin-8-olato-κ,)platinum(II) by experimental and theoretical methods.

The complex [Pt(CHNO)Cl(CH)], (I), was synthesized and structurally characterized by ESI mass spectrometry, IR, NMR spectroscopy, DFT calculations and X-ray diffraction. The results showed that the deprotonated 8-hy-droxy-quinoline (CHNO) coordinates with the Pt atom the N and O atoms while the ethyl-ene coordinates in the η manner and in the position compared to the coordinating N atom. The crystal packing is characterized by C-H⋯O, C-H⋯π, Cl⋯π and Pt⋯π inter-actions.

Synthesis of a 3,7-Disubstituted Isothiazolo[4,3-]pyridine as a Potential Inhibitor of Cyclin G-Associated Kinase.

Disubstituted isothiazolo[4,3-]pyridines are known inhibitors of cyclin G-associated kinase. Since 3-substituted-7-aryl-isothiazolo[4,3-]pyridines remain elusive, a strategy was established to prepare this chemotype, starting from 2,4-dichloro-3-nitropyridine. Selective C-4 arylation using ligand-free Suzuki-Miyaura coupling and palladium-catalyzed aminocarbonylation functioned as key steps in the synthesis.

Synthesis, crystal structure and Hirshfeld surface analysis of 2-({5-[(naphthalen-1-yl)meth-yl]-4-phenyl-4-1,2,4-triazol-3-yl}sulfan-yl)-1-(4-nitro-phen-yl)ethanone.

The title compound, CHNOS, crystallizes in the monoclinic system, space group 2/, with = 4. The global shape of the mol-ecule is determined by the orientation of the substituents on the central 4-1,2,4-triazole ring. The nitro-phenyl ring, phenyl ring, and naphthalene ring system are oriented at dihedral angles of 82.

An Extrusion Strategy for On-Demand SFCl Gas Generation from a Commercial Disulfide.

Herein we report a novel methodology for the ex situ generation of SFCl by employing 4,4'-dipyridyl disulfide as a safe commercial reagent, obviating the need for lecture bottles. The method is applicable to certain SFCl-involving transformations by using a two-chamber reactor. Moreover, easily applying SFCl in different solvents is rendered feasible, while avoiding the use of glovebox techniques.

Unusual reaction of ()-2-[(benzo[]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol with tri-phenyl-borane: crystal structures and optical properties.

The mol-ecular and crystal structure of ()-2-[(benzo[]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol (CHNOS, ) and its unexpected reaction product with tri-phenyl-borane, 2,2-diphenyl-1,3-dioxa-2-borata-1,2-di-hydro-naphthalene [systematic name: ,-diethyl-2,2-diphenyl-2-1,3λ,2λ-ben-zodioxaborinin-7-amine, CHBNO, ()] are described. For , the hydroxyl group is involved in an intra-molecular hydrogen bond with the imino nitro-gen atom and the C=N bond displays an configuration. The crystal packing is characterized by layers of inversion dimers parallel to the (10) plane and chains of mol-ecule in the -axis direction formed through C-H⋯O inter-actions.

Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a therapeutic Strategy against cancer.

Overall, drug design is a dynamic and evolving field, with researchers constantly working to improve their understanding of molecular interactions, develop new computational methods, and explore innovative techniques for creating effective and safe medications. The process can involve steps such as the identification of targets, the discovery of lead compounds, lead optimization, preliminary testing, human trials, regulatory approval and finally post-marketing surveillance, all aimed at bringing a new drug from concept to market. In this article, the synthesis of the novel triazolequinoxalin () 1-((1-hexyl-1H-1,2,3-triazol-5-yl)methyl)-3-phenylquinoxalin-2(1H)-one () is reported.

Ex situ Generation of Thiazyl Trifluoride (NSF ) as a Gaseous SuFEx Hub.

Sulfur(VI)-fluoride exchange (SuFEx) chemistry, an all-encompassing term for substitution events that replace fluoride at an electrophilic sulfur(VI), enables the rapid and flexible assembly of linkages around a S core. Although a myriad of nucleophiles and applications works very well with the SuFEx concept, the electrophile design has remained largely SO -based. Here, we introduce S≡N-based fluorosulfur(VI) reagents to the realm of SuFEx chemistry.

Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins.

Interactions between the protein Hen Egg White Lysozyme (HEWL) and three different hybrid Anderson-Evans polyoxometalate clusters - AE-NH2 (δ-[MnMoO{(OCH)CNH}]), AE-CH3 (δ-[MnMoO{(OCH)CCH}]) and AE-Biot (δ-[MnMoO{(OCH)CNHCOCHNOS}]) - were studied tryptophan fluorescence spectroscopy and single crystal X-ray diffraction. Quenching of tryptophan fluorescence was observed in the presence of all three hybrid polyoxometalate clusters (HPOMs), but the extent of quenching and the binding affinity were greatly dependent on the nature of the organic groups attached to the cluster. Control experiments further revealed the synergistic effect of the anionic polyoxometalate core and organic ligands towards enhanced protein interactions.

Three-Step Synthetic Pathway toward Fully Decorated [1,2,3]Triazolo[4,5-]pyrimidine (8-Azapurine) Derivatives.

[1,2,3]Triazolo[4,5-]pyrimidines (8-azapurines) are known bioisosteres of the purine nucleus. A step-efficient synthesis of 8-azapurines, in particular 6-alkyl derivatives, is currently unavailable. This work focuses on a three-step synthetic pathway for the synthesis of fully decorated 8-azapurines, with special attention on 6-alkyl-8-azapurines.

Crystal structure and Hirshfeld surface analysis of -{-[amino-(di-methyl-amino)-meth-yl]carbamimido-yl}-3-bromo-benzene-sulfonamide.

The title compound, CHBrNOS, is the bromo-benzene-sulfonamide derivative of the type 2 diabetes drug metformin. The asymmetric unit contains two mol-ecules with almost identical conformations but a different orientation of the bromo-phenyl moiety. Both mol-ecules exhibit intra-molecular N-H⋯N and N-H⋯O hydrogen bonds.

Oxygen-induced chromophore degradation in the photoswitchable red fluorescent protein rsCherry.

Reversibly switchable monomeric Cherry (rsCherry) is a photoswitchable variant of the red fluorescent protein mCherry. We report that this protein gradually and irreversibly loses its red fluorescence in the dark over a period of months at 4 °C and a few days at 37 °C. We also find that its ancestor, mCherry, undergoes a similar fluorescence loss but at a slower rate.

Visible-Light-Induced Cascade Difunctionalization of Indoles Enabled by the Synergy of Photoredox and Photoexcited Ketones: Direct Access to Alkylated Pyrrolophenanthridones.

Herein, we describe a methodology to construct polycyclic pyrrolophenanthridones with an (amino)alkyl side chain that involves visible-light-induced decarboxylative radical addition for the intermolecular dearomatization of indoles and subsequent photoinduced C(sp)-X bond activation via photoexcited ketones for an intramolecular cyclization cascade. Carboxylic acids serve both as a radical source toward indole dearomatization and as reductants to initiate an electron transfer with photoexcited -acylindole derivatives in the reaction toward pyrrolophenantridone skeletons, which occurs under mild reaction conditions with good functional group tolerance.

Gold(I)-Catalyzed Intramolecular Bicyclization: Divergent Construction of Quinazolinone and Ampakine Analogues.

A gold(I)-catalyzed cascade intramolecular cyclization of Ugi adducts for the divergent construction of quinazolinone and ampakine analogues has been developed in a rapid, highly efficient and step-economical manner. This protocol shows high yields, excellent functional-group tolerance, broad substrate scope and excellent chemo- and regioselectivity. The practicality of this strategy is further demonstrated by a scale-up reaction.