Immobilization of biomolecular anthocyanin natural sensor into plasma-cured polyethylene terephthalate fibers from recycled plastic waste for determination of ammonia.

Polyester textiles have been applied in numerous industrial applications. Polyester fibers are characterized with being excellent insulators to electricity, having excellent flexural and impact strength, ease of manufacture, low-cost, as well as having resistance to moisture and chemicals. However, polyester fibers cannot be stained due to the absence of active dyeing sites on the surface of the fibrous structure. Thus, polyester cannot be dyed after it has been extruded. Herein, we report the development of novel-colored polyester fabrics using plasma-assisted dyeing and anthocyanin natural probe for determination of ammonia that may cause severe harmful effects to human organs and even death. Anthocyanin was extracted from red cabbage and characterized. The water-soluble anthocyanin was fastened to polyester fibers by mordant (potash alum) to generate anthocyanin-mordant coordinative complex nanoparticles. Polyester can be treated with thin layer of anthocyanin probe after activation with plasma. The results showed excellent colorfastness, ultraviolet blocking, and antibacterial performance of the anthocyanin-dyed polyester (APET) fibers. The APET fibers showed great potential for developing a portable colorimetric device for an on-site detection of ammonia. APET displayed a detection limit of aqueous ammonia in the range of 25-200 ppb, displaying a change in color from purple (542 nm) to white (387 nm).

Synthesis, computational and antimicrobial evaluation of some new pyridine derivatives.

A series of pyridine compounds were prepared by using 3-(dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one (14) as a precursor. The reaction of 14 with different reagents afforded different new heterocyclic compounds. All the new compounds were characterized by spectroscopic analyses. Moreover, the density function theory study was made to establish the geometry of the tested compounds. The antimicrobial activities of the newly prepared pyridine derivatives were studied against Gram-positive bacteria (Bacillus subtilis and Bacillus thuringiensis) and Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa) and fungi (Fusarium oxysporum and Botrytis fabae) by the minimal inhibitory concentration method. Compounds belonging to the pyran 32, pyridine 33, indenopyran 34, thiazolopyridine 35, and chromene 39 series displayed a high antimicrobial activity. It was found that the experimental results of the biological evaluation were in agreement with the molecular modeling studies.

Synthesis of (tricyanofuran-3-ylmethylene)hydrazinyl thiazole-containing chromophore: A study of its photophysical properties, solvatochromism, and TD-DFT computations.

The chromophore 2-2-(3-cyano-5,5-dimethyl-4-((2-[thiazol-2-yl]hydrazono)methyl)-furan-2(5H)-ylidene)malononitrile (TzHTCF) was prepared by diazo-coupling of diazotized 2-aminothiazole with 3-cyano-2-(dicyanomethylene)-4,5,5-trimethylfuran (TCF). The TzHTCF absorption solvatochromism, in different polarity solvents, demonstrated a ΔEmax = +4.74 in which the positive sign implied the occurrence of a red shift and the TzHTCF lowest excited state was more polar than its ground state. In addition, the TzHTCF fluorescence spectrum produced a λem in the 416-670 nm range and was more dependent on the solvent polarity than the absorption λmax , despite both exhibiting a red shift of 24 and 254 nm, respectively. To discover the Stokes shift ( ∆ ν ¯ ) behaviour of the TzHTCF derivative, Lippert-Mataga and linear solvation-energy relationship (LSER) formulations were utilized in which the LSER approach displayed better results than the Lippert-Mataga method (R2 = 0.9931). Furthermore, the LSER showed that the absorption and fluorescence solvatochromic behaviours were dependent on the solvent's hydrogen-bond donor (α) and acceptor (ß), along with the solvent's polarizability (π*). Moreover, DFT calculations showed that TzHTCF has a planar configuration and its simulated absorption and emission spectra in dimethyl sulphoxide revealed that λmax primarily originated from the HOMO→LUMO and HOMO-1→LUMO transitions, respectively.

Cellulose Acetate-Cellulose Nanowhisker Nanocomposite Immobilized with a DCDHF-Hydrazone Chromophore toward a Smart Test Strip for Colorimetric Detection of Diethyl Chlorophosphate as a Nerve Agent Mimic.

Exposure to nerve agents, which are usually colorless and odorless gases, may cause organ failure, paralysis, or even quick death. Diethyl chlorophosphate (DCP) has been recognized as one of the most well-known chemical warfare nerve agent mimics. In the current study, we introduce a simple strategy for the development of a portable and reversible nanocomposite-based microporous strip for naked-eye detection of DCP within a few seconds. A dicyanomethylenedihydrofuran hydrazone (DCDHF-H) chromophore was synthesized by an easy azo-coupling reaction and encapsulated in situ during the preparation of cellulose acetate/cellulose nanowhisker/hydrazone (CA-CNW-H) nanocomposites. These CA-CNW-H nanocomposites displayed a bathochromic shift in the absorption intensity of about 142 nm from 438 to 580 nm with the increase of the DCP concentration. The present CA-CNW-H sensor strip displayed a detection limit for DCP ranging from 25 to 200 ppm. The color change of CA-CNW-H from yellow to purple due to exposure to DCP was detected by CIE Lab analysis. The morphology, fibrous crystallinity, thermal stability, and mechanical properties of the prepared CA-CNW-H sensor strips were investigated.

Synthesis and characterization of Cu(II)-pyrazole complexes for possible anticancer agents; conformational studies as well as compatible in-silico and in-vitro assays.

New pyrazole derivatives were prepared and used to synthesize new bioactive agents from Cu(II) complexes that have OSN donors. Analytical and spectral (IR, UV-Vis, MS, 1H NMR, ESR & XRD) instruments characterized these complexes as well as their corresponding ligands. The bonding mode has been modified from ligand to ligand and the molar ratio for isolated complexes has also varied (1:1/1:2, M:L). The geometry of isolated complexes was commonly proposed, based on electronic transitions and ESR spectral-parameters. Via computational approaches, these structures were optimized using standard programs (Gaussian 09 & HyperChem 8.1) under the required basis set. Consequently, important physical characteristics have been obtained after finishing the optimization process. Inhibition behavior of all new synthesizes was studied by MOE module as in-silico approach which conducted versus the crystal structure of NUDT5 protein (6gru) of breast cancer cells. The interaction features summarized from docking processes, reveal effective inhibition validity for new Cu(II) complexes versus breast cancer cells. This according to scoring energy values and the stability of docking complexes in true interaction path (bond length ≤3.5 Å) particularly with Cu(II)-L3 and Cu(II)-L4 complexes. This reflects the possibility of successful behavior during practical application through in-vitro assay that intended in this study. Finally, the degree of toxicity of such new compounds to the breast cancer cell line was determined by in-vitro screening. To judge perfectly on their toxicity, in-vitro screening must compared to positive control as Doxorubicin (reference drug). IC50 values were calculated and represent Cu(II) complexes as outstanding cytotoxic agents which revealed superiority on the reference drug itself.

Development of a Fluorescent Nanofibrous Template by In Situ SNAr Polymerization of Fluorine-Containing Terphenyls with Aliphatic Diols: Self-Assembly and Optical and Liquid Crystal Properties.

Stimulus-responsive supramolecular organogels have been broadly studied, but the assembly of a liquid crystalline organogel with a thermoreversible response remains a challenge. This could be attributed to the difficulty of designing organogelators with liquid crystalline properties. Nucleophilic aromatic substitution (SNAr) has been utilized to produce a diversity of pentafluorobenzene-containing aromatics, which are very regioselective to para positions. Those pentafluorobenzene-functionalized aromatics have been ideal compounds for the preparation of calamitic liquid crystals. In this context, novel fluoroterphenyl-containing main-chain polyether (FTP@PE) was synthesized using in situ SNAr polymerization as a convenient and effective synthetic strategy toward the development of fluorescent liquid crystals bearing fluoroterphenyl and ether groups. The fluoroterphenyl unit was synthesized by Cu(I)-supported decarboxylation cross-coupling of potassium pentafluorobenzoate and 1,4-diiodobenzene. The chemical structures of FTP@PE were studied with 1H/13C/19F nuclear magnetic resonance and infrared spectra. The liquid crystal mesophases were determined with differential scanning calorimetry and polarizing optical microscopy. Ultraviolet-visible absorbance and emission spectral profiles showed solvatochromic activity. The nanofibrous morphologies were studied with a scanning electron microscope. The organogels of FTP@PE were developed in a number of solvents via van der Waals attraction forces of aliphatic moieties and π stacking of fluoroterphenyl groups. They demonstrated thermoreversible responsiveness.