UV-Vis Techniques Research Articles

Preparation of GO/BiOI composites and their degradation performance in Congo red solution

GO/BiOI photocatalytic nanocomposites were synthesized through a hydrolysis precipitation method, utilizing (Bi(NO3)3·5H2O) as the bismuth precursor and graphene oxide (GO) as the substrate. The removal effect of the material on Congo red (CR) in water was investigated by taking CR as the target pollutant. The composite’s structure and characteristics were examined through various analytical methods, including XRD, BET, FT-IR, FE-SEM, TEM, and UV–Vis techniques. The findings indicate that the integration of GO with BiOI preserves the layered crystalline structure of BiOI and mitigates particle aggregation. The specific surface area of the GO/BiOI composites increased significantly, from 21.98 m2/g for BiOI to 80.2586 m2/g, and the bandgap was decreased from 1.94 eV to 1.82 eV. The GO/BiOI photocatalytic degradation conformed to the first-order kinetic model. When the initial concentration of CR was 20 mg/L, the rate constant was the largest, and the correlation coefficient was 0.9988. At a dosage of 200 mg/L for GO/BiOI, with an initial concentration of 20 mg/L for CR solution, a pH level of 5, and under LED illumination at 12 W, the composite material achieved a CR removal efficiency of 96.09 %. After being reused five times, the removal rate could still reach more than 90 %.

Antifungal, antibacterial and DNA binding profile of three novel Zn(II), Cd(II) and Hg(II) complexes of a pyrazole-based Schiff-base ligand: Synthesis, crystal structures, DFT studies and spectroscopic investigation

Three new mononuclear Zn(II), Cd(II) and Hg(II) complexes, [Zn(MPAFA)3](ClO4)2 (1), [Cd(MPAFA)3](ClO4)2 (2) and [Hg(MPAFA)Cl2] (3) of a pyrazole based ‘NN’ bidentate Schiff-base ligand, N-(furan-2-ylmethyl)-1-(5-methyl-1H-pyrazol-3-yl)methanimine, (MPAFA) (L) were synthesized and characterized by elemental analyses, conductance, IR, NMR (1H and 13C), UV-Vis and fluorescence spectral techniques. Molar conductance measurements identified both 1 and 2 as 1:2 electrolytes, while 3 as a non-electrolyte. Single crystal X-ray diffraction studies recognized complexes 1 and 2 as distorted octahedral species with a N6 donor set. The presence of strong non-covalent interactions, such as intramolecular hydrogen bonding and π···π stacking within the complex molecules has been found to contribute to the enhanced stability of the complexes. In absence of single crystal, the structural feature of complex 3 has been confirmed by DFT studies and it has been found to adopt a distorted square-planar geometry with a N2Cl2 coordination. DFT calculations have also been conducted for 1 and 2. The TD-DFT absorption spectral studies supported the experimental results, indicating that the simulated peaks aligned reasonably well with the experimentally resolved peaks. Furthermore, the ligand and all its complexes exhibited effective antifungal activity against Colletotrichum siamense (AP1) and Fusarium equisetum (F.E) fungi. They also displayed promising antibacterial activity against both the gram-negative bacterium Klebsiella sp. (KS) and the gram-positive bacterium Methicillin-resistant Staphylococcus aureus (MRSA). The binding interactions of 1, 2 and 3 with calf-thymus DNA (CT-DNA) have also been studied using a combination of UV-Vis and fluorescence spectroscopic methods.

Hybrid Supports for Oligonucleotide Synthesis: Controlled Pore Glass Derivatives with Branched Amine-Ended Polyether or Polyimine.

Controlled pore glass (CPG), differing in pore size and subsequent specific surface, was chemically modified by: (1) increasing surface susceptibility for amine functionalization via reaction with oxirane-type (active) and alkyl/aryl-type (inactive towards amine compounds) silane pro-adhesive compounds, and (2) immobilization of trimethylolpropane tris[poly(propylene glycol), amine terminated] ether, comb-like 8-arm octa[poly(ethylene glycol) amine] with each branch amine terminated, and a poly(propylene imine) amine-terminated second-generation dendrimer. The increase in surface density of amine functions-monitored by UV-Vis technique adopted for quantitative measurements of Ruhemann's purple intensity-improved final loading capacity, characterized by dimethoxytrityl cation absorption. Obtained materials proved their applicability in automatic oligonucleotide (ON) synthesis, especially when silanized 2000 Å CPG modified with 8-arm octa[poly(ethylene glycol) amine], with deduced empirical formula CPG-silane-(NH)5.7PEG-(NH2)2.3, was used for long-chain (150 nucleotides) ONs synthesis. This can be regarded as a good CPG support for this purpose. Moreover, hybrid supports with different porosity allowed the synthesis of shorter ONs with satisfactory yield and purity, monitored by RP-HPLC and MALDI-TOF. On the molecular level, two competitive mechanisms seem to influence the utility of the final hybrid support: spatial availability of active sites and the propensity of the functionalizer to bond with the CPG surface.

Comparative study of cerium-manganese ratios in the design of Ce-Mn-binuclear LDH-based Cu complex: a potent nanocatalyst for the green synthesis of spiro[acridine-9,3’-indole]triones

The Ce-Mn binuclear LDH was prepared at four different molar ratios of Ce to Mn (1:1, 1:2, 1:3, and 1:4), modified with both 3-chloropropyltrimethoxysilane (CPTMS) and N-amino-phthalimide (NAP), complexed with Cu(II), and characterized by the FT-IR, ICP, XPS, XRD, BET, UV/Vis, EDX, SEM, SEM-mapping, TEM, and TGA-DTA techniques. The ICP, XPS, BET, and UV-vis techniques showed that the 1:4 molar ratio of Ce to Mn is the best, therefore it was used as a heterogeneous nanocatalyst for the green synthesis of fourteen spiro[acridine-indole]triones from the three-component condensation reaction of isatin, aniline, and 1,3-diketone in mild reaction conditions. The advantages of this method include the absence of harmful organic solvents, easy separation of the catalyst and products, and rapid achievement of excellent yields. Furthermore, the activity of the catalyst was maintained even after four consecutive runs without a significant loss of activity.

Electrophoretic-deposited Fe-doped TiO2 nanofilm via a one-pot, in-situ process with enhanced sonophotocatalytic performance in amoxicillin antibiotic removal

In this study, Fe-doped TiO2 nanofilm was fabricated using a solvothermal method and subsequently applied to the substrate via an electrophoretic deposition (EPD) technique without requiring a binding agent. The aim of this research is to enhance the sonophotocatalytic performance of TiO2 by integrating iron impurities into the catalyst structure, thereby addressing the limitation of the catalyst's inactivity under visible light and tackling the issue of catalyst separation for reuse. This method guarantees that the nanofilm is deposited uniformly and under regulated conditions on the substrate. X-ray diffraction (XRD), Scanning electron microscopy (SEM), Energy dispersive X-ray (EDX) analysis, Fourier transform infrared spectroscopy (FTIR), and UV-Vis techniques were employed to characterize the synthesized nanofilms. The findings indicate that the resulting nanofilms were responsive to visible light and exhibited high efficiency in the degradation of amoxicillin (AMX). The sonophotocatalytic process eliminated approximately 90% of the amoxicillin, while ultrasound alone could degrade 17% and visible light alone could degrade about 39%. It was calculated and noted that the combination of ultrasonic and visible light had a synergistic effect of roughly 70.7%. The most notable discovery was that the nanofilm could degrade 83% of AMX after four applications, demonstrating its reusability.

In-silico Studies, Synthesis, and Antacid Activities of Magnesium (II) Complexes.

Nowadays, acidity is a severe problem worldwide caused by excessive gastric acid secretion by the stomach and proximal intestine. Antacids are drugs capable of buffering stomach acid. Therefore, in our research work, we have reported the in-silico studies, synthesis, characterization, and evaluation of antacid activities of magnesium (II) complexes via the acid-base neutralization process. In this research, some magnesium complexes were synthesized and their antacid behavior was compared with marketed products. Also, in-silico studies were performed on H+/K+ ATPase (Proton pump). All synthesized compounds were characterized by various spectroscopic techniques like UV-Vis, FT-IR, XRD, and DSC techniques. Spectroscopic analysis results showed that the semicarbazone ligand shows keto-enol isomerism and forms a coordinated stable complex with magnesium ions in the crystalline phase. The FT-IR results confirmed the presence of Mg-O stretching, N-H bending, and C=N stretching vibrations in Mg (II) complexes. The antacid activities of Mg (II) complexes were excellent as compared to the semicarbazone ligand and comparable with that of marketed antacid drugs like ENO, and Pantop-D. Insilco studies also confirmed that semicarbazone ligand and its Mg (II) complexes were both found to be fitted into the active sites of molecular targets, and Mg (II) complexes showed better binding affinities towards macromolecular as compared to semicarbazone ligand.

Preparation, Characterization and Conductivity of SiO2 doped rGO-WO3 Composite for Battery Application

High-performance solid polymer electrolytes are regarded as one of the most promising materials to be used in the development of lithium ion batteries with improved extended life, increased recyclability and increased safety for electric vehicles and energy storage. In this work, a microwave-assisted hydrothermal technique was used to produce SiO2-doped rGO-WO3 composite, which possesses outstanding supercapacitor capabilities. This method is simple, low-cost method without using any other capping and reducing agents. The obtained SiO2 doped rGO-WO3 composite structural, morphology and components have been examined by XRD, FT-IR, FE-SEM, TEM, EDX, UV-visible techniques. It was found that the SiO2 doped rGO-WO3 composite well crystalline and the size range is about 20-30 nm. The SEM morphology results showed that the nanoparticles were stabilized by rGO, having cavity like structure and randomly distributed on the rGO-WO3 matrix. The solid state electrolyte revealed superior lithium ion transference number and cyclic stability. The SiO2 doped rGO-WO3 composite shows improved ionic conductivity of 2.74 × 10-5 S cm-1 at room temperature.

Hydrazide chemosensor detects fluoride ions cooperatively for binding fluoride and potassium ions

Chemosensors to detect ions have been increasingly studied to distinguish hazardous and economic species, and detecting and recuperating ions is crucial. Searching for a low-cost technique and better chemosensors, our group presents exciting results, using the UV–Vis technique to evidence the effective interaction between the ligand (1) and the anions F−, Ac−, and CrO42−, as well as the NMR titration. Low LOD for these ions (3.0 × 10–7–6.3 × 10−8 moldm−3) showed a high affinity for all the anions. A curious cooperative binding of fluoride and potassium to the ligand was observed for the first time, giving a high sensibility for ligand 1. Due to the high affinity of the ligand for these anionic species, binding strength, and low interference, the excellent applicability of the sensor’s potential for environmental problems becomes evident.

Synthesis, characterization, antiproliferative, antibacterial activity, RDG, ELF, LOL Molecular docking and physico chemical properties of novel benzodiazepine derivatives

Four new benzodiazepine derivatives of 2-(2-(ethyl(methyl)amino)benzo [b][1,4]thiazepin-4-yl)phenol (EMBT), (2-(4-ethylbenzo[b][1,4]thiazepin-2-yl)phenol (EBT), 2-(7-chloro-2-(ethyl(methyl)amino)benzo[b][1,4]thiazepin-4-yl)phenol (CEMBT) and 2-(7-chloro-4-ethylbenzo[b][1,4]thiazepin-2-yl)phenol) (CEBT) has been synthesized. The synthesized compounds were characterized by NMR, FT-IR, UV–Vis and ESI-mass spectrometric techniques. The synthesized compounds were evaluated the cytotoxic assay in vitro antiproliferative activity against MCF-7 and HepG2 cancer cells. Further, antibacterial and antifungal screening were used to investigate the biological profile of 1,4-benzodiazepine derivatives. Antibacterial and antifungal activities were carried out, with potent antifungal activity against a few species. The structural, electronic, and vibrational properties of EMBT, EBT, CEMBT, and CEBT have been examined computationally using the hybrid B3LYP method and the 6–311++G(d,p) basis set basis set. Furthermore, molecular docking was used to study the binding interactions of the synthesized compounds and the standard drug Tamoxifen with the hERalpha LBD target protein.

Antiproliferative Activity of Green Process Synthesized Epipremnum Aureum Silver Nanoparticles Against Breast Cancer Mcf-7 Cells

Breast cancer (BC) is one of the most severe cancers among women globally. Local recurrence of cancer after surgery is usually seen as a poor predictor of prognosis. Cancer treatment has been significantly transformed by the progress made in nanotechnology, and nanoparticles have emerged as pivotal components in this domain. Metal nanoparticles are produced using plant extract in green synthesis or eco-friendly techniques for the stabilizing and reducing substance. The current research study synthesizes silver nanoparticles (AgNPs) from Epipremnum aureum leaf extract using the green synthesis method and its evaluations using UV-Vis, FTIR, XRD, SEM, and EDX characterization techniques. The EA-AgNPs exhibit a significant absorption peak at wavelength 420 nm, which confirms the AgNP's presence by UV-visible spectrometer. FTIR spectrum reveals the strong band at 1586.020 cm-1 confirming the O-H group presence. The stretching and bending modes of vibration of the NO32- a sharp band represented molecule at 1382.987 cm-1 and a very tiny band at 1272.241, 1077.355 cm-1. The XRD spectrum exclusively showed Ag peaks, with no additional chemical contaminants, signifying the sample's purity, and the average particle size was 12.92 nm. MTT assay result observed high cytotoxic activity of EA-AgNPs against MCF-7 cells with IC50= 0.1106 µg/ml. This research study aims to preliminary investigate the in-vitro antiproliferative activity of green process synthesized Epipremnum Aureum silver nanoparticles (EA-AgNPs) against breast cancer cell line (MCF-7).

Fabrication of a novel Ag2S-ZnS/ZIF-8 hollow heterojunction by in-situ formation of Ag2S and ZnS on ZIF-8 with enhanced tetracycline degradation performance

Currently, antibiotics are extensively utilized in the pharmaceutical industry to assist humans and animals in combating various infectious diseases. The extensive use of various antibiotics enhances the quality of life. However, it can also have negative effects on the environment and human health, including water pollution and the rise of antibiotic-resistant microorganisms. To date, antibiotics have been detected in rivers, groundwater, and even drinking water. There is an urgent need to design and develop advanced materials for the remediation of antibiotics present in our environment. In this paper, we successfully synthesized a novel Ag2S-ZnS/ZIF-8 hollow heterojunction via facile sulphuration and solvothermal methods. This heterojunction was employed as a catalyst for the degradation of tetracycline (TC) in water under UV and visible light irradiation. The physicochemical properties of the as-synthesized catalysts were thoroughly analyzed using XRD, EDS, SEM, BET, XPS, TEM, ESR, UV–vis techniques. The results demonstrate that Ag2S-ZnS/ZIF-8 displays enhanced photocatalytic activity for TC degradation no matter under visible or UV light irradiation. After 10 min of UV light irradiation, its photocatalytic degradation efficiency was achieved 92.74 %. Additionally, Ag2S-ZnS/ZIF-8 was able to degrade 92.14 % of TC (visible light, with 35 min). The corresponding kinetic rate constant of Ag2S-ZnS/ZIF-8 is 0.145 min−1 (UV light) and 0.043 min−1 (visible light), respectively. Furthermore, Ag2S-ZnS/ZIF-8 also shown excellent stability for the degradation of TC in the presence of visible light. This is a result of its high specific surface area, superior photocurrent and efficient separation of photo-generated electrons-hole pairs. Apart from this, the photocatalytic degradation mechanism of TC over Ag2S-ZnS/ZIF-8 is discussed in detail.

Chemical Constituents and their Nanoemulsion Properties of Ethyl Acetate Crude Extract from Black Galingale Rhizome

Black galingale is a medicinal plant that has medicinal properties. The major constituents found in black galingale rhizomes are flavonoids, which display antioxidant activities. Therefore, in this research, the focus is to isolate and structurally determine bioactive compounds from the ethyl acetate extract of black galingale rhizomes and evaluate their antioxidant and antimicrobial activity, The black galingale rhizomes were extracted by maceration using ethyl acetate as a solvent. the compounds were isolated by column chromatography using hexane: ethyl acetate as an eluent solvent system. The isolated compounds were examined and characterized using FT-IR, UV-Vis, and NMR techniques, examined antioxidant activity by DPPH assay, and antimicrobial activity. From the extraction of ethyl acetate extract, it was found that 4 pure flavonoid compounds could be extracted. The FT-IR spectral data of 4 compounds showed a unique vibration corresponding to OH stretching, CH stretching, C=O stretching, C=C stretching of an aromatic ring, and C-O-C bond. Antioxidant activity testing by DPPH assay found 5-hydroxy-3,7-dimethoxyflavone (1) to have the highest antioxidant activity at 73.79% compared to the standard Trolox with 133.37±1.60 mM. Antimicrobial activity testing found that 3,5,7-trimethoxyflavone (3) showed the best growth inhibition activities against B. megaterium and S.aureus, Moreover, it studies the nanoemulsion properties of 5-hydroxy-3,7-dimethoxyflavone (1) was found stable with a nanoparticle size of 21.1 nm, a zeta potential of-49.7 mV, and has PDI of 0.227. Therefore, this research shows that the extract from black galingale rhizome could be used as an active ingredient in the cosmetics industry.

Effect of arsenic green synthesis nanoparticles on multi-drug resistant Acinetobacter baumannii

Multidrug-resistant strains of Acinetobacter baumannii are pathogenic agents of hospital infections, especially in the intensive care unit (ICU). The purpose of this study is to investigate the antibacterial effects and biosynthesis of arsenic nanoparticles (ARn) using pink rose petals on multi-drug resistant strains of A. baumannii. In this study, plant bioactive molecules present in rose petals are responsible for the synthesis of ARn. The characteristics of ARn were determined through FTIR, EDX, DLS, SEM, UV-Vis, and XRD techniques. In addition, the antibacterial activity of biosynthesized ARn was investigated against multi-drug resistant A. baumannii. The results of SEM revealed that the ARn were spherical with an average diameter of 75.71 nm. The results of XRD confirmed the crystal structure of arsenic oxide phase. The results of antibacterial effects exhibited that the lowest MIC of ARn was 800 μg/ml on the standard strain of A. baumannii and 800 μg/ml against clinical strains of multi-drug-resistant A. baumannii. The results of this study provided an new green synthesis method for ARn, which have a high potential on multi-drug-resistant A. baumannii. This study has the potential to pave the way for further research and developments in this field.

Spectroscopic techniques and chemometrics for ink analysis: Document analysis application

This study represents a methodology to determine the falsified documents via a combined method of spectroscopic techniques and chemometrics. The techniques of UV–Vis and FTIR-ATR spectroscopies and principal component analysis methods have been applied to black, blue, and red ballpoint pens available in the Türkiye market. The analysis results of the applied spectroscopic techniques were found to be consistent with each other for the examined eleven ink samples from three different brands, and it was observed that FTIR-ATR spectroscopy had higher discriminative power. A dried sample preparation technique developed for small amounts of samples for FTIR-ATR measurements and the increased the sensitivity of FTIR-ATR technique was associated with this sample preparation method. Statistical techniques showed that the UV–Vis technique proves useful outcomes in distinguishing inks according to their colors, whereas the FTIR-ATR technique is valuable for identifying ink brands. Additional analysis of the sub-brand of black inks and falsified old-dated check sample analysis validated that our methodology has the potential to classify and identify ballpoint inks in forensic applications. Due to the limited sample quantity available for analysis in real samples, only FTIR-ATR analysis was possible, and the results demonstrated that document forgery could be detected from small parts of samples in the document. When we look at the overall outcome of this study, a comprehensive methodology enriched with statistical calculations has been proposed that can be applied even in a laboratory with limited resources, having only UV–Vis and FTIR-ATR capabilities.

Vibrational spectroscopic interpretation, solvent effect and molecular docking studies of TAAR1 partial agonist RO5263397

Density functional theory studies of TAAR1 (trace amine associated receptor 1) partial agonist RO5263397 carried out with precise and detailed spectroscopic investigation as well as validated experimentally. FT-IR, confocal Raman and UV–visible spectroscopic techniques were used to characterize the compound and corresponding theoretical calculations were carried out using DFT/B3LYP method with 6-311++G (d,p) basis set. Estimated and observed vibrational wavenumbers of the compound were assigned. UV–visible spectrum and FMOs (frontier molecular orbital) analysis reveals that the polarity affects the molecular reactivity and stability of the compound. Donor – acceptor interaction and second order perturbation energy have been explained using natural bond orbital analysis clarify the presence hydrogen bonds in the system. ELF and LOL studies visualises the localized and delocalized electrons in the title compound. RDG analysis evidences the various interactions present in the monomer and dimer of RO5263397. The structural importance of the compound were clearly examined using NMR spectral analysis. The existence of hydrogen bonding is validated by reactive site findings from Mulliken atomic charge distribution and molecule electrostatic potential surface studies. Information about distinct drug-receptor interactions obtained from molecular docking investigation offers the path of further study of molecular activity in various drug-receptor mechanism.

Synthesis, Characterization and Antimicrobial Analysis of Nickel and Cobalt Complexes of Condensates of Salicylaldehyde and 2-Hydroxy Aniline

This study on the synthesis, characterization and antimicrobial analysis of Nickel and Cobalt complexes of condensates of salicylaldehyde and 2-hydroxy aniline constitutes an attempt towards the development of new molecular compounds that could destroy the barrier of resistance of pharmaceutical products. The ligands of 2-phenyliminomethylphenol (PMP) and 2,2-hydroxy benzylidene aminophenol (HAP) were first prepared by separately reacting Aniline with Salicylaldehyde on the one hand, and 2-aminophenol with Salicylaldehyde on the other hand. The unmixed metal complexes were prepared by reacting either of 0.29 mmol 2-phenylimino methyl phenol ligand with the metal salt or 0.29 mmol 2,2-hydroxybenzylideneaminophenol ligand with the metal salt while the mixed metal complexes were prepared by addition of equimolar amount of ligands of 2-phenyliminomethylphenol and 2,2-hydroxybenzylideneaminophenol into the metal salt. The molecular structures of the ligands and their complexes have been determined and characterized using GC-MS, FTIR, UV-Vis, 1H-NMR, and X-ray diffraction techniques. The melting point and solubility of the ligands and synthesized complexes were equally determined. Antimicrobial studies were carried out with ligands PMP and HAP and the metal complexes using clinical isolates of Gram Positive Bacteria (Staphylococcus aureus and Bacillus substilis), Gram Negative Bacteria (Escherichia coli and Pseudomonas aeruginosa) and Fungi (Candida albicans and Aspergillus niger). All complexes and ligands were found to be soluble in dimethylsulfoxide (DMSO). Asymmetric Octahedral geometry is observed for Nickel (II) and Cobalt (II) complexes with PMP, HAP, and the mixed ligands. A bidentate ligand is coordinated to metal ions through oxygen atoms of carbonyl groups and nitrogen atoms of two imine groups for Nickel (II) and Cobalt (II) complexes. The findings from the XRD pattern indicate that the ligand and metal complexes are crystalline with a high crystallite size of 119.23nm to 638.67nm. The FTIR spectra for 2-phenyliminomethylphenol (PMP) showed IR absorption band at 1569.2 cm-1 suggesting the stretching vibration of the C=C bond in the benzene rings, while the bands at 1613.9 cm-1 indicated the =C-N stretching in the benzene ring. The complexes showed electronic spectra which suggest that energy was absorbed in the ultraviolet/visible region, producing changes in the electronic energy of the compound and resulting from the transition of valence electrons in the complexes. The XRD findings reveal that the crystal formed by the ligands and their respective complexes are large. The ligands were found to be larger in size than the complexes and this could be due to the complexation reactions. The X-ray diffractograms of the metal complexes produced good intense peaks that suggest high crystallinity. The ligand of 2-phenyliminomethylphenol (PMP) and 2,2-hydroxy benzylidene aminophenol (HAP) showed partial inhibitory action on the clinical isolates of Gram Postive, Gram Negative and zero inhibitory effect on the fungi while the divalent metal complexes of both mixed and unmixed ligands exhibited either stronger or strongest inhibition. The study concludes that the synthesized ligands and their metal complexes are purely crystalline as revealed by the chemical analysis, exhibited inhibitory actions on Gram Positive, Gram Negative and fungi species.

Effective move of Polypyrrole/TiO2 hybrid nanocomposites on removal of methylene blue dye by photocatalytic activity

Polypyrrole (PPy) was synthesized effectively by chemical oxidative polymerization of pyrrole. Organic-inorganic hybrid materials PPy-TiO2 with different PPy weight percents were prepared by mechanical mixing, by using titanium oxide nanoparticles. The characterizations of PPy-TiO2 hybrid nanocomposites were analyzed by FTIR, UV–Vis, XRD, TGA & DSC and SEM & EDAX. Fourier transform infrared (FTIR) spectra and X-ray diffraction (XRD) were used to distinguish the structure of the attained PPy-TiO2 hybrid nanocomposites. UV–vis techniques are proved the polymerization of pyrrole monomer and the strong interaction between PPy and TiO2 nanoparticles. Thermogravimetric analyzer (TGA-DSC) curves revealed that TiO2 can decrease the weight loss of nanocomposite and increase the thermal stability of synthesized nanocomposites. The residual mass of the pure Pyy-36.51 %, PPy-TiO2 (25 %)-64.82 %, PPy-TiO2 (50 %)-60.82 %, PPy-TiO2 (75 %)-70.50 % and pure TiO2- 96.69 % nanocomposites at the residual temperature 497.80 °C. The morphology and molecular structure of the hybrid nanocomposite were characterized by scanning electron microscope & Energy dispersive X-ray analysis spectroscopy (SEM & EDAX). These characterization results confirmed the polymerization of pyrrole and the strong interaction between PPy and TiO2. The material with outstanding absorption capability that meet in optical application is the challenging way, thus the photocatalytic analysis of PPy-TiO2 hybrid nanocomposites is merely a admissible results. It is notably the favorable degradation efficiency of pure PPy, the PPy+TiO2 (25 % 50 % & 75 %) nanocomposites are 82 %, 66 %, 67 % and 53 % respectively.

Waste for Product-Synthesis and Electrocatalytic Properties of Palladium Nanopyramid Layer Enriched with PtNPs.

The presented research is the seed of a vision for the development of a waste-for-product strategy. Following this concept, various synthetic solutions containing low concentrations of platinum group metals were used to model their recovery and to produce catalysts. This is also the first report that shows the method for synthesis of a pyramid-like structure deposited on activated carbon composed of Pd and Pt. This unique structure was obtained from a mixture of highly diluted aqueous solutions containing both metals and chloride ions. The presence of functional groups on the carbon surface and experimental conditions allowed for: the adsorption of metal complexes, their reduction to metal atoms and enabled further hierarchical growth of the metal layer on the carbon surface. During experiments, spherical palladium and platinum nanoparticles were obtained. The addition of chloride ions to the solution promoted the hierarchical growth and formation of palladium nanopyramids, which were enriched with platinum nanoparticles. The obtained materials were characterized using UV-Vis, Raman, IR spectroscopy, TGA, SEM/EDS, and XRD techniques. Moreover, Pd@ROY, Pt@ROY, and Pd-Pt@ROY were tested as possible electrocatalysts for hydrogen evolution reactions.

Development of red to blue emissive fluorescent materials for cyanide ion sensing and single-component inks in digital printing application

The work designed and described here is for the effective recognition of cyanide ion. A novel core (PC) with coumarin moiety as a signaling unit and pyridinium as an acceptor unit and these moieties linked by π-conjugation. In which CN− ion binds in the pyridine ring via nucleophilic addition and produces changes that are captured by different techniques to prove its sensing efficiency. The probe displays a visual color variation to pale orange from purple and also exhibits blue fluorescence from red fluorescence upon cyanide addition. The probe PC sensing ability towards CN− ion has been confirmed by various spectral measurement. In UV–visible technique, a blue shift was observed by the probe with CN− ion. In fluorescence measurements, a peak appeared at 704 nm, which corresponds to the probe encountering a peak enhancement with the added cyanide ion. The binding stoichiometric ratio among the probe and CN− ion is to be 1:1 in jobs method. The probes detection limit and binding constant were calculated to be 0.39 nM and 7.07x104 M. The probe is used as a single component ink and injected into a cartridge and printed on paper which is used as a tool to detect cyanide in water. Besides, the probe successfully senses cyanide ion in various water samples.

Synthesis, spectral, Hirshfeld surface analysis, DFT, molecular docking and ADMET properties of (E)-4-fluoro-N'-(4‑hydroxy-3‑methoxy benzylidene)benzohydrazide (EFHMBH)

The synthesis, characterization, and theoretical studies of the E)-4-fluoro-N'-(4‑hydroxy-3-methoxybenzylidene)benzohydrazide (EFHMBH), have been reported in this study. The Single Crystal XRD, FT-IR, FT-Raman, and UV–Vis techniques were carried out to study the structural, and optical properties of the grown crystals. The molecular structure has been characterized by room-temperature single-crystal X-ray diffraction study which reveals that it has an angular shape with intramolecular and intermolecular hydrogen bonding. Crystal data for the title compound, C15H14FN2O4 (M = 305.28 g mol-1): monoclinic, space group P21/n, a = 8.0205 (6)Å, b = 17.0685 (13)Å, c = 10.9378 (9)Å, ß = 105.277 (3)°, V = 1452.9 (2) Å3, Z = 4, Dcalc = 1.396 Mg/m3, 21,326 reflections measured,4245 unique (Rint = 0.048) which were used in all calculations. The Hirshfeld surface analysis of the title compound shows that O…H/H…O(21.6 %), H…C/C…H(15.8 %), F…H/H…F(8.3 %), C…C(7.3 %) respectively, which exposed that the main intermolecular interactions. The geometrical optimization and the theoretical vibrational analysis are performed at B3LYP/6–31 ++ G(d,p) computational level under density functional theory (DFT) and correlated with experimental data. The HOMO-LUMO energy gap in the title compound is 4.0113 eV. The molecular electrostatic potential of the investigated compound has also been studied. The molecular docking analysis is performed against human HMG-CoA reductase-related target proteins, which shows better inhibitory activity of EFHMBH against the 1DQA receptor with the binding energy of -4.31 kcal/mol. Furthermore, to analysis, the physiochemical and pharmacokinetic features of EFHMBH are analyzed using the preADME online server.