A facile synthesis, characterization, DFT, ADMET and in-silico molecular docking analysis of novel 4-ethyl acridine-1,3,9 (2,4,10H)-trione

A novel synthetic reaction was employed to produce an acridine derivative of 4-ethyl acridine-1,3,9 (2,4,10H)-trione. The structural characterizations of the synthesized compound were confirmed through FT-IR, NMR 1H,13C, and GC-Mass spectral data. Furthermore, the DFT approaches were performed to the vibrational wavenumbers obtained through simulation with experimental wave numbers. The Vibrational Energy Distribution Analysis (VEDA) software is employed in FT-IR wave number for conducting potential energy decomposition (PED) analysis. DFT calculations were also applied to optimize the structural parameters and investigate Frontier molecular orbitals (FMOs), molecular electrostatic potentials, RDG studies, and global chemical reactivity descriptors, Natural bond orbital analysis and Non-linear optical properties were obtained for the title compound using the DFT method. Molecular docking studies were conducted to explore the binding mode mechanism of title compound and were evaluated for cancer-related proteins, specifically 4y72. Also, the synthesised compound was evaluated for Drug-likeness, and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties indicating favourable pharmacokinetic profiles with no observed signs of toxicity

Detection of Interleukin-6 Protein Using Graphene Field-Effect Transistor

Universal platforms to analyze biomolecules using sensor devices can address critical diagnostic challenges. Sensor devices like electrical-based field-effect transistors play an essential role in sensing biomolecules by charge probing. Graphene-based devices are more suitable for these applications. It has been previously reported that Graphene Field-Effect Transistor (GFET) devices detect DNA hybridization, pH sensors, and protein molecules. Graphene became a promising material for electrical-based field-effect transistor devices in sensing biomarkers, including biomolecules and proteins. In the last decade, FET devices have detected biomolecules such as DNA molecules, pH, glucose, and protein. These studies have suggested that the reference electrode is placed externally and measures the transfer characteristics. However, the external probing method damages the samples, requiring safety measurements and a substantial amount of time. To control this problem, the graphene field-effect transistor (GFET) device is fabricated with an inbuilt gate that acts as a reference electrode to measure the biomolecules. Herein, the monolayer graphene is exfoliated, and the GFET is designed with an in-built gate to detect the Interleukin-6 (IL-6) protein. IL-6 is a multifunctional cytokine which plays a significant role in immune regulation and metabolism. Additionally, IL-6 subsidizes a variability of disease states, including many types of cancer development, and metastasis, progression, and increased levels of IL-6 are associated with a higher risk of cancer and can also serve as a prognostic marker for cancer. Here, the protein is desiccated on the GFET device and measured, and Dirac point shifting in the transfer characteristics systematically evaluates the device’s performance. Our work yielded a conductive and electrical response with the IL-6 protein. This graphene-based transducer with an inbuilt gate gives a promising platform to enable low-cost, compact, facile, real-time, and sensitive amperometric sensors to detect IL-6. Targeting this pathway may help develop treatments for several other symptoms, such as neuromyelitis optica, uveitis, and, more recently, COVID-19 pneumonia

Templated synthesis of atomically thin platy hematite nanoparticles within a layered silicate exhibiting efficient photocatalytic activity

Since iron oxides show poor photocatalytic activity, tremendous effort has been directed toward synthesizing iron oxide-based photocatalysts modified with other materials such as co-catalysts. Herein we report the synthesis of atomically thin plate-shaped hematite (α-FeO) nanoparticles in the two-dimensional interlayer nanospace of a layered silicate. The supported hematite showed considerably higher photocatalytic activity for the oxidative decomposition of formic acid and the partial oxidation of cyclohexane than conventional hematite and TiO. The supported photocatalyst also showed excellent stability for the reaction

Synthesis of Metastable Au-Fe Alloy Using Ordered Nanoporous Silica as a Hard Template

Nanoporous Au-Fe alloy was synthesized via a wet chemistry route using ordered nanoporous silica as a hard template. The nanoporous Au-Fe consisted of aligned arrays of nanopores that were uniform in composition and ordered in hexagonal lattice, whereas Au-Fe nanoparticles synthesized without templates exhibited broad dispersions in the chemical composition and/or particle size. Nanoporous Au-Fe has potential for applications as catalysts and/or adsorbents because of the large specific surface area of 81.2 m2·g−1 and high pore volume of 0.56 cm3·g−1

Simplified detection of the hybridized DNA using a graphene field effect transistor

<p>Detection of disease-related gene expression by DNA hybridization is a useful diagnostic method. In this study a monolayer graphene field effect transistor (GFET) was fabricated for the detection of a particular single-stranded DNA (target DNA). The probe DNA, which is a single-stranded DNA with a complementary nucleotide sequence, was directly immobilized onto the graphene surface without any linker. The V_Dirac was shifted to the negative direction in the probe DNA immobilization. A further shift of V_Dirac in the negative direction was observed when the target DNA was applied to GFET, but no shift was observed upon the application of non-complementary mismatched DNA. Direct immobilization of double-stranded DNA onto the graphene surface also shifted the V_Dirac in the negative direction to the same extent as that of the shift induced by the immobilization of probe DNA and following target DNA application. These results suggest that the further shift of V_Dirac after application of the target DNA to the GFET was caused by the hybridization between the probe DNA and target DNA.</p

Superconductivity and morphological studies on Bi<SUB>2</SUB>Sr<SUB>2</SUB>CaCu<SUB>2</SUB>O<SUB>8</SUB> single crystals grown from stoichiometric and nonstoichiometric melts

Single crystals of Bi2Sr2CaCu2O8 (2212) have been grown by self-flux technique using stoichiometric and non-stoichiometric melts of excess CuO and Bi2O3. Single-crystal and powder X-ray diffraction studies have been made on the grown crystals to confirm their single crystallinity and structure respectively. Resistivity and susceptibility measurements provide information on the superconducting nature of the crystals. The effects of fluxing agents and starting composition on surface morphology and superconducting properties have been discussed