Molecular modelling of 6-oxo-5-Sulfanyl-1H-Pyridine-3-Carboxylic acid and its adsorption with the silver complex: Structural, optical, charge transference, dynamics and docking to nipah virus.

This investigation employs DFT to evaluate the structural, molecular, and electronic feature variations of 6-oxo-5-sulfanyl-1H-pyridine-3-carboxylic acid in gas alongside various solvent media. The complex interactions occurring within the molecule are recognised using the Independent gradient model. The application of various electric fields are used to determine the electrical properties of the compound.

Two-step, high-yielding total synthesis of antibiotic pyrones.

A simple two-step dialkylation protocol was developed to synthesize biologically active antibiotics photopyrones, pseudopyronines, and violapyrones from bio-renewable triacetate lactone in excellent yields. These pyrones are functionally modified into another set of pyrone natural products by a single -methylation reaction. The high-yielding gram scale synthesis of four natural products [pseudopyronine A, photopyrone A, pseudopyronine B and photopyrone C] demonstrated the viability for industrial applications.

Structural, electronic, intermolecular interaction, reactivity, vibrational spectroscopy, charge transfer, Hirshfeld surface analysis, pharmacological and hydropathy plot on 5-Bromo nicotinic acid - Antiviral study (Hepatitis A, B, and C).

The therapeutic properties of 5-Bromonicotinatic acid (5BNA) were studied for antiviral illnesses like Hepatitis A, Hepatitis B and Hepatitis C and the influence of electron-donating and electron-withdrawing properties of functional groups on the nicotinic acid was evaluated and represented in this study using the DFT approach. The molecular parameters were determined for both gases as well as for various solvent phases. The reactive areas in the compound are examined utilising Fukui analysis.

Absorption wavelength (TD-DFT) and adsorption of metal chalcogen clusters with methyl nicotinate: Structural, electronic, IRI, SERS, pharmacological and antiviral studies (HIV and omicron).

The DFT B3LYP-LAND2DZ technique is used to examine interactions of Methyl nicotinate with copper selenide and zinc selenide clusters. The existence of reactive sites is determined using ESP maps and Fukui data. The energy variations between HOMO and LUMO are utilised to calculate various energy parameters.

A multi-institution prospective observational study of small bowel obstruction: Clinical and computerized tomography predictors of which patients may require early surgery.

Background: For patients with adhesive small bowel obstruction (ASBO), early surgery after a failed trial of nonoperative treatment can improve outcome. However, deciding which patients require early surgery is difficult, given the lack of specific clinical or radiographic signs. The study goals were to identify clinical and computed tomography (CT) predictors of which patients may need early surgery and to evaluate the utility of the common CT findings.

Strontium content and collagen-I coating of Magnesium-Zirconia-Strontium implants influence osteogenesis and bone resorption.

Objective: Our objective was to study the role of Collagen type-I (Col-I) coating on Magnesium-Zirconia (Mg-Zr) alloys, containing different quantities of Strontium (Sr), in enhancing the in vitro bioactivity and in vivo bone-forming and mineralisation properties of the implants.

Materials And Methods: MC3T3-E1 osteoblast cell line was used to analyse the in vitro properties of Col-I coated and uncoated alloys. Cell viability analysis was performed by MTT assay; cell attachment on alloy surfaces was studied by scanning electron microscopy (SEM); and gene profiling of bone-specific markers in cells plated on uncoated alloys was performed by Quantitative RT-PCR.

Zirconium, calcium, and strontium contents in magnesium based biodegradable alloys modulate the efficiency of implant-induced osseointegration.

Development of new biodegradable implants and devices is necessary to meet the increasing needs of regenerative orthopedic procedures. An important consideration while formulating new implant materials is that they should physicochemically and biologically mimic bone-like properties. In earlier studies, we have developed and characterized magnesium based biodegradable alloys, in particular magnesium-zirconium (Mg-Zr) alloys.

Differential interaction of peptides derived from C-terminal domain of human apolipoprotein E with platelet activating factor analogs.

Apolipoprotein-derived peptides are promising candidates for the treatment of various inflammatory conditions and the main mechanism proposed for the protective action of these peptides includes binding to pro-inflammatory lipid mediators with high affinity and facilitating their sequestration/metabolism/clearance in the body. Molecules that act as pro-inflammatory lipid mediators differ considerably in their molecular structures, chemical compositions and physicochemical properties. Importance of the properties of pro-inflammatory lipid mediators on the biological activity of apolipoprotein-derived peptides has not been studied in detail.

Mg-Zr-Sr alloys as biodegradable implant materials.

Novel Mg-Zr-Sr alloys have recently been developed for use as biodegradable implant materials. The Mg-Zr-Sr alloys were prepared by diluting Mg-Zr and Mg-Sr master alloys with pure Mg. The impact of Zr and Sr on the mechanical and biological properties has been thoroughly examined.

Neuroprotective effect of Spirulina in cerebral ischemia-reperfusion injury in rats.

Epidemiological studies indicate that the intake of Mediterranean-style diet is inversely associated with risk of stroke, cardiovascular diseases, and cancer. Spirulina is widely used nutritional supplement rich in proteins and antioxidants. Evidence demonstrates that the impaired energy metabolism and the excessive generation of reactive oxygen radicals contribute to the brain injury associated with cerebral ischemia.