Effect of Early pregnancy associated protein-1 on Spike protein and ACE2 interactions: Implications in SARS Cov-2 vertical transmission.

Introduction: Several factors influence transmission of 2019-nCoV from mother to fetus during pregnancy, thus the dynamics of vertical transmission is unclear. The role of cellular protective factors, namely a 90 KDa glycoprotein, Early pregnancy-associated protein (Epap-1), expressed by placental endothelial cells in women during early pregnancy would provide an insight into role of placental factors in virus transmission. Since viral spike protein binding to the ACE2 receptors of the host cells promotes virus invasion in placental tissue, an analysis of effects of Epap-1 on the Spike-ACE2 protein binding was studied.

Bacoside-A Improves Antioxidant Enzymes and Alleviates Oxidative Stress Coexist with Markers of Renal Function in a Rat Model of Type 2 Diabetes Mellitus.

Oxidative stress, imbalanced antioxidants, and dysregulated renal lipids are closely linked with diabetic nephropathy and eventual cause of end-stage renal failure. This study was performed to investigate the protective effect of bacoside-A on markers of lipid peroxidation, renal lipids, and markers of renal function in diabetic rats. Experimental diabetes was induced in Wistar rats by a single dose of streptozotocin [40 mg/kg body weight (BW)] via intraperitoneal injection.

Efficacy of Ozone, UV Radiation, Herbal and Glutaraldehyde Method for Sterilisation of Elastomeric Impression Materials for Orthodontic and Prosthodontic procedures.

Objectives: The objectives of the current study was to evaluate the disinfection efficacy of ozone, ultraviolet (UV) radiation, herbal and glutaraldehyde method for sterilization of elastomeric impression materials.

Materials And Methods: Disinfection of elastomeric impression material was performed with each of the disinfection methods: ozone, UV radiation, herbal, and glutaraldehyde. Later microbiological analysis was performed and the colony-forming units were evaluated and compared.

An Evaluation of Retention Force of All PEEK, All Zirconia and Zirconia-PEEK Telescopic Attachment for Mandibular Overdentures.

The objective of this study is to compare retention capacity of mandibular implant-supported overdenture with all zirconia, zirconia-PEEK, and all PEEK telescopic attachments. Sixty acrylic resin models of mandible were used. Telescopic attachment system was made up of all zirconia, all PEEK, and zirconia-PEEK.

Evaluation of stress and deformation in bone with titanium, CFR-PEEK and zirconia ceramic implants by finite element analysis.

Background: As more recent implant biomaterials, Zirconia ceramic and glass or carbon fibre reinforced PEEK composites have been introduced. In this study, bone stress and deformation caused by titanium, carbon fiber-reinforced polyetheretherketone (CFRPEEK), and zirconia ceramic implants were compared.

Materials And Methods: In this finite element analysis study, a geometric model of mandibular molar replaced with implant supported crown was generated.

Concentration-dependent mode of binding of drug oxatomide with DNA: multi-spectroscopic, voltammetric and metadynamics simulation analysis.

The interaction between antihistaminic drug oxatomide () and calf-thymus DNA (CT-DNA) has been investigated in a physiological buffer (pH 7.4) using UV-Vis, fluorescence, H NMR and circular dichroism spectral techniques coupled with viscosity measurements, KI quenching, voltammetry and molecular modeling studies. binds with CT-DNA in a concentration-dependent manner.

Spectroscopic Studies on the Interaction of Naphthyridines with DNA and Fluorescent Detection of DNA in Agarose Gel.

Four new naphthyridine derivatives (R1-R4) possessing amino acid or boronic acid moieties have been synthesized and characterized using H and C NMR, FT-IR, and mass spectral techniques. The mechanism of binding of these probes with calf thymus DNA (CT-DNA) has been delineated through UV-Vis, fluorescence, and circular dichroism (CD) spectral techniques along with thermodynamic and molecular docking studies. Small hypochromicity in absorption maximum of the probes without any shift in wavelength of absorption suggests groove binding mode of interaction of these probes with CT-DNA, confirmed by CD and 1H NMR spectral data competitive binding assay with ethidium bromide (EB).

Multi-site probe for selective turn-on fluorescent detection of Al(III) in aqueous solution: synthesis, cation binding, mode of coordination, logic gate and cell imaging.

An easy to make organic probe (hereafter called as R) possessing multiple ligating sites have been synthesized and characterized using spectral techniques. The probe exhibits selective and sensitive turn-on fluorescence response with Al(III) in aqueous dimethylformamide (DMF) (1:1 v/v) solution. Fluorescence titration experiment shows that the probe binds with Al(III) with a 1:1 stoichiometry and a binding constant of 6.

Multi-spectroscopic, voltammetric and molecular docking studies on binding of anti-diabetic drug rosigiltazone with DNA.

The binding of an anti-diabetic drug rosiglitazone (RG) with calf-thymus DNA (CT-DNA) in physiological buffer (pH 7.4) has been investigated using various spectral techniques such as UV-Vis, fluorescence, H NMR and circular dichroism (CD) coupled with viscosity measurement and molecular docking studies. The binding of RG with CT-DNA results in small hypochromism without any change in absorption maximum and fluorescence quenching with hardly any shifts in emission maximum suggesting groove binding mode of interaction.

Spectroscopic investigations on DNA binding profile of two new naphthyridine carboxamides and their application as turn-on fluorescent DNA staining probes.

Two new 10-methoxydibenzo[b,h][1,6]naphthyridine-2-carboxamide derivatives ( and ) have been synthesized and characterized using different spectral techniques. The binding of these probes with DNA was investigated using spectral (Electronic, fluorescence, H NMR and circular dichroism) and molecular docking studies. These probes exhibited a strong fluorescence around 440 nm upon excitation around 380 nm.

Highly selective turn-on fluorescent probe for detection of cyanide in water and food materials.

A naphthoquinone-imine based fluorescent probe (R) has been synthesized and characterized by NMR and mass spectral techniques. The receptor shows high selectivity towards cyanide in water in the presence of other competitive anions with an instantaneous colour change from non-emissive to green under UV light. The turn-on fluorescence is due to deprotonation of three hydroxyl groups by cyanide ions as evidenced from H NMR titration experiment.

Oligoamnios and Perinatal Outcome.

Objectives: We aimed at evaluating the predictive value of amniotic fluid index ≤5 on perinatal outcome in terms of effect on cardiotocography, mode of delivery, meconium in liquor, birth weight, fetal distress, APGAR score at birth and neonatal admission to ICU.

Methods: This is a prospective study of 308 antenatal women admitted to labor ward of MIMS during February 2014-December 2015 with gestational ages between 34 and 41 weeks. All women enrolled were subjected to history taking, examination, AFI estimation and compared between those with AFI ≤5 from rest.

Application of Various Statistical Models to Explore Gene-Gene Interactions in Folate, Xenobiotic, Toll-Like Receptor and STAT4 Pathways that Modulate Susceptibility to Systemic Lupus Erythematosus.

Introduction: In view of our previous studies showing an independent association of genetic polymorphisms in folate, xenobiotic, and toll-like receptor (TLR) pathways with the risk for systemic lupus erythematosus (SLE), we have developed three statistical models to delineate complex gene-gene interactions between folate, xenobiotic, TLR, and signal transducer and activator of transcription 4 (STAT4) signaling pathways in association with the molecular pathophysiology of SLE.

Methods: We developed additive, multifactor dimensionality reduction (MDR), and artificial neural network (ANN) models.

Results: The additive model, although the simplest, suggested a moderate predictability of 30 polymorphisms of these four pathways (area under the curve [AUC] 0.

NBO, HOMO, LUMO analysis and vibrational spectra (FTIR and FT Raman) of 1-Amino 4-methylpiperazine using ab initio HF and DFT methods.

Experimental FTIR and FT-Raman spectroscopic analysis of 1-Amino-4-methylpiperazine (1A4MP) have been performed. A detailed quantum chemical calculations have been carried out using ab initio HF and density functional theory calculations (B3LYP) with 6-311+G(d,p) basis set. The atomic charges, electronic exchange interaction and charge delocalization of the molecule have been performed by natural bond orbital (NBO) analysis.

Molecular structure, vibrational spectra (FTIR and FT Raman) and natural bond orbital analysis of 4-Aminomethylpiperidine: DFT study.

The FT-IR and FT-Raman spectra of 4-Aminomethylpiperidine have been recorded using Perkin Elmer Spectrophotometer and Nexus 670 spectrophotometer. The equilibrium geometrical parameters, various bonding features, the vibrational wavenumbers, the infrared intensities and the Raman scattering activities were calculated using Hartree-Fock and density functional method (B3LYP) with 6-311+G(d,p) basis set. Detailed interpretations of the vibrational spectra have been carried out with the aid of the normal coordinate analysis.

FT-IR and FT-Raman spectra, normal coordinate analysis and ab initio computations of Trimesic acid.

The FT-IR and FT-Raman spectra have been recorded of Trimesic acid (1,3,5-benzenetricarboxylic acid, H3BTC). The molecular structure, conformational stability, geometry optimization, vibrational frequencies have been investigated. The total energy calculations of H3BTC were tried for various possible conformers.

FT-IR, FT-Raman and DFT study of 3,3'-bis (trifluoromethyl) benzophenone and its biological activity with other halogen (Cl, Br) atoms.

The FT-IR and FT-Raman spectra of 3,3'-bis (trifluoromethyl) benzophenone (TFMBP) were recorded and analyzed. Natural bond orbital analysis on TFMBP, 3,3'-bis (trichloromethyl) benzophenone (TCMBP) and 3,3'-bis (tribromomethyl) benzophenone (TBMBP) has been carried out for various intramolecular interactions that are responsible for the stabilization of the molecule. HOMO-LUMO energy gap of the halogen substitution (Cl, Br) has been computed with the help of density functional theory.

DFT, FT-Raman, FT-IR, HOMO-LUMO and NBO studies of 4-Methylmorpholine.

The experimental FT-IR (4000-400 cm(-1)) and FT-Raman (3500-100 cm(-1)) spectra of 4-Methylmorpholine were recorded. The observed bands were interpreted with the aid of normal coordinate analysis and force field calculations based on density functional theory (DFT) using B3LYP functional theory (DFT) using B3LYP functional with 6-311+G and 6-3++G basis sets. The complete assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes, calculated with scaled quantum mechanical (SQM) method.