Systems biology approach: identification of hub genes, signaling pathways, and molecular docking of COL1A1 gene in cervical insufficiency.

The collagen type I alpha 1 (COL1A1, OMIM #120,150) gene, encoding the alpha-1 chain of type I collagen (UniProt #P02452), plays a key role in life-homeostasis due to its remarkable involvement in collagen synthesis. It is a promising candidate gene implicated in the pathogenesis of cervical insufficiency (CI). This study aimed to identify genetic variations within the COL1A1 gene that contribute to the development of CI. Polymerase chain reaction (PCR) and amplicon sequencing were implemented for single nucleotide polymorphisms (SNPs) detection (+ 1245G/T, SP1 rs1800012), which revealed wild-type sequence for targeted SNPs in enrolled proband indicated negative results regarding COL1A1 gene involvement for current form of CI. It allows further investigation of other closely connected genes probed in this study. Computational approaches viz. Protein-protein interaction (PPI), gene ontology (GO), and pathway participation were used to identify the crucial hub genes and signaling pathways for COL1A1 and CI. Using the Yet Another Scientific Artificial Reality Application (YASARA) software, molecular docking, and molecular dynamic (MD) simulation with the oxytocin (CID 439,302), estradiol (CID 129,728,744), progesterone (CID 5994) and hydroxyprogesterone (CID 150,788) were done. Interactive bioinformatics analysis demonstrated that the COL1A1 and more than 10 collagen sister genes had a strong connection with CI. In sum, the findings of this study provide insights into a modus operandi that can be utilized to illuminate the path toward studying sister genes and smooth diagnosis of CI. These findings have implications for understanding the foundational process of the condition and potentially developing screening, diagnostic, and therapeutic interventions.

A Highly Selective Pyrene Appended Oxacalixarene Receptor for MNA and 4-NP Detection: an Experimental and Computational Study.

A novel pyrene-substituted oxacalixarene was designed and synthesized as a selective probe for the simultaneous detection of MNA and 4-NP. Utilizing 1H-NMR, 13C-NMR, and FT-IR analysis techniques, its structure was characterized. The binding property of BPOC to a variety of NACs, including 1,3-DNB, 2,3-DNT, 2,4-DNT, 2,6-DNT, 4-NP, 4-NT, and PA, revealed that the sensor binds to MNA and 4-NP with remarkable selectivity. Binding constant reveals lower detection limits of MNA is 0.2 µM and 0.3 µM for 4-NP. Using docking and density functional theory (DFT), computational insights were provided for investigating the stability and spectroscopic analysis of the inclusion complex. From molecular docking study, we observed the best docking score of BPOC with 4-NT and MNA complex. The calculations supplement the findings significantly and clarify the structural geometry and mode of interactions in supramolecular complexation. In an MTT experiment on human PBMC to check for cytotoxicity, this chemical was found to influence 1 × 105 cell viability dose-dependently.

Gold nanoparticles synthesis using Gymnosporia montana L. and its biological profile: a pioneer report.

BACKGROUND: The forming, blending, and characterization of materials at a size of one billionth of a meter or less is referred to as nanotechnology. The objective of the current study was to synthesize ecologically friendly gold nanoparticles (AuNPs) from Gymnosporia montana L. (G. montana) leaf extract, characterize them, assess their interaction with different types of deoxyribonucleic acid (DNA), and investigate their antioxidant and toxic capabilities. RESULTS: The biosynthesized AuNPs presence was validated by a color change from yellow to reddish pink as well as using UV-visible spectrophotometer. Fourier transform infrared (FTIR) spectroscopy analysis showed the presence of phytoconstituents like, alcohols, phenols, and nitro compounds responsible for the reduction of AuNPs. Zeta sizer and zeta potential of 559.6 d. nm and - 4.5 mV, respectively, demonstrated potential stability. With an average size between 10 and 50 nm, X-ray diffraction (XRD), and high-resolution transmission electron microscope (HR-TEM), revealed the crystalline formation of AuNPs. Surface topology with 3D characterization, irregular spherical shape, and size with 6.48 nm of AuNPs was determined with the help of an atomic force microscope (AFM). AuNPs with some irregular and spherical shapes, and sizes between 2 and 20 nm, were revealed by field emission scanning electron microscope (FESEM) investigation. Shifts in the spectrum were visible when the bioavailability of AuNPs with calf-thymus DNA (CT-DNA) and Herring sperm DNA (HS-DNA) was tested. Additionally, the DNA nicking assay's interaction with pBR322 DNA confirmed its physiochemical and antioxidant properties. The same was also found by using a 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, which showed a 70-80% inhibition rate. Finally, 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) assay revealed that viability decreased with increasing dosage, going from 77.74 to 46.99% on MCF-7 cell line. CONCLUSION: Synthesizing AuNPs through biogenic processes and adopting G. montana for the first time revealed potential DNA interaction, antioxidant, and cytotoxicity capabilities. Thus, opening new possibilities in the turf of therapeutics as well as in other areas.

Light-cured calcium hydroxide cements release of calcium ions using argon based induction coupled mass spectroscopy - an in vitro study.

Calcium ion-releasing ability of different calcium hydroxide-based pulp capping materials was comparatively evaluated in this study. Different brands of cements were taken from different manufacturers and categorized into three groups. Three different brands of Ca(OH)2 cements (Dycal, TheraCal, and Cal LC) were taken prepared by mixing and curing the cements as per the manufacturer's instructions. Consequently, ion release was measured after 7, 14, and 21 days by argon-based induction coupled plasma mass spectroscopy test. Within the limitations of this study, light-cured Ca(OH)2 cements released a higher amount of calcium ions compared with self-cured Ca(OH)2 cements. Theracal was found to be the highest light-cured calcium ion releasing materials throughout the period of 21 days. In conclusion, further clinical studies are warranted to substantiate the findings of this study.

Effect of different burs on the topography of smear layer formation on the dentinal surface: a scanning electron microscope study.

Whenever a hand or a rotary instrument is used to eliminate tooth tissue, the mineralized matrix shatters rather then being uniformly sheared, producing considerably quantities of cutting debris. Much of the debris made up of very small particles of mineralized collagen matrix over the surface of dentin is known as smear layer. The clinical outcome of dental restorations is dependent upon the surface preparations, smear layer formation and hybrid layer which which provides a stable adhesion. Different surface morphology is produced by use of different burs. The thickness of the smear layer is affected by various factors as type of the bur, use of water spray and speed of rotation. Bonding is enhanced when smear layer is completely removed or modifed. The purpose of this in vitro study is to evaluate the effect of different burs on the topography of the smear layer formation and thickness on dentinal surface.