Hypothetical confirmation for the anti-bacterial compound potassium succinate-succinic acid in comparison with certain succinate derivatives.

The development of antibacterial medications has recently been promoted due to the non- effective usage of antibiotics and the rise in severe bacterial infections. The effectiveness of antimicrobial therapy alternatives is constrained due to the prevalence of germs that are resistant to medications. Our current study's goal is to favor metallic compounds for antibiotic delivery in order to increase the effectiveness of the antibacterial regimen. Due to its bioactivity, potassium succinate-succinic acid is preferred because in general, the succinic acid compound has the greatest potential against microbial infections and a natural antibiotic because of its relative acidic nature. In the current study, the molecular geometry, band gap energies, molecular electrostatic interactions and potential energy distribution of the molecule were compared with those of certain succinate derivatives. The potential compound potassium succinate succinic acid was probed using FT-IR and FT-Raman analyses. Vibrational assignments pertaining to different modes of vibration with potential energy distribution have been improved by normal coordinate analysis. The chemical bond stability which is largely important for biological activity is studied using NBO analysis. The molecular docking study suggests that the molecule possesses antibacterial action and displays a minimal binding energy of -5.3 kcal/mol which can be endorsed for the prevention of any bacterial illness. From the results of our studies, the material would be stable and bioactive according to the FMO study, which indicates a band gap value of 4.35 eV and the pharmacokinetic features of the molecule, was predicted using the ADMET factors and the drug-likeness test.Communicated by Ramaswamy H. Sarma.

Optical Coherence Tomography Angiography Parameters in Indian Patients With Central Serous Chorioretinopathy.

Background In this study, we aimed to evaluate optical coherence tomography angiography (OCTA) parameters among Indian patients affected with central serous chorioretinopathy (CSCR). Methodology A cross-sectional study on Indian patients having unilateral or bilateral affection with CSCR was conducted at the Department of Ophthalmology, Guru Nanak Eye Centre, and Maulana Azad Medical College, New Delhi. A history of ocular symptoms such as a diminution of vision, metamorphopsia, decreased contrast sensitivity (CS), and defective color vision (CV) and their duration were obtained. A detailed ocular examination for best-corrected visual acuity (BCVA), intraocular pressure (IOP), CV, and CS was done. Following this, fundus fluorescein angiography (FFA) and indocyanine green angiography (ICGA) were performed. OCT was done for central foveal thickness (CFT), subfoveal choroidal thickness (SFCT), neurosensory detachment (NSD), pigment epithelial detachment (PED), and choroidal neovascular membranes (CNVMs). The OCTA imaging was done to examine the foveal avascular zone (FAZ) size, perimeter and circularity, vessel density (VD), and features such as enlarged/distorted FAZ, dark areas, dark spots, abnormal vessels, and choriocapillaris island (CCI) in the retino-choroidal layers. We compared the OCTA features of affected eyes with those of fellow eyes. Results The study involved 52 eyes of 40 CSCR patients, including 32 (80%) males and eight (20%) females with a mean age of 39.3 ± 6.1 (24-49) years. Of the 40 patients, 12 (30%) had a bilateral involvement. The mean CFT was 300.3 ± 158.4 µ, and the SFCT was 258.5 ± 60.4 µ. The mean distance BCVA was the logarithm of the minimum angle of resolution (logMAR) 0.58 ± 0.32. The OCTA showed features such as enlarged/distorted FAZ (36.53% eyes), dark areas (NSD/PED) (84.61% eyes), dark spots (PED) (5.76% eyes), abnormal vessels (dilated vessels/CNVM) (96.15% eyes), and CCI (17.30% eyes). The mean FAZ area, perimeter, and circularity were 0.40 ± 0.71 mm2, 41.8 ± 280.0 mm, and 0.48 ± 0.12, respectively. The VD in the superficial capillary plexus (SCP) was 25.4 ± 14.1, deep capillary plexus (DCP) 15.0 ± 11.5, outer retina (OR) 5.9 ± 6.8, outer retinal choriocapillaris (ORCC) 33.7 ± 16.9, choriocapillaris 29.7 ± 17.5, and choroid 29.9 ± 17.5. The fellow eyes showed a mean FAZ area, perimeter, and circularity of 0.34 ± 0.23 mm2, 76.8 ± 391.2 mm, and 0.47 ± 0.11, respectively, while VD of SCP was 25.9 ± 13.6, DCP 16.5 ± 11.7, OR 14.3 ± 14.9, ORCC 38.0 ± 16.5, choriocapillaris 36.3 ± 17.7, and choroid 35.5 ± 19.2. Conclusions The CSCR eyes had a thicker fovea and sub-foveal choroid (SFC). The FAZ area of affected eyes was larger, while the perimeter was smaller than that in the fellow eye. In the affected eye, the VD in all the retino-choroidal layers was lower, although it was significantly reduced in OR whole (p = 0.006) and foveal choroid (p = 0.022).

Role of microRNA, bta-miR-375 in Immune Sturdiness of Vechur: The Native Cattle Breed of Kerala, India.

In the present study, next generation sequencing was employed to identify and explore the differential expression profiles of microRNAs (miRNAs) in peripheral blood mononuclear cells (PBMCs) of crossbred (B. taurus x B. indicus) and Vechur (B. indicus) cattle in response to the bacterial endotoxin-lipopolysaccharide (LPS). The PBMCs from adult apparently healthy female crossbred cows and Vechur cattle, a native cattle breed of Kerala, India were stimulated with 10 µg/mL of LPS for 6 h. Among the differentially expressed miRNAs, the expression of 13 miRNAs showed statistically significant up regulation while, significant decrease in the expression of 15 miRNAs was noticed in LPS treated PBMCs of Vechur cattle compared to crossbred cows. The expression profiling of miRNA, bta-miR-375, expression of which was found to be significantly down regulated in LPS treated PBMCs of Vechur cattle with respect to crossbred cattle by the NGS studies, is presented in the present manuscript. The decrease in expression of bta-miR-375 noticed by NGS was in accordance with the results of quantitative real time PCR assay. Functional gene enrichment analysis and pathway analysis revealed significant enrichment of predicted targets of bta-miR-375 in many immune related and cell signalling mechanisms. In addition, over representation of targets of bta-miR-375 was also noticed in pathogenesis of many of the bovine diseases. The study could also identify differences in the expression of cytokines, viz. Tumour Necrosis Factor Alpha (TNFα), Interleukin 4 (IL-4) and Interferon-γ (IFNγ) between LPS treated and untreated PBMCs of crossbred and Vechur cattle.

Study on Transcriptional Responses and Identification of Ribosomal Protein Genes for Potential Resistance against Brown Planthopper and Gall Midge Pests in Rice.

BACKGROUND: Our previous studies have revealed the roles of ribosomal protein (RP) genes in the abiotic stress responses of rice. METHODS: In the current investigation, we examine the possible involvement of these genes in insect stress responses. We have characterized the RP genes that included both Ribosomal Protein Large (RPL) and Ribosomal Protein Small (RPS) subunit genes in response to infestation by two economically important insect pests, the brown planthopper (BPH) and the Asian rice gall midge (GM) in rice. Differential transcript patterns of seventy selected RP genes were studied in a susceptible and a resistant genotype of indica rice: BPT5204 and RPNF05, respectively. An in silico analyses of the upstream regions of these genes also revealed the presence of cis-elements that are associated with wound signaling. RESULTS: We identified the genes that were up or downregulated in either one of the genotypes, or both of them after pest infestation. The transcript patterns of a majority of the genes were found to be temporally-regulated by both the pests. In the resistant RPNF05, BPH infestation activated RPL15, L51 and RPS5a genes while GM infestation induced RPL15, L18a, L22, L36.2, L38, RPS5, S9.2 and S25a at a certain point of time. These genes that were particularly upregulated in the resistant genotype, RPNF05, but not in BPT5204 suggest their potential involvement in plant resistance against either of the two pests studied. CONCLUSION: Taken together, RPL15, L51, L18a, RPS5, S5a, S9.2, and S25a appear to be the genes with possible roles in insect resistance in rice.

Influence of freeze-drying and fresh cooking on starch morphology and physicochemical and thermal properties of various tropical tubers.

Flours and starches extracted from the tropical tubers underwent freeze-drying and cooking in comparison with fresh cooking. Freeze-dried and cooked starch (FDS) granules were found to have different shapes and collapsed arrangement whereas freshly cooked starch (FCS) granules had the least varied structures. The freeze-dried flours had larger structures compared to freshly cooked flours. The physicochemical parameters were high in Dioscorea esculenta (DE)-FDS, followed by Amorphophallus paeoniifolius (AP)-FDS and other samples whereas D. alata (DA)-FCS had the lowest, whereas flours followed similar trend. FDS (42.1%) had the highest solubility index and swelling power whereas FCS (11.1%) showed the lowest. The syneresis and light transmittance levels were higher in FDS and FDF. The freeze dried flour and starch showed higher onset (T0), peak (TP), and conclusion (TC) temperature than fresh cooked samples. The variations in IR spectra, thermal properties, and crystalline index were termed as differential function of physicochemical characteristics, structural changes that resulted from freeze drying, and cooking treatment employed.

Tuning the Computational Evaluation of Spectroscopic, ELF, LOL, NCI analysis and Molecular Docking of Novel Anti COVID-19 Molecule 4-Dimethylamino Pyridinium 3, 5-Dichlorosalicylate.

In this work novel antiviral compound 4-(Dimethylamino) Pyridinium 3, 5-dichlorosalicylate was synthesized and characterized by UV-vis, FT-IR, FT-Raman, 1H NMR and 13C NMR spectra. Quantum chemical computations were carried out by Density functional theory methods at B3LYP level. Electronic stability of the compound arising from hyper conjugative interactions and charge delocalization is investigated using natural bond orbital analysis. Assignments of vibrational spectra have been carried out with the aid of Normal coordinate analysis following the SQMFF methodology. TD-DFT approach was applied to assign the electronic transition observed in UV visible spectrum measured experimentally. Frontier molecular orbital energy gap affirms the bioactivity of the molecule and NCI analysis gives information about inter and intra non covalent interactions. ESP recognises the nucleophilic and electrophilic regions of molecule and the chemical implication of molecule was explained using ELF, LOL. The reactive sites of the compound were studied from the Fukui function calculations and chemical descriptors define the reactivity of the molecule. Molecular docking done with SARS and MERS proteins endorses the bioactivity of molecule and drug likeness factors were calculated to comprehend the biological assets of DADS.

Synthesis and DFT computations on structural, electronic and vibrational spectra, RDG analysis and molecular docking of novel Anti COVID-19 molecule 3, 5 Dimethyl Pyrazolium 3, 5 Dichloro Salicylate.

Prospective Anti-viral compound 3, 5 Dimethyl Pyrazolium 3, 5 Dichloro Salicylate (DPDS) was synthesized and characterized using FT-IR, FT-Raman, UV and NMR spectra. To escort the experimental results, computational methods were performed using B3LYP with 6-311G (d, p) basis set expending Gaussian09w package to attain geometry of the molecule. Vibrational assignments for all the vibrational modes have been made of PED results obtained from SQM method. On contrary, FMO analysis, global chemical reactivity descriptors, Aromaticity and Natural charge analysis were studied. Molecular stability and bond strength have been inquired by executing NBO analysis. Topological features of DPDS were intended by MEP, ELF and LOL maps. UV-vis spectrum was predicted by TD-DFT method in gaseous phase and compared with the experimental spectrum for displaying the involved electronic transitions in the compound. The interactions within the DPDS molecule were investigated via RDG analysis. Molecular docking was performed with SARS-CoV-2 proteins and docking parameters were obtained. Drug likeness was carried out based on Lipinski's rule of five and the ADMET factors were also predicted.

Characterization of natural cellulosic fiber extracted from Grewia damine flowering plant's stem.

Grewia damine is a flowering plant found in India and Sri Lanka. The fiber taken out from the stem bark of G. damine is found to be novel and selected for characterization study. The G. damine stem bark fiber (GDSF) has rich in cellulose contents (57.78 ± 3.56%). Its lower density (1.378 ± 0.036 g/cm3) makes it fit for use in lightweight applications. The weight percentage values of the chemical constituents confirm the use of GDSF for structural applications. Crystallinity index of GDSF was noted as 30.35%. The mechanical properties of GDSF were predicted as 375.6 ± 16.58 MPa tensile strength and 126.2 ± 11.93 GPa modulus of elasticity. The morphological and atomic force microscopy study results revealed that the fiber has rough surface even in its raw form. Hence it can be used to prepare composite specimens with better bonding strength between fiber and polymer. The thermal stability of GDSF was noted as 326 °C. Weibull distribution plots were drawn for validating the physical and tensile property values of GDSF.

Photoactivated [Mn(CO)3Br(µ-bpcpd)]2 induces apoptosis in cancer cells via intrinsic pathway.

Carbon monoxide releasing molecules (CORMs) are organometallic/organic compounds that release carbon monoxide (CO) spontaneously or upon activation. PhotoCORMs are capable of releasing CO on light based activation. This group of molecules is used in photodynamic therapy due to their ability to release CO in a controlled manner. In the present investigation, the release of CO from [Mn(CO)3Br(µ-bpcpd)]2 (MnCORM) upon irradiation at λmax 365 nm was assessed spectrophotometrically using myoglobin assay and confirmed by liquid FT-IR spectroscopic analysis. Further, the cytotoxic potential of MnCORM on normal cells (HEK 293) and cancer cell lines such as lung (A549), cervical (HeLa), breast (MDA MB-231) and colon (HCT-15) was evaluated. The IC50 values of MnCORM were found to be 21.37 ±â€¯1.72, 24.12 ±â€¯1.03, 21.89 ±â€¯0.59 and 13.69 ±â€¯0.91 µM on cervical (HeLa), lung (A549), colon (HCT-15) and breast (MDA MB-231) cancer cells respectively. An inquest into the nature of cell death was confirmed based on the nuclear and cytological examinations, flow cytometric analyses and protein expression studies. The AO/EB dual staining and cytological evaluation of the treated cells revealed that the cell death might be due to apoptosis. The flow cytometric analysis of propidium iodide (PI) stained cells showed a significant amount of sub-G1 hypodiploid cells due to MnCORM treatment. The MnCORM-induced apoptosis was mediated through the generation of reactive oxygen species (ROS), specifically superoxide radicals leading to loss of mitochondrial membrane potential. The intrinsic pathway of apoptosis was elucidated based on the expression studies of pro-apoptotic and apoptotic proteins such as bcl-2, bax, cyt c, cleaved caspase-3, cleaved caspase-9 and cleaved PARP. Due to its innate potential to release CO upon photoactivation and its ability to induce apoptosis via intrinsic pathway, the MnCORM molecule could be exploited for controlled release and photodynamic cancer therapy.