Molecular dynamics study of TIP3P, SPC/E and TIP4P water models at room temperature

Molecular dynamics simulations of three water models, namely, TIP3P, SPC/E, and TIP4P which are commonly used in biomolecular simulations were carried out at room temperature. Multinanosecond trajectories were generated to analyze the structural and dynamical properties of the three water models. It has found that depending on the water models the properties change significantly.The structural behavior of water was studied by calculating pair-correlation function between the oxygen atoms of water molecules. Interestingly, it has noticed that waters of TIP4P model are highly structured as compared to the other two models. Further translational motions of the water molecules were found to be highly restricted for the SPC/E model as compared to the other two models. The diffusion-coefficient of TIP3P water was found to be twice as compared to SPC/E water model. Our findings correlate well with the experimentally available data

Search For a Leptoquark and Vector-like Lepton in a Muon Collider

The proposal for a high-energy muon collider offers many opportunities in the search for physics beyond the Standard Model (BSM). The collider by construction is likely to be more sensitive to the muon-philic models, primarily motivated by the BSM explanation of muon $(g-2)$ excess and quark flavor anomalies. In this work, we explore the potential of the proposed muon collider in the context of such models and focus on one such model that extends the Standard Model (SM) with a leptoquark, a vector-like lepton, and a real scalar. In this model, we propose searches for TeV scale leptoquarks in $2\mu+2b+$MET channel. Notably, the leptoquark can be produced singly at the muon collider with a large cross-section. We have shown that a significant signal in this channel can be detected at 3~TeV muon collider even with an integrated luminosity as low as $\sim 10$~fb$^{-1}$.Comment: 26 pages, 5 figures, and 3 table

Dark Matter and Collider Searches in S3S_3-Symmetric 2HDM with Vector Like Leptons

We study the $S_3$-symmetric two Higgs doublet model by adding two generations of vector like leptons (VLL) which are odd under a discrete $Z_2$ symmetry. The lightest neutral component of the VLL acts as a dark matter (DM) whereas the full VLL set belongs to a dark sector with no mixings allowed with the standard model fermions. We analyse the model in light of dark matter and collider searches. We show that the DM is compatible with the current relic density data as well as satisfying all direct and indirect dark matter search constraints. We choose some representative points in the model parameter space allowed by all aforementioned dark matter constraints and present a detailed collider analysis of multi-lepton signal viz. the mono-lepton, di-lepton, tri-lepton and four-lepton along with missing transverse energy in the final state using both the cut-based analysis and multivariate analysis respectively at the high luminosity 14 TeV LHC run.Comment: 51 Pages, 10 Captioned figures and 20 Tables, minor changes made in the manuscript, version accepted for publication in The European Physical Journal C journa

Temperature dependent dynamics of DegP-trimer: A molecular dynamics study

DegP is a heat shock protein from high temperature requirement protease A family, which reacts to the environmental stress conditions in an ATP independent way. The objective of the present analysis emerged from the temperature dependent functional diversity of DegP between chaperonic and protease activities at temperatures below and above 28 °C, respectively. DegP is a multimeric protein and the minimal functional unit, DegP-trimer, is of great importance in understanding the DegP pathway. The structural aspects of DegP-trimer with respect to temperature variation have been studied using molecular dynamics simulations (for 100 ns) and principal component analysis to highlight the temperature dependent dynamics facilitating its functional diversity. The DegP-trimer revealed a pronounced dynamics at both 280 and 320 K, when compared to the dynamics observed at 300 K. The LA loop is identified as the highly flexible region during dynamics and at extreme temperatures, the residues 46–80 of LA loop express a flip towards right (at 280) and left ( at 320 K) with respect to the fixed β-sheet connecting the LA loop of protease for which Phe46 acts as one of the key residues. Such dynamics of LA loop facilitates inter-monomeric interaction with the PDZ1 domain of the neighbouring monomer and explains its active participation when DegP exists as trimer. Hence, the LA loop mediated dynamics of DegP-trimer is expected to provide further insight into the temperature dependent dynamics of DegP towards the understanding of its assembly and functional diversity in the presence of substrate

STUDY OF VITAMIN D LEVELS IN EPILEPTIC CHILDREN IN AGE GROUP OF 2-16 YEARS

 Objective: Epilepsy is a common neurological disorder in childhood. A number of medications are used in the treatment of epilepsy. Antiepilepticdrugs (AEDs) are known to exert deleterious effects on vitamin D metabolism. Its deficiency state in epileptics can lead to difficult seizure control asvitamin D is said to have anti-epileptogenic activity in addition to its known role in calcium metabolism. Correction of vitamin D deficiency may helpin decreasing the morbidity as well as seizure frequency. The purpose of this prospective observational study was to determine vitamin D status inthese children.Methods: Seventy children aged 2-16 years with epilepsy on AEDs were assessed for vitamin D levels.Results: The results showed that the vitamin D levels in this study population were significantly low.Conclusion: Vitamin D levels were significantly low in children with epilepsy and hence, it is recommended that vitamin D supplementation in thesechildren is necessary to reduce the seizure frequency and vitamin D deficiency related morbidity.Keywords: 25OH vitamin D, Epilepsy, Antiepileptic drugsÂ

The role of peroxidase in the enzymatic oxidation of phenolic compounds to quinones from Luffa aegyptiaca (gourd) fruit juice

Luffa aegyptiaca fruit juice was used as a low purity source of enzyme, which contained peroxidase activity of 180 IU/mL. The results of UV/VIS and IR studies suggested that L. aegyptiaca fruit juice works efficiently in the enzymatic conversion of phenolic compounds, namely guaiacol, m-cresol, p-cresol, o-cresol, anisole, resorcinol, catechol, pyrogallol, hydroquinone, veratryl alcohol and phoreguicinol to quinones at 30°C. The p-cresol and pyrogallol were converted to quinones more efficiently as compared to other phenolic compounds. Determination of enzymatic characteristic properties such as Michaelis–Menten constant (Km), temperature optima and pH optima using different phenolic compounds, indicated p-cresol as a potential substrate for the peroxidase enzyme assay at room temperature, whereas guaiacol, which is widely used as a substrate for enzyme assay, has a higher temperature optima at 60°C for its maximum catalytic activity. Enzyme activity is inhibited by sodium azide using different phenolic substrates in the reaction mixture

Synthesized Silver Nanoparticle Loaded Gel of Curcuma Caesia for Effective Treatment of Acne

Objective: The objective of our research is to prepare silver nanoparticles from the rhizome extract of Curcuma caesia and develop topical herbal gel formulation for the effective treatment of acne. Methods: In this present study, silver nanoparticles were synthesized using hydroalcoholic extract of Curcuma caesia rhizome. Silver nanoparticles loaded gels were evaluated for pH, viscosity, spreadability, in vitro release, estimation of total flavonoids and alkaloid content and antibacterial (propioni bacterium acne) studies. Results: The synthesized silver nanoparticles were stable, spherical shape with average particle size of 220.5 nm. The results obtained in the developed formulation showed no lumps, had uniform color dispersion and were free from any fiber and particle. It was also observed to have easy washablity, good spreadability, pH was found to be 6.58±0.02 and 7.02±0.01 similar to pH of the skin. The antibacterial study of the developed formulation showed inhibitory activity against Propioni bacterium acne. Synthesized silver nanoparticle loaded gel displayed drug release of optimized formulation F3 follows the Higuchi kinetic model, and the mechanism is found to be non Fickian/anomalous according to Korsmeyer–Peppas. Silver nanoparticles effectively inhibited the growth of both microorganism indicating good antibacterial properties. Conclusion: Synthesis of silver nanoparticles using Curcuma caesia is a new, green method and not reported yet, as per literature survey done for this project. Successful synthesis and evaluation of silver nanoparticles was proved by the in-vitro study. Keywords: Curcuma caesia, Silver nanoparticles, Propioni bacterium acne, Acne, Flavonoids content, Alkaloid content, Antibacterial

Signals for vector-like leptons in an

In this work, we explore the signals of an $$S_3$$-symmetric two Higgs doublet model with two generations of vector-like leptons (VLLs) at the proposed International Linear Collider (ILC). The lightest neutral component of the VLL in this model provides a viable dark matter (DM) candidate satisfying the current relic density data as well as circumventing all direct and indirect DM search constraints. Some representative benchmark points have been selected with low, medium and high DM masses, satisfying all theoretical and experimental constraints of the model and constraints coming from the DM sector. The VLLs (both neutral and charged) will be produced in pair leading to multi-lepton and multi-jet final states. We show that the ILC will prove to be a much more efficient and useful machine to hunt for such signals compared to LHC. Using traditional cut-based analysis as well as sophisticated multivariate analysis, we perform a detailed analysis of some promising channels containing mono-lepton plus di-jet, di-lepton, four-lepton and four jets along with missing transverse energy in the final state at 1 TeV ILC

Role of antioxidants as a stress factor for potentially malignant, malignant disorders and healthy individuals: A correlative study

Background: The possible role of free radicals in pathogenesis of a disease and its prevention by antioxidants is well-known. Literature reveals an independent correlation between the risk factors and these disorders. The aim of the present study was to ascertain the values of vitamin A, vitamin E, superoxide dismutase (SOD), and malondialdehyde (MDA) in normal individuals and patients with potentially malignant and malignant disorders. Materials and Methods: In this study, serum vitamin A, E, SOD, and MDA levels were assessed in 80 patients divided into four groups marked as a group I normal individuals, group IIa individuals with habits but without any lesions, group IIb with potentially malignant disorders, and group III with malignant disorders. Results: The mean vitamin A level in the group I was 3.07 ± 0.27, group IIa was 1.48 ± 0.37, group IIb was 0.89 ± 0.21, and group III was 0.67 ± 0.17. The mean vitamin E level in group I was 9.89 ± 0.75, group IIa was 8.85 ± 0.42, group IIb was 7.63 ± 0.39, and group III was 6.43 ± 0.34. The mean MDA level in group I was 2.92 ± 0.36, group IIa was 6.05 ± 0.78, group IIb was 10.13 ± 0.75, and group III was 14.15 ± 0.47. The mean SOD activity level among group I was 189.45 ± 14.17, group IIa was 169.05 ± 4.98, group IIb was 115.65 ± 19.60, and group III was 52.63 ± 4.02. Conclusion: There was a significant reduction in serum Vitamin A, Vitamin E, and SOD levels whereas there was a significant increase in serum MDA levels in patients with potentially malignant and malignant disorders as compared to normal individuals

Prevalence and calcification of stylohyoid complex in North West part of India and its correlation with general and dental health condition

Aim: This study was conducted to evaluate the variation and clinical significance of stylohyoid complex and to correlate it with general and dental health among different age groups and gender using panoramic radiographs. Materials and Methods: The study included 1,000 subjects indicated for panoramic radiographs. Styloid processes >30 mm were correlated age wise and gender wise. The morphology of the calcified stylohyoid complexes was allocated into 12 different patterns and their length was measured directly on the radiographs. Serum calcium levels and cholesterol levels were obtained from subjects with elongated styloid process and their heart rate, blood pressure measurement, weight, height, number of teeth present, and community periodontal index (CPI) was assessed. Results: Out of 978 detected styloid processes, 267 (27.3%) were more than 30 mm. The average length of the calcified styloid complex was 26.40 mm. The most common pattern of calcification was found to be E pattern, 64 (34.03%) in number which had statistically significant correlation with age (P value <0.001). Pearson's correlation coefficient association of body weight with elongated styloid process (left and right) was 0.163 (P value 0.162) and 0.300 (P value 0.001) respectively which was found to be statistically significant on right side. Twenty seven subjects who showed no elongation but evident calcification patterns according to gender and age on panoramic radiographs were also recorded and were called mineralized styloid termed as mineralization. Conclusion: Calcification of the styloid complex is commonly observed on panoramic radiographs and the present and previous studies indicate that the panoramic radiographs include information on general and dental health condition