Synthesis, Antimicrobial Activities of New Sulfonamidobenzoxazoles and Molecular Docking Studies on Escherichia coli TEM-1 β-Lactamase

β-Lactam antibiotics are frequently used for treatment of multi-drug resistant microbial infections and the most common mechanism of resistance against these antibiotics is bacterial β-lactamase production. Herein, we reported the design, synthesis and in vitro antimicrobial activities of some new 2-substituted-5-(2,4-dinitrophenylsulfonamido)benzoxazole derivatives. Compounds TN1, TN2, and TN3 were found to be significantly active against E. coli isolate which contains extended spectrum β-lactamase enzyme at the MIC value of 8 µg mL–1 and that is 4-fold higher than the reference drug ampicillin. We performed molecular docking studies into active site of Escherichia coli TEM-1 β-lactamase enzyme in order to predict the protein-ligand interactions. According to the docking results, compounds TN1, TN2, and TN3 showed strong interactions between the important active site residues which are responsible for the catalytic mechanism of TEM-1 β-lactamase enzyme and a good correlation is found with the experimental data. This work is licensed under a Creative Commons Attribution 4.0 International License

Parameter Identification for Gompertz and Logistic Dynamic Equations

In this paper, we generalize and compare Gompertz and Logistic dynamic equations in order to describe the growth patterns of bacteria and tumor. First of all, we introduce two types of Gompertz equations, where the first type 4-paramater and 3-parameter Gompertz curves do not include the logarithm of the number of individuals, and then we derive 4-parameter and 3-parameter Logistic equations. We notice that Logistic curves are better in modeling bacteria whereas the growth pattern of tumor is described better by Gompertz curves. Increasing the number of parameters of Logistic curves give favorable results for bacteria while decreasing the number of parameters of Gompertz curves for tumor improves the curve fitting. Moreover, our results overshadow some of the existing results in the literature

Nucleate Pool Boiling on A Plain Surface

Nucleate pool boiling of distilled water on a plain copper surface has been investigated experimentally and modeled numerically. In the experimental study, bubble behavior on a single nucleation site was observed using high-speed photography and long-distance microscopy. Diameter for a single bubble growth was determined during the ebullition cycle via recordings. Numerical simulations have been carried out using CLSVOF method using ANSYS 18.2. To verify the simulation, the bubble growth period is compared with the results of the experimental study. Data from the numerical results compare reasonably well with the experimental study

Synthesis and In vitro Antimicrobial Activity of Novel 2-(4-(Substituted-carboxamido)benzyl / phenyl)benzothiazoles

A new series of 2-[4-(4-substitutedbenzamido / phenylacetamido / phenylpropionamido) benzyl / phenyl]benzothiazole derivatives (6a−6w) were synthesized and evaluated for antibacterial and antifungal activities against Staphylococcus aureus, Bacillus subtilis, Klebsiella pneumoniae, Pseudomonas aeruginosa, Escherichia coli with their drug-resistant isolates and a yeast Candida albicans. Microbiological results indicated that the compounds possessed a broad spectrum of activity against the tested microorganisms at MIC values between 200 and 6.25 μg/ml. Compounds 6e and 6j exhibited the greatest activity with MIC values of 6.25 μg/ml against Pseudomonas aeruginosa, and Staphylococcus aureus isolate, respectively.(doi: 10.5562/cca2064

Does Inferior Oblique Muscle Overaction Affect Ocular Vestibular Evoked Myogenic Potentials?

Objectives: Inferior oblique muscle overaction (IOOA) is a common ocular motility disorder. Ocular Vestibular Evoked Myogenic Potentials (oVEMP) are tests that evaluate the reflex pathway between the utricular macula and the inferior oblique muscle to detect vestibular diseases. Our study is of great importance as it is the first study in the literature to evaluate the effect of inferior oblique muscle overaction on oVEMP parameters. Methods: Thirty-five patients with unilateral inferior oblique muscle overaction (IOOA group) and 18 healthy volunteers without any neurological or vestibulocochlear disease were included in this study. All patients and healthy volunteers were evaluated with oVEMP. Results: No statistically significant difference was found between the n1 latency, p1 latency, n1-p1 latency measurement values of the participants included in the study (p\u3e0,05). A statistically significant difference was found between the n1-p1 amplitude measurement values of the participants in patient groups (non-squint eyes, squint eyes) and control groups (p-value was 0.038). Conclusion: In IOOA patients, vestibulo-ocular reflex pathway may be affected, vestibular symptoms may develop thus o-VEMP responses may be affected. A careful anamnesis should be taken in IOOA patients, and it should be kept in mind that n1-p1 amplitudes and asymmetries may be significantly higher when o-VEMP is performe

Benzothiazole derivatives as human DNA topoisomerase IIα inhibitors

Abstract Benzothiazole derivatives resembling the structure of DNA purine bases were tested to determine their topoisomerase inhibition activities. Based on DNA topoisomerase I and II relaxation assay results, all 12 derivatives acted as human topoisomerase IIa inhibitors, whereas only two compounds inhibited Calf thymus topoisomerase I. 3-amino-2-(2-bromobenzyl)-1,3-benzothiazol-3-ium 4-methylbenzensulfonate (BM3) was observed to be the most effective human topoisomerase IIa inhibitor with the lowest IC 50 value of 39 nM. The mechanistic studies suggested that BM3 was neither a DNA intercalator nor a topoisomerase poison, it was only a DNA minor groovebinding agent. BM3 initially bound to the DNA topoisomerase IIa enzyme, then to DNA. As a result, the tested benzothiazole derivatives were obtained as strong topoisomerase IIa inhibitors. The benzothiazole tosylated salt form BM3 was found as the most effective topoisomerase IIa inhibitor. BM3's mechanisms of action might be its direct interaction with the enzyme. BM3's minor groove-binding property might also contribute to this action. Hence, BM3 could be a good candidate as a new anticancer agent

Measurement of the top quark forward-backward production asymmetry and the anomalous chromoelectric and chromomagnetic moments in pp collisions at √s = 13 TeV

Abstract The parton-level top quark (t) forward-backward asymmetry and the anomalous chromoelectric (d̂ t) and chromomagnetic (μ̂ t) moments have been measured using LHC pp collisions at a center-of-mass energy of 13 TeV, collected in the CMS detector in a data sample corresponding to an integrated luminosity of 35.9 fb−1. The linearized variable AFB(1) is used to approximate the asymmetry. Candidate t t ¯ events decaying to a muon or electron and jets in final states with low and high Lorentz boosts are selected and reconstructed using a fit of the kinematic distributions of the decay products to those expected for t t ¯ final states. The values found for the parameters are AFB(1)=0.048−0.087+0.095(stat)−0.029+0.020(syst),μ̂t=−0.024−0.009+0.013(stat)−0.011+0.016(syst), and a limit is placed on the magnitude of | d̂ t| < 0.03 at 95% confidence level. [Figure not available: see fulltext.

Measurement of t(t)over-bar normalised multi-differential cross sections in pp collisions at root s=13 TeV, and simultaneous determination of the strong coupling strength, top quark pole mass, and parton distribution functions

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An embedding technique to determine ττ backgrounds in proton-proton collision data

An embedding technique is presented to estimate standard model tau tau backgrounds from data with minimal simulation input. In the data, the muons are removed from reconstructed mu mu events and replaced with simulated tau leptons with the same kinematic properties. In this way, a set of hybrid events is obtained that does not rely on simulation except for the decay of the tau leptons. The challenges in describing the underlying event or the production of associated jets in the simulation are avoided. The technique described in this paper was developed for CMS. Its validation and the inherent uncertainties are also discussed. The demonstration of the performance of the technique is based on a sample of proton-proton collisions collected by CMS in 2017 at root s = 13 TeV corresponding to an integrated luminosity of 41.5 fb(-1).Peer reviewe