Determination of lithium isotopic composition by thermal ionization mass spectrometry

A mass spectrometric method has been proposed for the determination of the isotopic composition of lithium. It is based upon thermal ionization of LiOH loaded onto a single SiO2-coated Re filament. By this method, stable emissions of Li+ ion have been achieved for an extended period of time. The proposed method is capable of analyzing trace quantities (approximately 40 ng) of Li in the presence of sodium with an uncertainty of +/-0.000 25 (two standard deviations of the mean).     

EEG source localization using a sparsity prior based on Brodmann areas

Localizing the sources of electrical activity in the brain from electroencephalographic (EEG) data is an important tool for noninvasive study of brain dynamics. Generally, the source localization process involves a high‐dimensional inverse problem that has an infinite number of solutions and thus requires additional constraints to be considered to have a unique solution. In this article, we propose a novel method for EEG source localization. The proposed method is based on dividing the cerebral cortex of the brain into a finite number of “functional zones” which correspond to unitary functional areas in the brain. To specify the sparsity profile of human brain activity more concisely, the proposed approach considers grouping of the electrical current dipoles inside each of the functional zones. In this article, we investigate the use of Brodmann's areas as the functional zones while sparse Bayesian learning is used to perform sparse approximation. Numerical experiments are conducted on a realistic head model obtained from segmentation of MRI images of the head and includes four major compartments namely scalp, skull, cerebrospinal fluid (CSF), and brain with relative conductivity values. Three different electrode setups are tested in the numerical experiments. The results demonstrate that the proposed approach is quite promising in solving the EEG source localization problem. In a noiseless environment with 71 electrodes, the proposed method was found to accurately locate up to 6 simultaneously active sources with accuracy >70%.     

Hybrid connection algorithm: A strategy for efficient restoration in WDM optical networks

In present communication, we propose a modified resource allocation strategy, namely, hybrid connection algorithm, for achieving efficient restoration in WDM optical networks. The main theme of the algorithm is that, while attempting connection establishment, a wavelength is reserved in advance for providing resources for backup lightpaths. The analysis and the comparison of the proposed strategy with other existing strategies has been undertaken using metrics such as, restoration efficiency, number of wavelength links used by primary and backup lightpaths, and the percent link utilization. The proposed strategy provides 100% restoration efficiency and much better performance than the existing techniques.     

Classification of drug molecules for oxidative stress signalling pathway

In humans, oxidative stress is involved in the development of diabetes, cancer, hypertension, Alzheimers’ disease, and heart failure. One of the mechanisms in the cellular defence against oxidative stress is the activation of the Nrf2‐antioxidant response element (ARE) signalling pathway. Computation of activity, efficacy, and potency score of ARE signalling pathway and to propose a multi‐level prediction scheme for the same is the main aim of the study as it contributes in a big amount to the improvement of oxidative stress in humans. Applying the process of knowledge discovery from data, required knowledge is gathered and then machine learning techniques are applied to propose a multi‐level scheme. The validation of the proposed scheme is done using the K‐fold cross‐validation method and an accuracy of 90% is achieved for prediction of activity score for ARE molecules which determine their power to refine oxidative stress.Inspec keywords: cancer, cellular biophysics, biochemistry, drugs, molecular biophysics, proteins, learning (artificial intelligence), medical computingOther keywords: oxidative stress, Nrf2‐antioxidant response element signalling pathway, ARE signalling pathway, diabetes, cancer, hypertension, Alzheimers’ disease, heart failure, machine learning techniques, K‐fold cross‐validation method, ARE molecules     

Antioxidant and anticholinesterase evaluation of selected Turkish Salvia species

Since Salvia species (Lamiaceae) have been recorded to be used against memory loss in European folk medicine, we herein examined in vitro anticholinesterase and antioxidant activities of 56 extracts prepared with petroleum ether, chloroform, ethyl acetate and methanol obtained from 14 Salvia species (Salvia albimaculata Hedge and Hub, Salvia aucheri Bentham var. canescens Boiss and Heldr, Salvia candidissima Vahl. ssp. occidentalis, Salvia ceratophylla L., Salvia cryptantha Montbret and Bentham, Salvia cyanescens Boiss and Bal., Salvia frigida Boiss, Salvia forskahlei L., Salvia halophilaHedge, Salvia migrostegia Boiss and Bal., Salvia multicaulis Vahl., Salvia sclarea L., Salvia syriaca L., Salvia verticillata L. ssp. amasiaca) growing in Turkey. The antioxidant activities were assessed by both chemical and enzymatic methods against 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical-scavenging and xanthine/xanthine oxidase (XO) system generated superoxide anion radical inhibition. Anticholinesterase effect of the extracts was tested against both acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) at concentrations of 0.2 and 1 mg/ml using a microplate-reader assay based on the Ellman method. Most of the extracts did not show any activity against AChE at 0.2 mg/ml, while the chloroform extracts had noticeable inhibition against BChE between 47.7% and 74.7%. The most active extracts at 1 mg/ml for AChE inhibition were observed to be petroleum ether extract of Salvia albimaculata (89.4%) and chloroform extract of Salvia cyanescens (80.2%), whereas ethyl acetate extracts of Salvia frigida and Salvia migrostegia, chloroform extracts of Salvia candidissima ssp. occidentalis and Salvia ceratophylla, as well as petroleum ether extract of Salvia cyanescens were found to inhibit potently BChE (92.2%, 89.6%, 91.1%, 91.3%, and 91.8%, respectively). Particularly, the ethyl acetate and methanol extracts were observed to be highly active against both DPPH and XO. Our data indicates that nonpolar extracts of Salvia species for anticholinesterase activity and the polar extracts for antioxidant activity are worth further phytochemical evaluation for identifying their active components.     

Dental Composites with Magnesium Doped Zinc Oxide Nanoparticles Prevent Secondary Caries in the Alloxan-Induced Diabetic Model

Antibacterial restorative materials against caries-causing bacteria are highly preferred among high-risk patients, such as the elderly, and patients with metabolic diseases such as diabetes. This study aimed to enhance the antibacterial potential of resin composite with Magnesium-doped Zinc oxide (Mg-doped ZnO) nanoparticles (NPs) and to look for their effectiveness in the alloxan-induced diabetic model. Hexagonal Mg-doped ZnO NPs (22.3 nm diameter) were synthesized by co-precipitation method and characterized through ultraviolet-visible (UV-Vis), Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS) analysis. The Mg-doped ZnO NPs (1, 2.5 and 5% w/w) were then evaluated for antibacterial activity using a closed system in vitro biofilm model. Significant enhancement in the antibacterial properties was observed in composites with 1% Mg-doped ZnO compared to composites with bare ZnO reinforced NPs (Streptococcus mutans, p = 0.0005; Enterococcus faecalis, p = 0.0074, Saliva microcosm, p < 0.0001; Diabetic Saliva microcosm, p < 0.0001). At 1–2.5% Mg-doped ZnO NPs concentration, compressive strength and biocompatibility of composites were not affected. The pH buffering effect was also achieved at these concentrations, hence not allowing optimal conditions for the anaerobic bacteria to grow. Furthermore, composites with Mg-doped ZnO prevented secondary caries formation in the secondary caries model of alloxan-induced diabetes. Therefore, Mg-doped ZnO NPs are highly recommended as an antibacterial agent for resin composites to avoid biofilm and subsequent secondary caries formation in high-risk patients.     

tert-Butyl Nitrite Promoted Visible-Light-Induced Steric-Hindrance-Regulated Concurrent Cross-Coupling and Regioselective Nitration of 3-Alkylidene-2-oxindoles

A tert-butyl nitrite (TBN) promoted visible-light-induced one-pot C−N cross coupling reaction of 3-alkylidene-2-oxindoles with benzene-1,2-diamine was explored. Simultaneously, the indoline motif of 3-alkylidene-2-oxindoles as well as 3-ylidene oxindoles are regioselectively nitrated at the C-6 position by in-situ formed NO₂ radical. (E)-3-(2-(aryl)-2-oxoethylidene)oxindole and (E)-3-ylidene oxindole produce distinct nitrated diastereomeric coupling products, a phenomenon influenced by the steric bulk of the functional group. The experimental findings suggest the potential involvement of a radical pathway in this reaction.     

Quinolizidines as Novel SARS-CoV-2 Entry Inhibitors

COVID-19, caused by the highly transmissible severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), has rapidly spread and become a pandemic since its outbreak in 2019. We have previously discovered that aloperine is a new privileged scaffold that can be modified to become a specific antiviral compound with markedly improved potency against different viruses, such as the influenza virus. In this study, we have identified a collection of aloperine derivatives that can inhibit the entry of SARS-CoV-2 into host cells. Compound 5 is the most potent tested aloperine derivative that inhibited the entry of SARS-CoV-2 (D614G variant) spike protein-pseudotyped virus with an IC₅₀ of 0.5 µM. The compound was also active against several other SARS-CoV-2 variants including Delta and Omicron. Results of a confocal microscopy study suggest that compound 5 inhibited the viral entry before fusion to the cell or endosomal membrane. The results are consistent with the notion that aloperine is a privileged scaffold that can be used to develop potent anti-SARS-CoV-2 entry inhibitors.