Reactive molecular dynamics study on the first steps of DNA damage by free hydroxyl radicals

We employ a large scale molecular simulation based on bond-order ReaxFF to simulate the chemical reaction and study the damage to a large fragment of DNA molecule in the solution by ionizing radiation. We illustrate that the randomly distributed clusters of diatomic OH radicals that are primary products of megavoltage ionizing radiation in water-based systems are the main source of hydrogen abstraction as well as formation of carbonyl and hydroxyl groups in the sugar moiety that create holes in the sugar rings. These holes grow up slowly between DNA bases and DNA backbone, and the damage collectively propagates to a DNA single and double strand break.     

Trace determination of malachite green in water samples using dispersive liquid–liquid microextraction coupled with high-performance liquid chromatography-diode array detection

A simple and reliable method has been developed for the rapid analysis of trace levels of malachite green from water samples using dispersive liquid–liquid microextraction and high-performance liquid chromatography-diode array detection. Factors relevant to the microextraction efficiency, such as the type and volume of extraction solvent, nature and volume of the disperser solvent, the effect of salt, sample solution temperature and the extraction time were investigated and optimised. Under the optimal conditions the linear dynamic range of malachite green was from 0.2 to 100.0?µg?L^?1 with a correlation coefficient of 0.9962. The detection limit and limit of quantification were 0.1?µg?L^?1 and 0.3?µg?L^?1, respectively. The relative standard deviation (RSD) was less than 2.6% (n?=?5) and the recoveries of malachite green (5.0?µg?L^?1) from water samples were in the range of 99.2?±?1.7%. Finally the proposed method was successfully applied for the analysis of malachite green from fish farming water samples.     

Triethylphosphate/Phosphorus Pentoxide as an Efficient Reagent for the Phosphorylation of Phenols

Abstract

A simple, efficient, and novel method has been developed for the phosphorylation of phenols. Treatment of phenols with a mixture of triethylphosphate/phosphorus pentoxide gives the corresponding phosphate derivatives in good yields. This method is easy, rapid, and offers good yields for the phosphorylation of phenols. The reaction of triethylphosphate with phosphorus pentoxide was also studied by variable-temperature ³¹P-NMR spectroscopy.     

A Brief Overview of Potential Treatments for Viral Diseases Using Natural Plant Compounds: The Case of SARS-Cov

The COVID-19 pandemic, as well as the more general global increase in viral diseases, has led researchers to look to the plant kingdom as a potential source for antiviral compounds. Since ancient times, herbal medicines have been extensively applied in the treatment and prevention of various infectious diseases in different traditional systems. The purpose of this review is to highlight the potential antiviral activity of plant compounds as effective and reliable agents against viral infections, especially by viruses from the coronavirus group. Various antiviral mechanisms shown by crude plant extracts and plant-derived bioactive compounds are discussed. The understanding of the action mechanisms of complex plant extract and isolated plant-derived compounds will help pave the way towards the combat of this life-threatening disease. Further, molecular docking studies, in silico analyses of extracted compounds, and future prospects are included. The in vitro production of antiviral chemical compounds from plants using molecular pharming is also considered. Notably, hairy root cultures represent a promising and sustainable way to obtain a range of biologically active compounds that may be applied in the development of novel antiviral agents.     

Poly(N‐bromobenzene‐1,3‐disulfonamide) and N,N,N′,N′‐tetrabromobenzene‐1,3‐disulfonamide as a mild and efficient catalyst for chemoselective thioacetalization of carbonyl functions and transthioacetalization reactions

Poly(N‐bromobenzene‐1,3‐disulfonamide) and N,N,N′,N′‐tetrabromobenzene‐1,3‐disulfonamide are effective catalysts for chemoselective dithioacetalization of aldehydes in the presence of ketones under neutral conditions. J. Heterocyclic Chem., (2011).     

Microwave promoted rapid dehydration of aldoximes to nitriles using melamine-formaldehyde resin supported sulphuric acid in dry media

A simple and convenient procedure for the synthesis of nitriles by dehydration of aldoxime using supported sulphuric acid on melamine-formaldehyde resin(MFR) under solvent-free condition has been developed.A variety of aromatic and aliphatic aldoximes were converted to the corresponding nitriles.The resin was recovered and reused for subsequent reactions.     

Effect of bending anisotropy on the 3D conformation of short DNA loops

The equilibrium three dimensional shape of relatively short loops of DNA is studied using an elastic model that takes into account anisotropy in bending rigidities. Using a reasonable estimate for the anisotropy, it is found that cyclized DNA with lengths that are not integer multiples of the pitch take on nontrivial shapes that involve bending out of planes and formation of kinks. The effect of sequence inhomogeneity on the shape of DNA is addressed, and shown to enhance the geometrical features. These findings could shed some light on the role of DNA conformation in protein-DNA interactions.     

A facile synthesis of novel pyrrolizidines under classical and ultrasonic conditions

Novel pyrrolizidines (1) were synthesized from 1,3-dipolar cycloaddition of azomethine ylides and dipolarophiles (4). The reactions were highly diastereoselective and regioselective and were carried out under reflux and ultrasonic condition at room temperature. In general, milder conditions and moderate improvements in rates and reaction times were observed when ultrasonic condition was used. The products were obtained in high yields, and their structures were determined by (1)H and (13)C NMR spectral data and X-ray diffraction.     

Experimental Study of a Quad-Band Metamaterial-Based Plasmonic Perfect Absorber as a Biosensor

We present a metamaterial-based perfect absorber (PA) that strongly supports four resonances covering a wide spectral range from 1.8 µm to 10 µm of the electromagnetic spectrum. The designed perfect absorber has metal–dielectric–metal layers where a MgF₂ spacer is sandwiched between an optically thick gold film and patterned gold nanoantennas. The spectral tuning of PA is achieved by calibrating the geometrical parameters numerically and experimentally. The manufactured quad-band plasmonic PA absorbs light close to the unity. Moreover, the biosensing capacity of the PA is tested using a 14 kDa S100A9 antibody, which is a clinically relevant biomarker for brain metastatic cancer cells. We utilize a UV-based photochemical immobilization technique for patterning of the antibody monolayer on a gold surface. Our results reveal that the presented PA is eligible for ultrasensitive detection of such small biomarkers in a point-of-care device to potentially personalize radiotherapy for patients with brain metastases.     

MOF-Based Mycotoxin Nanosensors for Food Quality and Safety Assessment through Electrochemical and Optical Methods

Mycotoxins in food are hazardous for animal and human health, resulting in food waste and exacerbating the critical global food security situation. In addition, they affect commerce, particularly the incomes of rural farmers. The grave consequences of these contaminants require a comprehensive strategy for their elimination to preserve consumer safety and regulatory compliance. Therefore, developing a policy framework and control strategy for these contaminants is essential to improve food safety. In this context, sensing approaches based on metal-organic frameworks (MOF) offer a unique tool for the quick and effective detection of pathogenic microorganisms, heavy metals, prohibited food additives, persistent organic pollutants (POPs), toxins, veterinary medications, and pesticide residues. This review focuses on the rapid screening of MOF-based sensors to examine food safety by describing the main features and characteristics of MOF-based nanocomposites. In addition, the main prospects of MOF-based sensors are highlighted in this paper. MOF-based sensing approaches can be advantageous for assessing food safety owing to their mobility, affordability, dependability, sensitivity, and stability. We believe this report will assist readers in comprehending the impacts of food jeopardy exposure, the implications on health, and the usage of metal-organic frameworks for detecting and sensing nourishment risks.