Theoretical study of Diels-Alder reactions between cyclopentadiene and 2-aryl-4,6-dinitrobenzotriazole 1-oxides

This work deals with the theoretical study of Diels-Alder inverse and normal electron demand reactions. Based on various calculation methods such as SCF/6-31G and DFT/B3LYP with the standard basis set 6-31G, we discuss the possibility of reactions between cyclopentadiene with a series of 2-aryl-4,6-dinitrobenzotriazole 1-oxides from a thermodynamic perspective.     

Curcumin Attenuated Neurotoxicity in Sporadic Animal Model of Alzheimer’s Disease

Alzheimer’s disease (AD) is one of the most common neurodegenerative diseases leading to dementia. Despite research efforts, currently there are no effective pharmacotherapeutic options for the prevention and treatment of AD. Recently, numerous studies highlighted the beneficial effects of curcumin (CUR), a natural polyphenol, in the neuroprotection. Especially, its dual antioxidant and anti-inflammatory properties attracted the interest of researchers. In fact, besides its antioxidant and anti-inflammatory properties, this biomolecule is not degraded in the intestinal tract. Additionally, CUR is able to cross the blood–brain barrier and could therefore to be used to treat neurodegenerative pathologies associated with oxidative stress, inflammation and apoptosis. The present study aimed to assess the ability of CUR to induce neuronal protective and/or recovery effects on a rat model of neurotoxicity induced by aluminum chloride (AlCl₃), which mimics the sporadic form of Alzheimer’s disease. Our results showed that treatment with CUR enhances pro-oxidant levels, antioxidant enzymes activities and anti-inflammatory cytokine production and decreases apoptotic cells in AlCl₃-exposed hippocampus rats. Additionally, histopathological analysis of hippocampus revealed the potential of CUR in decreasing the hallmarks in the AlCl₃-induced AD. We also showed that CUR post-treatment significantly improved the behavioral, oxidative stress and inflammation in AlCl₃-exposed rats. Taken together, our data presented CUR as a nutraceutical potential through its protective effects that are more interesting than recovery ones in sporadic model of AD.     

Use of thermal analysis to predict the conditions for thermal explosion to occur: application to a Ce triethanolamine complex

Journal of Thermal Analysis and Calorimetry - Thermal energy storage (TES) has been identified as a breakthrough concept in development of renewable technologies. However, the main challenges are...     

Compressed exponential form for disordered domain wall motion in ultra-thin Au/Co/Au ferromagnetic films

Magnetization reversal in ultra-thin Au/Co/Au films deposited on single crystal silicon (1 0 0) was investigated using Kerr microscopy. In the considered ultra-thin Co films, with a thickness between 0.7 and 1 nm, the coercivity and magnetic anisotropy decrease with decrease in cobalt layer thickness and the magnetization reversal dynamics is dominated by disordered domain wall motion. An analysis of the observed magnetization reversal dynamics is proposed, starting from the Fatuzzo-Labrune model. We show that the relaxation curves of these samples are well described by a function obtained by a technical transformation of Fatuzzo-Labrune model in the regime dominated by domain wall motion.     

Tetrathiafulvalene based electroactive ligands and complexes: Synthesis,crystal structures and antifungal activity

The synthesis of two tetrathiafulvalene-appended pyridinehydrazone pyrimidine ligands, namely (Z)-4-(2-((5-([2,2′-bi(1,3-dithiolylidene)]-4-yl)pyridin-2-yl)methylene) hydrazinyl)-6-chloropyrimidine L1 and (Z)-4-(2-((6-([2,2′-bi(1,3-dithiolylidene)]-4-yl)pyridin-2-yl)methylene) hydrazinyl)-6-chloropyrimidine L2 is described. Ligand L1 was reacted with cobalt(II) to yield a cationic metal complex [Co(L1)₂] while ligand L2 was reacted with zinc(II) to afford a neutral metal complex [ZnL2Cl₂]. The crystal structure analysis of [Co(L1)₂] indicate that Co(II) ion is coordinated by six nitrogen atoms from two perpendicular ligands while in [ZnL2Cl₂], Zn(II) is coordinated by two chlorine atoms and three nitrogen atoms. The electrochemical behavior indicate that ligands L1 and L2 and the zinc(II) complex are suitable fort the preparation of crystalline radical cation salts. Finally the determination of MIC₈₀ values against C. albicans, C. glabrata, C. parapsilosis, C. krusei and E. dermatitidis revealed that the cobalt(II) metal complex [Co(L1)₂] is active against all the studied fungi.     

Evaluation of different machines used to quantify genetic modification by real-time PCR

Quantification of genetic modification (GM) is often undertaken to test for compliance with the European Union GM labeling threshold in food. Different control laboratories will often use common validated methods, but with different models of real-time PCR machines. We performed two separate ring trials to evaluate the relative precision and accuracy of different types of real-time PCR machines used to quantify the concentration of GM maize. Both trials used dual-labeled fluorogenic probes for quantification. The first ring trial used separate GM and reference assays (a single fluorescence channel), and the second used a combined duplex assay (two simultaneous fluorescence channels). Five manufacturers and seven models--including a 96-well microtiter-plate, rotary, and portable machines--were examined. In one trial, the machine used had a significant effect on precision, but in the other it did not. Overall, the degree of variation due to the machine model was lower than other factors. No significant repeatable difference in accuracy was observed between machine models. It was not possible to use sufficient replication of machine type in each laboratory to examine all sources of variation in this study, but the results strongly indicate that factors other than machine type or manufacturer (e.g., method or laboratory) contribute more to variation in a GM quantification result.     

A variance-based method to rank input variables of the Mesh Adaptive Direct Search algorithm

The Mesh Adaptive Direct Search algorithm (Mads) algorithm is designed for nonsmooth blackbox optimization problems in which the evaluation of the functions defining the problems are expensive to compute. The Mads algorithm is not designed for problems with a large number of variables. The present paper uses a statistical tool based on variance decomposition to rank the relative importance of the variables. This statistical method is then coupled with the Mads algorithm so that the optimization is performed either in the entire space of variables or in subspaces associated with statistically important variables. The resulting algorithm is called Stats-Mads and is tested on bound constrained test problems having up to 500 variables. The numerical results show a significant improvement in the objective function value after a fixed budget of function evaluations.