Aqua one-pot,three-component synthesis of dihydropyrano[3,2-c]chromenes and amino-benzochromenes catalyzed by sodium malonate

Research on Chemical Intermediates - The widespread biological properties of dihydropyrano[3,2-c]chromenes, 2-amino-4-aryl-4H-benzo[h]chromenes, and 3-amino-1-aryl-1H-benzo[f]chromenes have led to...     

The impact energy analysis by genetic algorithm and response surface methods to study the plastic composite,compatibilizer, and recycled poly effects

Journal of Thermal Analysis and Calorimetry - This study attempts to develop a high-performance wood plastic composite (WPC) in terms of impact strength, tensile strength, and tensile modulus. For...     

Sodium ascorbate as an expedient catalyst for green synthesis of polysubstituted 5-aminopyrazole-4-carbonitriles and 6-amino-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles

Research on Chemical Intermediates - Sodium ascorbate (SA) was used as a safe catalyst for the synthesis of 5-aminopyrazole-4-carbonitriles from the one-pot three-component cyclocondensation (3-CC)...     

On Non-additive Probabilistic Inequalities of H?lder-type

Non-additive measure is a generalization of additive probability measure. Integral inequalities play important roles in classical probability and measure theory. Some well-known inequalities such as the Minkowski inequality and the H?lder inequality play important roles not only in the theoretical area but also in application. Non-additive integrals are useful tools in several theoretical and applied statistics which have been built on non-additive measure. For instance, in decision theory and applied statistics, the use of the non-additive integrals can be envisaged from two points of view: decision under uncertainty and multi-criteria decision-making. In fact, the non-additive integrals provide useful tools in many problems in engineering and social choice where the aggregation of data is required. In this paper, H?lder and Minkowski type inequalities for semi(co)normed non-additive integrals are discussed. The main results of this paper generalize some previous results obtained by the authors.     

Rational design of inhibitors against LpxA protein of Acinetobacter baumannii using a virtual screening method

BackgroundAcinetobacter baumannii is a highly antimicrobial resistant nosocomial pathogen. Resistance to currently used antibiotics has limited effective drugs against this bacterium. This study aimed to propose a rational inhibitor design against the LpxA protein of A. baumannii using a virtual screening method based on a similar structure of ligands.MethodsIn this study, we targeted LpxA protein, which is involved in the early stage of LPS biosynthesis. In the next step, we used Peptide920 and 1,2- Ethanediol as templates to find similar compounds using Drugbank and Zinc15 webservers, respectively. Subsequently, molecular dynamics (MD) simulations were carried out for LpxA protein and two complexes of ZINC895081 and Macrolactam-1 which represented the highest binding affinity and best conformation. Finally, ADMET properties, water solubility and drug-likeness of the desired compounds were evaluated using SwissADME and DruLiTo softwares.ResultsAccording to considered criteria, Drugbank suggested 5 compunds including Ilomastat, Macrolactam-1, Macrolactam-2, Macimorelin, and Oglufanide. On the other hand, Zinc15 webserver suggested 4 compunds including ZINC895048, ZINC895081, ZINC901061 and ZINC1531008. The result of the HDOCK server and Molegro virtual docker (MVD) showed that Macrolactam-1 and ZINC895081 (Citrate) had the highest docking score. In addition, MD simulations showed that ZINC895081 and Macrolactam-1 ligands have the stable binding to the LpxA protein. According to Lipinski's rule, these two compounds are non-carcinogenic, non-toxic and promising inhibitors against LpxA of A. baumannii.ConclusionIt seems that Macrolactam-1 and ZINC895081 (Citrate) are two valuable promising inhibitors against the LpxA protein of A. baumannii. Further in vitro and in vivo experiments are needed to confirm the capabilities of these proposed compounds against A. baumannii.     

General Hardy type inequality for seminormed fuzzy integrals

Hardy type inequality for seminormed fuzzy integrals based on an aggregation function is studied in a rather general form. The main results of this paper generalize some previous results. Also, some conclusions are drawn and some problems for further investigations are given.     

Molecular docking,linear and nonlinear QSAR studies on factor Xa inhibitors

Structural Chemistry - Factor Xa (FXa) enzyme has an important role in the blood coagulation system. Disruption in the enzyme function results in the production of blood clots. Therefore,...     

Comonotonic stochastic processes and generalized mean-square stochastic integral with applications

The concept of monotonic stochastic processes was introduced by Skowroński [Aequationes mathematicae 44 (1992) 249–258]. In this paper, we intro     

Tunneling in submicron CMOS single-photon avalanche diodes

Tunneling is studied in two main single-photon avalanche diode （SPAD） topologies, which are r~-tub guard ring （NTGR） and p-tub guard ring （PTGR）. Device sinmlation, I - V measurements, and dark count calculations and measurements demonstrate that tunneling is the main source of noise in NTGR, but it is less dominant in PTGR SPADs. All structures are characterized with respect to dark noise, photon detection probability, tinting jitter, afterpulsing probability, and breakdown voltage. Noise performmme is disturbed because of tunneling, whereas jitter performance is disturbed because of the short diffusion time of photo-generated minority carriers in NTGR SPADs. The maximum photon detection probability is enhanced because of an improvement in absorption thickness.