Incorporation of a Fluorine Atom in a Bridging Ligand of Half-Lantern Pt Complexes Provides up to 10-Fold Enhancement of Electroluminescence Brightness.

The binuclear half-lantern platinum(II) complexes [Pt(pbt)(μ-SN)] (pbtH = 2-phenylbenzothiazole, SN = benzo[]thiazole-2-thiolate , 6-fluorobenzo[]thiazole-2-thiolate , 6-chlorobenzo[]thiazole-2-thiolate , 6-bromobenzo[]thiazole-2-thiolate , and 6-iodobenzo[]thiazole-2-thiolate ) were synthesized by the treatment of the in situ formed [Pt(pbt)(NCMe)]NO complex and appropriate benzo[]thiazole-2-thiole in the presence of BuOK; yield: 51-84%. Complexes - exhibit intense red photoluminescence originated from MMLCT state reaching 22% room temperature quantum yields in a CHCl solution. All complexes display excited-state decay kinetics both in solution and in the solid state; the kinetics was adequately modeled by single exponentials.

White and Gray Matter Perfusion in Children with Moyamoya Angiopathy after Revascularization Surgery.

Introduction: Surgical revascularization is very effective in patients with moyamoya angiopathy (MMA) and leads to improvements in cortical perfusion parameters. However, changes in white matter hemodynamics are still underestimated. To date, only a few studies have examined brain perfusion changes within deep white matter after bypass surgery in patients with MMA.

Uridine Derivatives: Synthesis, Biological Evaluation, and In Silico Studies as Antimicrobial and Anticancer Agents.

Nucleoside analogs are frequently used in the control of viral infections and neoplastic diseases. However, relatively few studies have shown that nucleoside analogs have antibacterial and antifungal activities. In this study, a fused pyrimidine molecule, uridine, was modified with various aliphatic chains and aromatic groups to produce new derivatives as antimicrobial agents.

Growth Mechanism and Kinetics of Diamond in Liquid Gallium from Quantum Mechanics Molecular Dynamics Simulations.

Ruoff and co-workers recently demonstrated low-temperature (1193 K) homoepitaxial diamond growth from liquid gallium solvent. To develop an atomistic mechanism for diamond growth underlying this remarkable demonstration, we carried out density functional theory-based molecular dynamics (DFT-MD) simulations to examine the mechanism of single-crystal diamond growth on various low-index crystallographic diamond surfaces (100), (110), and (111) in liquid Ga with CH. We find that carbon linear chains form in liquid Ga and then react with the growing diamond surface, leading first to the formation of carbon rings on the surface and then initiation of diamond growth.

An Overview of Pulses Production in India: Retrospect and Prospects of the Future Food with an Application of Hybrid Models.

Forecasts are valuable to countries to make informed business decisions and develop data-driven strategies. The production of pulses is an integral part of agricultural diversification initiatives because it offers promising economic opportunities to reduce rural poverty and unemployment in developing countries. Pulses are the cheapest source of protein needed for human health.

Density Functional Theory, Molecular Dynamics and AlteQ Studies Approaches of Baimantuoluoamide A and Baimantuoluoamide B to Identify Potential Inhibitors of M Proteins: a Novel Target for the Treatment of SARS COVID-19.

Unlabelled: COVID-19 has resulted in epidemi conditions over the world. Despite efforts by scientists from all over the world to develop an effective va ine against this virus, there is presently no recognized cure for COVID-19. The most succeed treatments for various ailments come from natural components found in medicinal plants, which are also rucial for the development of new medications.

Highly sensitive voltammetric determination of Allura Red (E129) food colourant on a planar carbon fiber sensor modified with shungite.

This article presents an original planar carbon fiber electrode (PCFE), in which shungite (SHU) is used as a modifier for the first time. Shungite is a unique natural nanostructured composite consisting of carbon in the form of aggregated graphene stacks, oxides of silicon, titanium, aluminum, iron, magnesium, potassium, etc. Macro- and micro-elements, biologically active components that are present in shungite provide it with attractive antioxidant properties, make it a biocompatible and environmentally friendly material that meets the principles of green chemistry.

Insight into crystal structures and identification of potential styrylthieno[2,3-]pyridine-2-carboxamidederivatives against COVID-19 Mpro through structure-guided modeling and simulation approach.

Anti-SARS-CoV-2 drugs are urgently needed to prevent the pandemic and for immunization. Their protease inhibitor treatment for COVID-19 has been used in clinical trials. In Calu-3 and THP1 cells, 3CL SARS-CoV-2 Mpro protease is required for viral expression, replication, and the activation of the cytokines IL-1, IL-6, and TNF-.

Green Synthesis of Genistein-Fortified Zinc Ferrite Nanoparticles as a Potent Hepatic Cancer Inhibitor: Validation through Experimental and Computational Studies.

In hepatic cancer, precancerous nodules account for damage and inflammation in liver cells. Studies have proved that phyto-compounds based on biosynthetic metallic nanoparticles display superior action against hepatic tumors. This study targeted the synthesis of genistein-fortified zinc ferrite nanoparticles (GENP) trailed by anticancer activity assessment against diethylnitrosamine and N-acetyl-2-aminofluorene induced hepatic cancer.

Emission and Migration of Nanoscale Particles during Osseointegration and Disintegration of Dental Implants in the Clinic and Experiment and the Influence on Cytokine Production.

The emission of nanoscale particles from the surfaces of dental implants leads to the cumulative effect of particle complexes in the bone bed and surrounding soft tissues. Aspects of particle migration with the possibility of their involvement in the development of pathological processes of systemic nature remain unexplored. The aim of this work was to study protein production during the interaction of immunocompetent cells with nanoscale metal particles obtained from the surfaces of dental implants in the supernatants.

Resistance to Resveratrol Treatment in Experimental PTSD Is Associated with Abnormalities in Hepatic Metabolism of Glucocorticoids.

Glucocorticoids are metabolized by the CYP3A isoform of cytochrome P450 and by 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD-1). Experimental data suggest that post-traumatic stress disorder (PTSD) is associated with an increase in hepatic 11β-HSD-1 activity and a concomitant decrease in hepatic CYP3A activity. -resveratrol, a natural polyphenol, has been extensively studied for its antipsychiatric properties.

Development of Resource-Saving Biotechnology for the Production of a Feed Additive from Distiller's Wastes with Probiotic Properties.

The trend towards an increase in ethanol production on a global scale and the tightening of restrictive measures regarding the disposal of by-products from production increases the relevance of research in finding ways to process them. This study aimed to assess the effectiveness of a feed additive containing dried stillage fermented with pre-immobilized cultures of , , 104 when finishing steers. The dose of inoculum (3.

Effect of plasma-activated water and buffer solution combined with ultrasound on fungicide degradation and quality of cherry tomato during storage.

The purpose of this study was to examine plasma-activated buffer solution (PABS) and plasma-activated water (PAW) combined with ultrasonication (U) treatment on the reduction of chlorothalonil fungicide and the quality of tomato fruits during storage. To obtain PAW and PABS, an atmospheric air plasma jet was used to treat buffer solution and deionized water at different treatment times (5 and 10 min). For combined treatments, fruits were submerged in PAW and PABS, then sonicated for 15 min, and individual treatment without sonication.

Nitrogen Containing Heterocycles as Anticancer Agents: A Medicinal Chemistry Perspective.

Cancer is one of the major healthcare challenges across the globe. Several anticancer drugs are available on the market but they either lack specificity or have poor safety, severe side effects, and suffer from resistance. So, there is a dire need to develop safer and target-specific anticancer drugs.

Can Resveratrol Influence the Activity of 11β-Hydroxysteroid Dehydrogenase Type 1? A Combined In Silico and In Vivo Study.

The enzyme 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD-1) is an NADPH-dependent reductase, responsible for the activation of cortisol by reducing cortisone. Resveratrol (RES), a type of natural polyphenol, is reported to be able to slow the progression of cancer and cardiovascular disease and improve the health of mice on a high-calorie diet. In this article, we applied molecular docking and molecular dynamics simulations to investigate the possibility of binding RES to 11β-HSD-1.

Datura metel L. leaf extract mediated sodium alginate polymer membrane for supercapacitor and food packaging applications.

Datura metel L. leaf extract mediated sodium alginate polymer membrane was successfully made using the solution casting technique. Electric, electrochemical, physicochemical and antimicrobial analyses of the prepared film were investigated.

Advanced Tree-Based Techniques for Predicting Unconfined Compressive Strength of Rock Material Employing Non-Destructive and Petrographic Tests.

The accurate estimation of rock strength is an essential task in almost all rock-based projects, such as tunnelling and excavation. Numerous efforts to create indirect techniques for calculating unconfined compressive strength (UCS) have been attempted. This is often due to the complexity of collecting and completing the abovementioned lab tests.

Benzo[1,2-:4,5-']bis([1,2,3]thiadiazole) and Its Bromo Derivatives: Molecular Structure and Reactivity.

Benzo[1,2-:4,5-']bis([1,2,3]thiadiazole) (isoBBT) is a new electron-withdrawing building block that can be used to obtain potentially interesting compounds for the synthesis of OLEDs and organic solar cells components. The electronic structure and delocalization in benzo[1,2-:4,5-']bis([1,2,3]thiadiazole), 4-bromobenzo[1,2-:4,5-']bis([1,2,3]thiadiazole), and 4,8-dibromobenzo[1,2-:4,5-']bis([1,2,3]thiadiazole) were studied using X-ray diffraction analysis and ab initio calculations by EDDB and GIMIC methods and were compared to the corresponding properties of benzo[1,2-:4,5-']bis[1,2,5]thiadiazole (BBT). Calculations at a high level of theory showed that the electron affinity, which determines electron deficiency, of isoBBT was significantly smaller than that of BBT (1.

Optimization of spray dried yogurt and its application to prepare functional cookies.

Introduction: Spray-dried yogurt powder (SDYP) has shelf stability and other functional properties that improve solubility and facilitate the use, processing, packaging, and transportation of other food derivatives, such as bread and pastries on a large scale. The present research was conducted to develop SDYP and further its utilization to prepare functional cookies.

Methods: Yogurt was spray-dried by employing different outlet air temperatures (OAT) (65°C, 70°C & 75°C) and inlet air temperature (IAT) (150°C, 155°C & 160°C).

Iterative method for solving linear operator equation of the first kind.

In this work, we study the iterative method for solving linear operator equation of the first kind. We present a new version of method based on the applied the iterative performance on the modified Lavrentiev method. This method is used to resolve a linear operator problem of the first kind.

Sequence Variation of Candida albicans Sap2 Enhances Fungal Pathogenicity via Complement Evasion and Macrophage M2-Like Phenotype Induction.

Candida albicans (C. albicans) is an opportunistic pathogen increasingly causing candidiasis worldwide. This study aims to investigate the pattern of systemic immune responses triggered by C.

Corrosion Resistance of AlCoCrFeNiCuAg ( = 0.25, 0.5; = 0, 0.1) High-Entropy Alloys in 0.5M HSO Solution.

The electrochemical behavior of the as-cast AlCoCrFeNiCuAg ( = 0.25, 0.5; = 0, 0.

Atherosclerosis and Inflammation: Insights from the Theory of General Pathological Processes.

Recent advances have greatly improved our understanding of the molecular mechanisms behind atherosclerosis pathogenesis. However, there is still a need to systematize this data from a general pathology perspective, particularly with regard to atherogenesis patterns in the context of both canonical and non-classical inflammation types. In this review, we analyze various typical phenomena and outcomes of cellular pro-inflammatory stress in atherosclerosis, as well as the role of endothelial dysfunction in local and systemic manifestations of low-grade inflammation.

Palladium-Catalyzed Direct (Het)arylation Reactions of Benzo[1,2-d:4,5-d']bis([1,2,3]thiadiazole and 4,8-Dibromobenzo[1,2-d:4,5-d']bis([1,2,3]thiadiazole).

Palladium-catalyzed direct (het)arylation reactions of strongly electron-withdrawing tricyclic benzo[1,2-d:4,5-d']bis([1,2,3]thiadiazole) and its 4,8-dibromo derivative were studied; the conditions for the selective formation of mono- and bis-aryl derivatives were found. The reaction of 4,8-dibromobenzo[1,2-d:4,5-d']bis([1,2,3]thiadiazole) with thiophenes in the presence of palladium acetate as a catalyst and potassium pivalate as a base, depending on the conditions used, selectively gave both mono- and bis-thienylated benzo-bis-thiadiazoles in low to moderate yields; arenes were found to be inactive in these reactions. It was discovered that direct C-H arylation of benzo[1,2-d:4,5-d']bis([1,2,3]thiadiazole with bromo(iodo)arenes and -thiophenes in the presence of Pd(OAc)2 and di-tert-butyl(methyl)phosphonium tetrafluoroborate salt is a powerful tool for the selective formation of 4-mono- and 4,8-di(het)arylated benzo-bis-thiadiazoles.