Twisted Phenanthro[9,10-d]imidazole Derivatives as Non-doped Emitters for Efficient Electroluminescent Devices with Ultra-Deep Blue Emission and High Exciton Utilization Efficiency

Herein, two deep-blue emissive molecules ( SAF-PI and SAF-DPI ) are designed and synthesized using spiro[acridine-9,9’-fluorene] as a donor (D) substituted with 2-(3-methylphenyl)-1-phenyl-phenanthro[9,10-d]imidazole as an acceptor (A), forming twisted D−A and A−D−A structures, respectively. The photophysical studies and density functional theory (DFT) calculations reveal that both molecules exhibit hybridized local excited and charge transfer (HLCT) characteristics with deep blue emission color. They are effectively applied as non-doped emitters in OLEDs. Particularly, SAF-PI -based device achieves the high-definition television (HDTV) standard blue color emission peaked at 428 nm with CIE coordinate of (0.156, 0.053), a narrow full width at half maximum of 55 nm, a maximum external quantum efficiency (EQE_max) of 4.57% and an exciton utilization efficiency of 65%.     

Four New Anthraquinones with Histone Deacetylase Inhibitory Activity from Ventilago denticulata Roots

Chromatographic separation of the crude extracts from the roots of Ventilago denticulata led to the isolation of four new anthraquinones, ventilanones L–O (1–4), together with eight known anthraquinones (5–12). Their structures were elucidated by spectroscopic methods (UV, IR, ¹H NMR, ¹³C NMR, and 2D NMR) and mass spectrometry (MS), as well as comparison of their spectroscopic data with those reported in the literature. HDACs inhibitory activity evaluation resulted that compound 2 exhibited moderate antiproliferative activity against HeLa and A549 cell lines but nontoxic to normal cell. Molecular docking indicated the phenolic functionality of 2 plays crucial interactions with class II HDAC4 enzyme.     

A note on Ceng-Wang-Yao’s result [Strong convergence theorems by a relaxed extragradient method for a general system of variational inequalities,Math. Meth. Oper. Res. (2008) 67: 375–390]

In this paper, we give a short and simple proof of the recent result of Ceng et al. (Math Methods Oper Res 67(3):375–390, 2008).     

Strong convergence of Browder’s and Halpern’s type iterations in Hilbert spaces

We use results from theory of nonexpansive mappings to unify and deduce the recent results of Lin and Takahashi (Positivity 16:429–453, 2012) and of Takahashi (J Optim Theory Appl 157:781–802, 2013).     

Significance of Shape Factor in Heat Transfer Performance of Molybdenum-Disulfide Nanofluid in Multiple Flow Situations; A Comparative Fractional Study

In this modern era, nanofluids are considered one of the advanced kinds of heat transferring fluids due to their enhanced thermal features. The present study is conducted to investigate that how the suspension of molybdenum-disulfide (MoS2) nanoparticles boosts the thermal performance of a Casson-type fluid. Sodium alginate (NaAlg) based nanofluid is contained inside a vertical channel of width d and it exhibits a flow due to the movement of the left wall. The walls are nested in a permeable medium, and a uniform magnetic field and radiation flux are also involved in determining flow patterns and thermal behavior of the nanofluid. Depending on velocity boundary conditions, the flow phenomenon is examined for three different situations. To evaluate the influence of shape factor, MoS2 nanoparticles of blade, cylinder, platelet, and brick shapes are considered. The mathematical modeling is performed in the form of non-integer order operators, and a double fractional analysis is carried out by separately solving Caputo-Fabrizio and Atangana-Baleanu operators based fractional models. The system of coupled PDEs is converted to ODEs by operating the Laplace transformation, and Zakian’s algorithm is applied to approximate the Laplace inversion numerically. The solutions of flow and energy equations are presented in terms of graphical illustrations and tables to discuss important physical aspects of the observed problem. Moreover, a detailed inspection on shear stress and Nusselt number is carried out to get a deep insight into skin friction and heat transfer mechanisms. It is analyzed that the suspension of MoS2 nanoparticles leads to ameliorating the heat transfer rate up to 9.5%. To serve the purpose of achieving maximum heat transfer rate and reduced skin friction, the Atangana-Baleanu operator based fractional model is more effective. Furthermore, it is perceived that velocity and energy functions of the nanofluid exhibit significant variations because of the different shapes of nanoparticles.     

Structures and reaction mechanisms of glycerol dehydration over H-ZSM-5 zeolite: a density functional theory study

The initial stage of glycerol conversion over H-ZSM-5 zeolite has been investigated using density functional theory (DFT) calculations on an embedded cluster model consisting of 128 tetrahedrally coordinated atoms. It is found that glycerol dehydration to acrolein and acetol proceeds favourably via a stepwise mechanism. The formation of an alkoxide species upon the first dehydration requires the highest activation energy (42.5 kcal mol(-1)) and can be considered as the rate determining step of the reaction. The intrinsic activation energies for the first dehydration are virtually the same for both acrolein and acetol formation, respectively, suggesting the competitive removal of the primary and secondary OH groups. A high selectivity to acrolein at moderate temperatures can be attributed to the selective activation of the stronger adsorption mode of glycerol through the secondary OH group and the kinetically favoured subsequent consecutive steps. In addition, the less reactive nature of acrolein relative to acetol precludes it from being converted to other products upon conversion to glycerol. In accordance with typical endothermic reactions, the forward rate constant for glycerol dehydration significantly increases with increasing reaction temperature.     

Determination of Lead Employing Simple Flow Injection AAS with Monolithic Alginate-Polyurethane Composite Packed In-Valve Column

A simple flow injection FlameAAS for lead determination with an alginate-polyurethane composite (ALG-PUC) monolithic in-valve column has been developed. The ALG-PUC monolithic rod was prepared by mixing methylene diphenyl diisocyanate with polyol and sodium alginate with the ratio of 2:1:1 by weight for a 5 min polymerization reaction. It was then put into a column (0.8 cm i.d × 11 cm length) situated in a switching valve for the FI set up. A single standard calibration could be obtained by plotting the loaded µg Pb²⁺ vs. FI response (absorbances). The loaded µg Pb²⁺ is calculated: μg Pb²⁺ = FR_load × LT × C_Pb²⁺, where the FR load is the flow rate of the loading analyte solution (mL min⁻¹), LT is the loading time (min), and C_Pb²⁺ is the Pb²⁺ concentration (µg mL⁻¹). A linear calibration equation was obtained: FI response (absorbances) = 0.0018 [µg Pb²⁺] + 0.0032, R² = 0.9927 for 1–150 µg Pb²⁺, and RSD of less than 20% was also obtained. Application of the developed procedure has been demonstrated in real samples.     

Modified Natural Rubber as a Simple Chemical Sensor with Smartphone Detection for Formaldehyde Content in a Seafood Sample

A new biodegradable platform-based sensor for formaldehyde assay is proposed. Natural rubber latex was modified to polylactic acid–chloroacetated natural rubber polymer blend sheets. The polymer blend sheet was grafted using a water-based system with amine monomers as a platform, with a spot exhibiting positive polarity for immobilizing with anionic dye (Acid Red 27). The sensor was exposed to formaldehyde. The color intensity of the dye on the sensor spot would decrease. Using a smartphone with image processing (via ImageJ program), the color intensity change (∆B) could be followed. A linear calibration, ∆B intensity = 0.365 [FA] + 6.988, R² = 0.997, was obtained for 10–150 mM FA with LOD and LOQ at 3 and 10 mM, respectively (linear regression method). The precision was lower than 20% RSD. Application to real seafood samples was demonstrated. The ready-to-use sensor with the proposed method was cost-effective, was portable for on-site analysis, and demonstrated green chemical analysis.     

Phenolics with antiviral activity from Millettia erythrocalyx and Artocarpus lakoocha

From the leaves of Millettia erythrocalyx, a new flavone named 3',5'-dimethoxy-[2",3": 7,8]-furanoflavone and three known compounds were isolated. Assays for anti-herpes simplex virus activity (HSV-1 and HSV-2) were performed on 24 phenolic compounds obtained from M. erythrocalyx and Artocarpus lakoocha. It was found that the flavones ovalifolin, pongol methyl ether and millettocalyxin A, and the stilbene oxyresveratrol possessed moderate activity against both types of HSV. In addition, oxyresveratrol was evaluated for potential anti-HIV activity against a wild-type human immunodeficiency virus type 1 (HIV-1/LAI) isolate and was found to be a modest inhibitor of HIV (EC50 28.2 microM), showing no toxicity in PBM, CEM and Vero cells at 100 microM. The heartwood of A. lakoocha, which contains a large amount of oxyresveratrol, could be considered as a source of starting material for the development of new natural product-based anti-HSV and anti-HIV agents.     

Fixed point theorems for $$F_\mathfrak {R}$$-contractions with applications to solution of nonlinear matrix equations

In (Fixed Point Theory Appl 94:6, 2012), the author introduced a new kind of contractions, called F-contractions, that extended the Banach contractions in a newfangled way. In this work, we introduce the notion of \(F_\mathfrak {R}\)-contraction where \(\mathfrak {R}\) is a binary relation on its domain that has not to be neither transitive nor a partial order. Consequently, we establish some fixed point results for such contractions in complete metric spaces that improve the Wardowski’s original idea and we also give illustrative examples. Furthermore, we show some results to guarantee existence and uniqueness of fixed point of N-order. As an application, we apply our main result to study a class of nonlinear matrix equation.