Anti-inflammatory effect of water-soluble complex of 1′-acetoxychavicol acetate with highly branched β-1,3-glucan on contact dermatitis

The anti-inflammatory effect on contact dermatitis of the water solubilized 1′-Acetoxychavicol Acetate (ACA) by complexation with β-1,3-glucan isolated form Aureobasidium pullulans black yeast is reported. It is well-known that ACA possesses a function to inhibit the activation of NF-κB by which genes encoding proinflammatory cytokines, chemokines, and growth factors are regulated. However, because ACA is quite insoluble in water, its usefulness has been extremely limited. On the other hand, a triple-helical polysaccharide β-1,3-glucan can include hydrophobic compounds into intrastrand hydrophobic cavity and solubilize poorly water-soluble compounds. In this study, solubilization of ACA by complexation with highly branched β-1,3-glucan was achieved. The effect of anti-inflammatory response of water-soluble ACA complex with β-1,3-glucan was confirmed in vitro and in vivo.     

Cytotoxic polyhydroxylated pregnane glycosides from Cissampelos pareira var. hirsuta

Fourteen new polyhydroxylated pregnane glycosides, cissasteroid A–N (1–14), and five known analogues (15–19), were isolated from the dried whole plant of Cissampelos pareira var. hirsuta. Their structures and stereochemistry were elucidated by extensive spectroscopic data, chemical hydrolysis, and ECD measurements. All the compounds were tested for their cytotoxicity against five human cancer cell lines, and inhibitory activity against NO release in LPS-induced RAW 264.7 cells. Compared with cisplatin, compound 7 showed more potent cytotoxicities against the HL-60, A549, SMMC-7721, MCF-7, and SW480 cell lines, with IC₅₀ values of 2.19, 14.38, 2.00, 7.58, and 7.44 μM, respectively. The preliminary study of structure–activity relationship indicated that benzoic acid esterification at C-20 may have a negative effect on the cytotoxic activity of polyhydroxylated pregnane derivatives in these five human cancer cell lines. These results revealed the potential of compound 7 as an ideal antitumor lead compound.

Fourteen new polyhydroxylated pregnane glycosides, cissasteroid A–N (1–14), and five known analogues (15–19), were isolated from the dried whole plant of Cissampelos pareira var. hirsuta.     

Strategic tuning of excited-state properties of electroluminescent materials with enhanced hot exciton mixing

Deep blue emitters with excellent stability, high quantum yield and multifunctionality are the major issues for full-color displays. In line with this, new multifunctional, thermally stable blue emitters viz., N-(4-(10-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-phenanthro[9,10-d]imidazol-2-yl)anthracen-9-yl)phenyl)-N-phenylbenzenamine (DPIAPPB) and 2-(10-(9H-carbazol-9-yl)anthracen-9-yl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-phenanthro[9,10-d]imidazole (CADPPI) with hybridized local charge transfer state (HLCT) and hot exciton properties have been synthesized. These molecules show high photoluminescence quantum yield (Φ_s/f): (DPIAPPB – 0.82/0.70 and CADPPI – 0.91/0.83). The CADPPI based device (EL – 467 nm) shows high efficiencies [η_c – 9.85 cd A⁻¹; η_p – 10.84 lm W⁻¹; η_ex – 4.78% at 2.8 V; CIE (0.15, 0.10)] compared to the DPIAPPB device (EL − 472 nm) [η_c – 6.56 cd A⁻¹; η_p – 6.16 lm W⁻¹; η_ex – 4.15% at 2.8 V with CIE (0.15, 0.12)]. The green device with CADPPI:Ir(ppy)₃ exhibits a maximum L – 59 012 cd m⁻²; η_ex – 16.8%; η_c – 37.3 cd A⁻¹; η_p – 39.8 lm W⁻¹ with CIE (0.30, 0.60) and the red device with CADPPI:Ir(MDQ)₂(acac) shows a maximum L – 43 456 cd m⁻²; η_ex – 21.9%; η_c – 36.0 cd A⁻¹; η_p – 39.6 lm W⁻¹ with CIE (0.64, 0.35).

The CADPPI:Ir(ppy)₃ device exhibits L – 90 12 cd m⁻²; η_ex – 18.8%; η_c − 27.3 cd A⁻¹; η_p – 29.8 lm W⁻¹; CIE (0.30, 0.60).     

Studies on the immunochemistry of human low density lipoproteins utilizing an hemagglutination technique

Hemagglutination is a specific and sensitive technique for investigating the purity of lipoproteins and the immunologic relationships between low density lipoprotein fractions. The S_f 10–400 and S_f 3–9 lipoprotein fractions, isolated from human serum by dextran sulfate-density gradient centrifugation procedure and repurified by centrifugation appeared to contain only lipoprotein antigens since these fractions did not stimulate the production of antibodies against other serum proteins. Cross-absorption experiments with lipoproteins carried on "tanned" cells demonstrated that the S_f 3–9 lipoprotein fraction contains all the antigenic components of the S_f 10–400 lipoprotein fraction together with additional antigenic components not found in the S_f 10–400 lipoprotein fraction. Thus S_f 3–9 and S_f 10–400 lipoprotein fractions are immunologically similar but not identical. Low density lipoproteins contain no antigens in common with the high density lipoproteins. An S_f 3–9 antiserum can be used to detect both S_f 3–9 and S_f 10–400 antigens. The S_f 3–9 lipoprotein fraction used as an antigen will detect antibodies against both S_f 3–9 and S_f 10–400 lipoprotein fractions. The S_f 3–9 and S_f 10–400 antisera did not contain immune antibodies against erythrocytes of the different blood groups or against sheep, guinea pig, dog, calf, pig, horse, and chicken erythrocytes. Normal subjects and subjects with recent myocardial infarctions had no circulating autoantibodies against the S_f 3–9 and S_f 10–400 lipoprotein fractions.     

Analysis based on scaling relations of critical behaviour at PM–FM phase transition and universal curve of magnetocaloric effect in selected Ag-doped manganites

The critical behaviour of Pr_0.5Sr_0.5−xAg_xMnO₃ (0 ≤ x ≤ 0.2) samples around the paramagnetic–ferromagnetic phase transition is studied based on isothermal magnetization measurements. The assessments based on Banerjee''s criteria reveal the samples undergoing a second-order magnetic phase transition. Various techniques such as modified Arrott plot, Kouvel–Fisher method, and critical isotherm analysis were used to determine the values of the ferromagnetic transition temperature T_C, as well as the critical exponents of β, γ and δ. The values of critical exponents, derived from the magnetization data using the Kouvel–Fisher method, are found to be (β = 0.43 ± 0.002, 0.363 ± 0.068 and 0.328 ± 0.012), (γ = 1.296 ± 0.007, 1.33 ± 0.0054 and 1.236 ± 0.012) for x = 0.0, 0.1 and 0.2, respectively. This implies that the Pr_0.5Sr_0.5−xAg_xMnO₃ with 0 ≤ x ≤ 0.2 systems does not belong to a single universality class and indicates that the presence of magnetic disorder in the system must be taken into account to fully describe the microscopic interaction of these manganites. With these values, magnetic-field dependences of magnetization at temperatures around T_C can be well described following a single equation of state for our samples. From magnetic entropy change (ΔS_M), it was possible to evaluate the critical exponents of the magnetic phase transitions. Their values are in good agreement with those obtained from the critical exponents using a modified Arrott plot (MAP). We used the scaling hypotheses to scale the magnetic entropy change and heat capacity changes to a universal curve respectively for Pr_0.5Sr_0.5−xAg_xMnO₃ samples.

The universal curves of magnetic entropy changes and heat capacity changes for Pr_0.5Sr_0.5−xAg_xMnO₃ (0 ≤ x ≤ 0.2) are obtained by using the critical exponents.     

Kinetic coherence underlies the dynamics of disordered proteins

The dynamics of two proteins of similar size, the globular lysozyme and the intrinsically disordered Huntingtin interacting protein, has been simulated in three states resembling a globule, a pre-molten globule, and a molten globule. A coherence time τ has been defined, measuring the delay in the display of a stochastic behaviour after a perturbation of the system. This time has been computed for two sets of collective variables: the projection of the phase point onto the positions and momenta subspaces (τ_r and τ_p), and the principal components (PCs) of positions q and momenta π produced by a covariance analysis in these subspaces (τ_q and τ_π). In all states τ_p ≈ 3.5τ_r, and τ_π ≈ 3.5τ_q. The coherence times of individual PCs, τ^(l)_q and τ^(l)_π, have also been computed, and τ^(l)_π > τ^(l)_q in all states. The prevalence of τ_p over τ_r, or of τ_π over τ_q, drives the dynamics of the protein over a time range of ≈1–2 ps; moreover, a hidden synchronism appears to raise the momenta subspace''s coherence above that of its individual PCs. In the transition of lysozyme to the molten globule the τ^(l)_q decrease but, unexpectedly, the τ^(l)_π increase; after this transition τ_p ≈ 5τ_r and τ_π ≈ 5τ_q. A gain of kinetic coherence accompanies thus the loss of structural coherence caused by the denaturation of the protein in the transition from globule to molten globule. The increase of the τ^(l)_π does not take place in the analogous transition of the Huntingtin protein. These results are compared with those of a similar analysis performed on three pseudo-proteins designed by scrambling the primary sequence of the Huntingtin interacting protein, and on two oligopeptides. The hidden synchronism appears to be a generic property of these polypeptides. The τ^(l)_π spectrum is similar in denaturated and in intrinsically disordered biomolecules; but the gain of kinetic coherence as a result of denaturation seems to be a specific property of the biologically functional lysozyme.

In the phase space of a globular or intrinsically disordered protein, the momenta''s dynamics is less chaotic than the coordinates'' dynamics. When a protein is denaturated, a gain in kinetic coherence accompanies the loss of structural coherence.     

Single crystal growth and structure analysis of type-I (Na/Sr)–(Ga/Si) quaternary clathrates

Single crystals of (Na/Sr)–(Ga/Si) quaternary type-I clathrates, Na_8−ySr_yGa_xSi_46−x, were synthesized by evaporating Na from a mixture of Na–Sr–Ga–Si–Sn in a 6 : 0.5 : 1 : 2 : 1 molar ratio at 773 K for 12 h in an Ar atmosphere. Electron-probe microanalysis and single-crystal X-ray diffraction revealed that three crystals from the same product were Na_8−ySr_yGa_xSi_46−x with x and y values of 7.6, 2.96; 8.4, 3.80; and 9.1, 4.08. It was also shown that increasing the Sr and Ga contents increased the electrical resistivity of the crystal from 0.34 to 1.05 mΩ cm at 300 K.

Single crystals of (Na/Sr)–(Ga/Si) quaternary type-I clathrates, Na_8−ySr_yGa_xSi_46−x, were synthesized by evaporating Na from a mixture of Na–Sr–Ga–Si–Sn in a 6 : 0.5 : 1 : 2 : 1 molar ratio at 773 K for 12 h in an Ar atmosphere.     

Sensitivity of frequency-domain optical measurements to brain hemodynamics: simulations and human study of cerebral blood flow during hypercapnia

This study characterizes the sensitivity of noninvasive measurements of cerebral blood flow (CBF) by using frequency-domain near-infrared spectroscopy (FD-NIRS) and coherent hemodynamics spectroscopy (CHS). We considered six FD-NIRS methods: single-distance intensity and phase (SDI and SDϕ), single-slope intensity and phase (SSI and SSϕ), and dual-slope intensity and phase (DSI and DSϕ). Cerebrovascular reactivity (CVR) was obtained from the relative change in measured CBF during a step hypercapnic challenge. Greater measured values of CVR are assigned to a greater sensitivity to cerebral hemodynamics. In a first experiment with eight subjects, CVR_SDϕ was greater than CVR_SDI (p < 0.01), whereas CVR_DSI and CVR_DSϕ showed no significant difference (p > 0.5). In a second experiment with four subjects, a 5 mm scattering layer was added between the optical probe and the scalp tissue to increase the extracerebral layer thickness (L_ec), which caused CVR_DSϕ to become significantly greater than CVR_DSI (p < 0.05). CVR_SS measurements yielded similar results as CVR_DS measurements but with a greater variability, possibly resulting from instrumental artifacts in SS measurements. Theoretical simulations with two-layered media confirmed that, if the top (extracerebral) layer is more scattering than the bottom (brain) layer, the relative values of CVR_DSI and CVR_DSϕ depend on L_ec. Specifically, the sensitivity to the brain is greater for DSI than DSϕ for a thin extracerebral layer (L_ec < 13 mm), whereas it is greater for DSϕ than DSI for a thicker extracerebral layer.     

Microstructural analysis,magnetic properties,magnetocaloric effect,and critical behaviors of Ni0.6Cd0.2Cu0.2Fe2O4 ferrites prepared using the sol–gel method under different sintering temperatures

This work focuses on the microstructural analysis, magnetic properties, magnetocaloric effect, and critical exponents of Ni_0.6Cd_0.2Cu_0.2Fe₂O₄ ferrites. These samples, denoted as S1000 and S1200, were prepared using the sol–gel method and sintered separately at 1000 °C and 1200 °C, respectively. XRD patterns confirmed the formation of cubic spinel structures and the Rietveld method was used to estimate the different structural parameters. The higher sintering temperature led to an increased lattice constant (a), crystallite size (D), magnetization (M), Curie temperature (T_C), and magnetic entropy change (−ΔS_M) for samples that exhibited second-order ferromagnetic–paramagnetic (FM–PM) phase transitions. The magnetic entropy changed at an applied magnetic field (μ₀H) of 5 T, reaching maximum values of about 1.57–2.12 J kg⁻¹ K⁻¹, corresponding to relative cooling powers (RCPs) of 115 and 125 J kg⁻¹ for S1000 and S1200, respectively. Critical exponents (β, γ, and δ) for samples around their T_C values were studied by analyzing the M(μ₀H, T) isothermal magnetizations using different techniques and checked by analyzing the −ΔS_Mvs. μ₀H curves. The estimated values of β and γ exponents (using the Kouvel–Fisher method) and δ exponent (from M(T_C, μ₀H) critical isotherms) were β = 0.443 ± 0.003, γ = 1.032 ± 0.001, and δ = 3.311 ± 0.006 for S1000, and β = 0.403 ± 0.008, γ = 1.073 ± 0.016, and δ = 3.650 ± 0.005 for S1200. Obviously, these critical exponents were affected by an increased sintering temperature and their values were different to those predicted by standard theoretical models.

This work focuses on the microstructural analysis, magnetic properties, magnetocaloric effect, and critical exponents of Ni_0.6Cd_0.2Cu_0.2Fe₂O₄ ferrites.     

Catalytic oxidation of NO over MnOx–CoOx/TiO2 in the presence of a low ratio of O3/NO: activity and mechanism

In order to broaden the temperature range of NO oxidation reaction in flue gas and maintain high oxidation efficiency, various loading amounts of MnO_x–CoO_x/TiO₂ mesoporous catalysts were tested in the catalytic oxidation of NO. It was found that 15%MnO_x–CoO_x(2 : 1)/TiO₂ demonstrated the best adsorption performance to oxygen species and contained more oxygen vacancies, as well as the best surface oxygen mobility, thus exhibiting excellent NO catalytic oxidation activity. O₃ (O₃/NO < 1) combined with 15%MnO_x–CoO_x(2 : 1)/TiO₂ improved the oxidation efficiency of NO at 50–400 °C, especially below 250 °C. When the temperatures were less than 250 °C, the oxidation efficiencies of NO by O₃ over 15%MnO_x–CoO_x(2 : 1)/TiO₂ were 5–13% higher than the calculated theoretical efficiencies. This indicated that there was a synergistic effect between O₃ and 15%MnO_x–CoO_x(2 : 1)/TiO₂ below 250 °C. Based on the results of in situ DRIFTS studies, it was deduced that monodentate nitrates were the main intermediates that produced a synergistic effect due to the introduction of O₃. In addition, O₃ accelerated the transformation between nitrate species, decreased the decomposition temperature of nitrate species, and inhibited the accumulation of nitrate ions, thus improving the oxidation efficiency of NO.

O₃ promotes the formation of monodentate nitrates at low temperature, thus improving the efficiency of NO oxidation.     

Effect of Bi2O3 content on the microstructure and electrical properties of SrBi2Nb2O9 piezoelectric ceramics

Lead-free ceramics, SrBi₂Nb₂O₉–xBi₂O₃ (SBN–xBi), with different Bi contents of which the molar ratio, n(Sr) : n(Bi) : n(Nb), is 1 : 2(1 + x/2) : 2 (x = −0.05, 0.0, 0.05, 0.10), were prepared by conventional solid-state reaction method. The effect of excess bismuth on the crystal structure, microstructure and electrical properties of the ceramics were investigated. A layered perovskite structure without any detectable secondary phase and plate-like morphologies of the grains were clearly observed in all samples. The value of the activation energy suggested that the defects in samples could be related to oxygen vacancies. Excellent electrical properties (e.g., d₃₃ = 18 pC N⁻¹, 2P_r = 17.8 μC cm⁻², ρ_rd = 96.4% and T_c = 420 °C) were simultaneously obtained in the ceramic where x = 0.05. Thermal annealing studies indicated the SBN–xBi ceramics system possessed stable piezoelectric properties, demonstrating that the samples could be promising candidates for high-temperature applications.

Lead-free ceramics, SrBi₂Nb₂O₉–xBi₂O₃ (SBN–xBi), with different Bi contents of which the molar ratio, n(Sr) : n(Bi) : n(Nb), is 1 : 2(1 + x/2) : 2 (x = −0.05, 0.0, 0.05, 0.10), were prepared by conventional solid-state reaction method.     

Significantly improved dielectric properties of multiwall carbon nanotube-BaTiO3/PVDF polymer composites by tuning the particle size of the ceramic filler

The effects of different BaTiO₃ sizes (≈100 nm (nBT) and 0.5–1.0 μm (μBT)) on the dielectric and electrical properties of multiwall carbon nanotube (CNT)-BT/poly(vinylidene fluoride) (PVDF) composites are investigated. The fabricated three-phase composites using 20 vol% BT with various CNT volume fractions (f_CNT) are systematically characterized. The dielectric permittivity (ε′) of the CNT-nBT/PVDF and CNT-μBT/PVDF composites rapidly increases when f_CNT > 0.015 and f_CNT > 0.017, respectively. The former is accompanied by the dramatic increase in the loss tangent (tan δ) and conductivity (σ), but surprisingly, not for the latter. At 10³ Hz, the low tan δ and σ values of the CNT-μBT/PVDF composite are about 0.06 and 6.82 × 10⁻⁹ S cm⁻¹, while its ε′ value is greatly enhanced (≈154.6). The variation of the dielectric permittivity with f_CNT for both composite systems follows the percolation model with percolation thresholds of f_c = 0.018 and f_c = 0.02, respectively. With further increasing f_CNT to 0.02, ε′ is greatly increased to 253.8, while tan δ ≤ 0.1. Without μBT particles, the ε′ and tan δ values of the CNT/PVDF composite with f_CNT = 0.02 are as high as ≈240 and >10³, respectively. Greatly enhanced dielectric properties are described in detail.

The effects of different BaTiO₃ sizes (≈100 nm (nBT) and 0.5–1.0 μm (μBT)) on the dielectric and electrical properties of multiwall carbon nanotube (CNT)-BT/poly(vinylidene fluoride) (PVDF) composites are investigated.     

Correlations of obstetric anal sphincter injury (OASIS) grade,specific symptoms of anal incontinence,and measurements by endoanal and transperineal ultrasound

PurposeThe aim of the study was to investigate the association between the initial grade of obstetrical anal sphincter injury (OASIS), and Wexner score parameters, with ultrasonographic findings by endoanal ultrasound (EAUS, golden standard) and transperineal ultrasound (TPUS) 6 months post-partum.MethodsFifty-nine women after primary repair of OASIS were included at Helsingborg Hospital, Sweden, 2016–2017. Six months post-partum the women filled in a questionnaire regarding symptoms of anal incontinence by the Wexner score and were scanned with EAUS and TPUS (resting state and contracting state) for classification of the residual defect by a modified Starck score.ResultsCorrelations were found between the OASIS grade and residual defects; length (r_s = 0.41, P = 0.003), depth (r_s = 0.38, P = 0.006) and angle (r_s = 0.40, P = 0.004) of the external anal sphincter (EAS) measured with TPUS in resting state. Using EAUS, correlation between OASIS grade and EAS depth (r_s = 0.35, P = 0.007) and angle (r_s = 0.37, P = 0.004) were similar, but there was no correlation with length (r_s = 0.20, P = 0.14). Between incontinence to gas and the angle of the residual defect in the IAS using TPUS in resting state, correlation was moderate (r_s = 0.42, P = 0.003). Regarding incontinence to liquid stool, measurements by TPUS in resting state of EAS residual defect depth (r_s = 0.46, P < 0.001) and angle (r_s = 0.44, P = 0.001) also correlated moderately. Both corresponding correlations using EAUS were weaker.ConclusionDefects measured with EAUS and TPUS six months post-partum correlated to initial OASIS grade and symptoms of anal incontinence. Specific symptoms correlated with specific anatomical defects, and TPUS was not an inferior method to EAUS.     

Theory-based analysis of clinical efficacy of triptans using receptor occupancy

Background

Triptans, serotonin 5-HT_1B/1D receptor agonists, exert their action by targeting serotonin 5-HT_1B/1D receptors, are used for treatment of migraine attack. Presently, 5 different triptans, namely sumatriptan, zolmitriptan, eletriptan, rizatriptan, and naratriptan, are marketed in Japan. In the present study, we retrospectively analyzed the relationships of clinical efficacy (headache relief) in Japanese and 5-HT_1B/1D receptor occupancy (Φ_1B and Φ_1D). Receptor occupancies were calculated from both the pharmacokinetic and pharmacodynamic data of triptans.

Methods

To evaluate the total amount of exposure to drug, we calculated the area under the plasma concentration-time curve (AUC_cp) and the areas under the time curves for Ф_1B and Ф_1D (AUC_Ф^1B and AUC_Ф^1D). Moreover, parameters expressing drug transfer and binding rates (A _cp , A _Ф ^1B , A _Ф ^1D ) were calculated.

Results

Our calculations showed that Ф_max^1B and Ф_max^1D were relatively high at 32.0-89.4% and 68.4-96.2%, respectively, suggesting that it is likely that a high occupancy is necessary to attain the clinical effect. In addition, the relationships between therapeutic effect and AUC_cp, AUC_Φ^1B, AUC_Φ^1D, and A _cp  · AUC_cp differed with each drug and administered form, whereas a significant relationship was found between the therapeutic effect and A _Φ ^1B  · AUC_Φ^1B or A _Φ ^1D  · AUC_Φ^1D that was not affected by the drug and the form of administration.

Conclusions

These results suggest that receptor occupancy can be used as a parameter for a common index to evaluate the therapeutic effect. We considered that the present findings provide useful information to support the proper use of triptans.     

Efficient fluorescent OLEDS based on assistant acceptor modulated HLCT emissive state for enhancing singlet exciton utilization

Phenylamine phenanthroimidazole based bipolar compounds with donor–acceptor (D–A) architecture namely, 4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-6,9-di(pyren-4-yl)-1H-phenanthro[9,10-d]imidazol-2-yl)-N,N-diphenylaniline (DDPPPA) and 4′-(1-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-6,9-di(pyren-4-yl)-1H-phenanthro[9,10-d]imidazol-2-yl)-N,N-diphenyl-[1,1′-biphenyl]-4-amine (DDPBA) have been synthesized with highly fluorescent pyrene moieties at C6- and C9-positions. The C6 and C9 modification enhanced the thermal, photochemical and electroluminescent properties. Both molecules were employed as blue emitters in non doped organic light emitting devices (OLEDs) and show high performances due to hybridized local and charge-transfer properties. An OLED with DDPPPA/DDPBA emissive layer shows deep-blue emission with maximum external quantum efficiency (η_ex), current efficiency (η_c) and power efficiency (η_p) of 5.7/6.0%, 10.5/12.0 cd A⁻¹ and 8.3/9.2 lm W⁻¹, respectively. Both devices show high singlet exciton utilizing efficiency (η_s) of DDPPPA-31.33% and DDPBA-35.29%. The doped device m-MTDATA:DDPPPA/m-MTDATA:DDPBA shows maximum efficiencies of η_c −7.4/8.23 cd A⁻¹; η_p −5.8/6.13 lm W⁻¹; η_ex −4.72/5.63% (5 wt%):η_c −8.36/9.15 cd A⁻¹; η_p −6.32/6.65 lm W⁻¹; η_ex −4.86/5.45% (10 wt%):η_c −9.58/10.02 cd A⁻¹; η_p −7.8/8.25 lm W⁻¹; η_ex −5.96/6.25% (20 wt%). The doped device based on TAPC host TAPC:DDPPPA/TAPC:DDPBA exhibits maximum efficiencies of η_c −9.60/10.03 cd A⁻¹; η_p −7.81/8.26 lm W⁻¹; η_ex −5.96/6.25% (20 wt%).

OLED with C6/C9 substituted phenanthroimidazoles (DDPPPA/DDPBA) show blue emission with maximum external quantum efficiency (η_ex), current efficiency (η_c) and power efficiency (η_p) of 5.7/6.0%, 10.5/12.0 cd A⁻¹ and 8.3/9.2 lm W⁻¹, respectively.     

Insight into the exemplary structural,elastic, electronic and optical nature of GaBeCl3 and InBeCl3: a DFT study

In the scheme of density functional theory (DFT), Structural, elastic, electronic, and optical properties calculations of GaBeCl₃ and InBeCl₃ are carried out using Tran–Blaha modified Becke–Johnson exchange potential approximation (TB-mBJ) installed in Wein2k software. Structurally the compounds of interest are found to be stable. Both compounds possess elastic stability, anisotropy, and ductility determined by the elastic studies. The electronic-band structure analysis shows the semiconductor nature of GaBeCl₃ and InBeCl₃ compounds with indirect band gaps of ∼3.08 eV for GaBeCl₃ and ∼2.04 eV for InBeCl₃ along with the symmetrical points from (X–Γ). The calculated total density of states (TDOS) and partial density of states (PDOS) of these compounds reveal that for the GaBeCl₃ compound, the contribution of Ga (4p) and Cl (3p) orbital states in the valence, as well as the conduction band, is dominant. While for InBeCl₃, the contribution of Cl (3p) states as well as In (5s) is large in the valence band and in that of Cl (3p-states) states in the conduction band. The type of chemical bonding is found to be ionic in both compounds. The optical properties i.e., the real (ε₁(ω)) and imaginary (ε₂(ω)) parts of dielectric function, refractive index n(ω), optical reflectivity R(ω), optical conductivity σ(ω), absorption coefficient α(ω), energy loss L(ω) and electron extinction coefficient k(ω) are also discussed in terms of optical spectra. It is reported that n(ω) and k(ω) exhibit the same characteristics as ε₁(ω) and ε₂(ω) respectively. Efficient application of these materials can be seen in semiconducting industries and many modern electronic devices.

In the scheme of density functional theory (DFT), Structural, elastic, electronic, and optical properties calculations of GaBeCl₃ and InBeCl₃ are carried out using Tran–Blaha modified Becke–Johnson exchange potential approximation (TB-mBJ) installed in Wein2k software.     

Efficient electroluminescent hybridized local and charge-transfer host materials with small singlet–triplet splitting to enhance exciton utilization efficiency: excited state transition configuration

A series of efficient electroluminescent materials with dual carrier transport properties shows enhanced singlet exciton utilization (η_s) due to small singlet–triplet splitting (ΔE_ST). The strong orbital-coupling transitions of N-(4-(1-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4,5-diphenyl-1H-imidazol-2-yl)naphthalen-4-yl)phenyl)-N-phenyl benzenamine (DDPB) exhibit deep blue emission at 435 nm (CIEy, 0.07) with an external quantum efficiency of 2.01%. The electroluminescent efficiencies of 2-(1-(9H-carbazol-9-yl)naphthalen-4-yl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-phenanthro[9,10-d]imidazole (CDDPI) (L – 3992 cd m⁻²; η_ex – 3.01%; η_c – 2.56 cd A⁻¹; η_p – 2.12 lm W⁻¹) are higher than those of the N-(4-(1-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-H-phenanthro[9,10-d]imidazole-2-yl)naphthalen-4-yl)phenyl)-N-phenylbenzenamine (DBDPA) based device (L – 3015 cd m⁻²; η_ex – 2.85%; η_c – 2.01 cd A⁻¹; η_p – 1.92 lm W⁻¹). The blue emissive materials CDDPI and DBDPA are used as a host to construct green and red phosphorescent OLEDs: the green device based on CDDPI:Ir(ppy)₃ exhibits higher efficiencies (L – 8812 cd m⁻²; η_ex – 19.0%; η_c – 27.5 cd A⁻¹; η_p – 33.0 lm W⁻¹) at 2.7 V and the red device based on CDDPI:Ir(MQ)₂(acac) exhibits a maximum luminance of 39 661 cd m⁻² with excellent EL efficiencies [η_ex – 19.2%; η_c – 27.9 cd A⁻¹; η_p – 29.2 lm W⁻¹; CIE (0.64, 0.34)] compared with those of the DBDPA:Ir(MQ)₂(acac) based device [L – 37 621 cd m⁻²; η_ex – 18.5%; η_c – 25.2 cd A⁻¹; η_p – 25.8 lm W⁻¹; CIE (0.64, 0.34)].

CDDPI:Ir(ppy)₃ exhibits higher efficiencies: L = 8812 cd m⁻²; η_ex = 19.0%; η_c = 27.5 cd A⁻¹; η_p = 33.0 lm W⁻¹ at 2.7 V.     

Arrangement of water molecules and high proton conductivity of tunnel structure phosphates,KMg1−xH2x(PO3)3·yH2O

A fast proton conductor was investigated in a mixed-valence system of phosphates with a combination of large cations (K⁺) and small cations (Mg²⁺), which resulted in a new phase with a tunnel structure suitable for proton conduction. KMg_1−xH_2x(PO₃)₃·yH₂O was synthesized by a coprecipitation method. A solid solution formed in the range of x = 0–0.18 in KMg_1−xH_2x(PO₃)₃·yH₂O. The structure of the new proton conductor was determined using neutron and X-ray diffraction measurements. KMg_1−xH_2x(PO₃)₃·yH₂O has a tunnel framework composed of face-shared (KO₆) and (MgO₆) chains, and PO₄ tetrahedral chains along the c-direction by corner-sharing. Two oxygen sites of water molecules were detected in the one-dimensional tunnel, one of which exists as a coordination water of K⁺ sites. Multi-step dehydration was observed at 30 °C and 150 °C from thermogravimetric/differential thermal analysis measurements, which reflects the different coordination environments of the water of crystallization. Water molecules are connected to PO₄ tetrahedra by hydrogen bonds and form a chain along the c-axis in the tunnel, which would provide an environment for fast proton conduction associated with water molecules. The KMg_1−xH_2x(PO₃)₃·yH₂O sample with x = 0.18 exhibited high proton conductivity of 4.5 × 10⁻³ S cm⁻¹ at 150 °C and 7.0 × 10⁻³ S cm⁻¹ at 200 °C in a dry Ar gas flow and maintained the total conductivity above 10⁻³ S cm⁻¹ for 60 h at 150 °C under N₂ gas atmosphere.

A fast proton conductor exhibiting high proton conductivity of 7.0 × 10⁻³ S cm⁻¹ at 200 °C in a dry Ar gas flow was developed by designing water chains in a rigid tunnel framework.     

Magnetic entropy table-like shape and enhancement of refrigerant capacity in La1.4Ca1.6Mn2O7–La1.3Eu0.1Ca1.6Mn2O7 composite

In this work, we have investigated the structural, magnetic and magnetocaloric properties of La_1.4Ca_1.6Mn₂O₇ (A) and La_1.3Eu_0.1Ca_1.6Mn₂O₇ (B) oxides. These compounds are synthesized by a solid-state reaction route and indexed with respect to Sr₃Ti₂O₇-type perovskite with the I4/mmm space group. The substitution of La by 10% Eu enhances the value of magnetization and reduces the Curie temperature (T_C). It is also shown that these compounds undergo a first-order ferromagnetic–paramagnetic phase transition around their respective T_C. The investigated samples show large magnetic entropy change (ΔS_M) produced by the sharp change of magnetization at their Curie temperatures. An asymmetric broadening of the maximum of ΔS_M with increasing field is observed in both samples. This behaviour is due to the presence of metamagnetic transition. The ΔS_M(T) is calculated for A_x/B_1−x composites with 0 ≤ x ≤ 1. The optimum ΔS_M(T) of the composite with x = 0.48 approaches a nearly constant value showing a table-like behaviour under 5 T. To test these calculations experimentally, the composite with nominal composition A_0.48/B_0.52 is prepared by mixing both individual samples A and B. Magnetic measurements show that the composite exhibits two successive magnetic transitions and possesses a large MCE characterized by two ΔS_M(T) peaks. A table-like magnetocaloric effect is observed and the result is found to be in good agreement with the calculations. The obtained ΔS_M(T) is ≈4.07 J kg⁻¹ K⁻¹ in a field change of 0–5 T in a wide temperature span over ΔT_FWHM ∼ 68.17 K, resulting in a large refrigerant capacity value of ≈232.85 J kg⁻¹. The MCE in the A_0.48/B_0.52 has demonstrated that the use of composite increases the efficiency of magnetic cooling with μ₀H = 5 T by 23.16%. The large ΔT_FWHM and RC values together with the table-like (−ΔS_M)^max feature suggest that the A_0.48/B_0.52 composite can meet the requirements of several magnetic cooling composites based on the Ericsson-cycle. In addition, we show that the magnetic field dependence of MCE enables a clear analysis of the order of phase transition. The exponent N presents a maximum of N > 2 for A, B and A_0.48/B_0.52 samples confirming a first-order paramagnetic–ferromagnetic transition according to the quantitative criterion. The negative slope observed in the Arrott plots of the three compounds corroborates this criterion.

In this work, we have investigated the structural, magnetic and magnetocaloric properties of La_1.4Ca_1.6Mn₂O₇ (A) and La_1.3Eu_0.1Ca_1.6Mn₂O₇ (B) oxides.