Modeling of quantitative relationships between physicochemical properties of active pharmaceutical ingredients and tensile strength of tablets using a boosted tree

Objectives: The aim of this study was to explore the potential of boosted tree (BT) to develop a correlation model between active pharmaceutical ingredient (API) characteristics and a tensile strength (TS) of tablets as critical quality attributes.

Methods: First, we evaluated 81 kinds of API characteristics, such as particle size distribution, bulk density, tapped density, Hausner ratio, moisture content, elastic recovery, molecular weight, and partition coefficient. Next, we prepared tablets containing 50% API, 49% microcrystalline cellulose, and 1% magnesium stearate using direct compression at 6, 8, and 10?kN, and measured TS. Then, we applied BT to our dataset to develop a correlation model. Finally, the constructed BT model was validated using k-fold cross-validation.

Results: Results showed that the BT model achieved high-performance statistics, whereas multiple regression analysis resulted in poor estimations. Sensitivity analysis of the BT model revealed that diameter of powder particles at the 10th percentile of the cumulative percentage size distribution was the most crucial factor for TS. In addition, the influences of moisture content, partition coefficients, and modal diameter were appreciably meaningful factors.

Conclusions: This study demonstrates that BT model could provide comprehensive understanding of the latent structure underlying APIs and TS of tablets.     

Local structure and photocatalytic property of sol–gel synthesized ZnO doped with transition metal oxides

ZnO nanoparticles doped with up to 5 at% of Co and Mn were prepared using a co-precipitation method. The location of dopant ions and the effect of doping on the photocatalytic activity were investigated. The crystal structure of nanoparticles and local atomic arrangements around dopant ions were analyzed by X-ray absorption spectroscopy. The results showed that the Co ions substituted the Zn ions in the ZnO wurtzite phase structure and induced lattice shrinkage, while Mn ions were not completely incorporated in the crystal lattice. The photocatalytic activity under simulated sunlight was characterized by the decomposition of Rhodamine B dye molecules. It was revealed that Co-doping strongly reduced the photocatalytic activity but Mn-doping showed a weaker effect on the reduction of the photoactivity.     

Antitermitic activity of extracts from Chamaecyparis obtusa branch heartwood

The antitermitic activity of extracts from the branch heartwood of Chamaecyparis obtusa (hinoki) against Japanese termites (Reticulitermes speratus) was compared with that of the trunk. Samples of branch and trunk heartwood were extracted with n-hexane, ethyl acetate, and methanol successively. n-Hexane extracts of branch and trunk heartwood were strongly antitermitic, and branch heartwood contained greater quantities of active n-hexane extracts than trunk heartwood. Germacra-1-(10), 5-dien-4β-ol, t-cadinol, α-cadinol, hinokiresinol, and hinokinin were separated from the branch extracts and the termiticidal and antifeedant activity of these compounds was tested by no-choice and dual-choice test methods. The sesquiterpenoids, germacra-1-(10), 5-dien-4β-ol, t-cadinol and α-cadinol were strongly termiticidal. The norlignan hinokiresinol and lignan hinokinin had weak termiticidal, and strong antifeedant and repellent activity. High concentrations of germacra-1-(10), 5-dien-4β-ol and hinokiresinol were present in branch heartwood. These compounds protect hinoki branches from termites and other harmful organisms. Hinoki branch heartwood, which is usually unused, is a potential source of active antitermitic compounds.     

Connection‐Strength Estimation of Neuronal Networks by Fitting for Izhikevich Model

Recently, there has been abundant research using multineuron recording, but there are many problems with extracting the features from the obtained spike time series, which are huge in volume and complex. Here we introduce a new method of estimating synaptic connection strengths between neurons by fitting to the Izhikevich model by maximum likelihood estimation. We demonstrate that our method can estimate connection strengths from spike time series given by a simulated neural ensemble and can estimate nonconnectivity between two independent cultured neuronal networks. These results suggest that our method is applicable to network and plasticity analysis of neuronal networks.     

铭琪加特纳维尔癌症关顾中心

正铭琪癌症关顾中心旨在为癌症患者以及他们的家人和朋友提供实际上和情绪上的支援服务。自1996年第一所铭琪中心在爱丁堡成立以来,铭琪癌症关顾中心基金会的规模日益扩展,并透过委托世界知名的建筑师发展一系列开创先河的建筑。不论是刻意还是偶然的,当代建筑有时难免会产生冷漠或拒人于千里之外的观感,但每一所铭琪中心——在格拉斯哥、伦敦抑或香港——都希望营造令人宾至如归的感觉,     

Ge quantum dots light-emitting devices

Si photonics becomes one of the research focuses in the field of photonics.Si-based light-emitting devices are one of the most important devices in this field.In this paper,we review the Si-based light...     

Methylcyclohexane dehydrogenation for hydrogen production via a bimodal catalytic membrane reactor

The dehydrogenation of methylcyclohexane (MCH) to toluene (TOL) for hydrogen production was theoretically and experimentally investigated in a bimodal catalytic membrane reactor (CMR), that combined Pt/Al₂O₃ catalysts with a hydrogen‐selective organosilica membrane prepared via sol‐gel processing using bis(triethoxysilyl) ethane (BTESE). Effects of operating conditions on the membrane reactor performance were systematically investigated, and the experimental results were in good agreement with those calculated by a simulation model with a fitted catalyst loading. With H₂ extraction from the reaction stream to the permeate stream, MCH conversion at 250°C was significantly increased beyond the equilibrium conversion of 0.44–0.86. Because of the high H₂ selectivity and permeance of BTESE‐derived membranes, a H₂ flow with purity higher than 99.8% was obtained in the permeate stream, and the H₂ recovery ratio reached 0.99 in a pressurized reactor. A system that combined the CMR with a fixed‐bed prereactor was proposed for MCH dehydrogenation. © 2015 American Institute of Chemical Engineers AIChE J, 61: 1628–1638, 2015     

Synthesis and Unique Photoluminescence Properties of Eu2Ti2O7 and Eu2TiO5

The europium titania materials, pyrochlore Eu₂Ti₂O₇ and orthorhombic Eu₂TiO₅, were synthesized from a mixture of Eu₂O₃ and TiO₂ using the solid‐state reaction method. The structural and optical properties of these titania materials were investigated using X‐ray diffraction analysis, photoluminescence (PL) analysis, PL excitation (PLE) spectroscopy, and diffuse reflectance spectroscopy. Temperature dependence of the PL intensity was measured between T = 20 and 450 K and analyzed on the basis of various theoretical models. A remarkable increase in the PL intensity with increasing T was observed in these titania materials at higher temperatures, above ~140 K, and well explained by a trap/reservoir model. Interestingly, a dramatic decrease in the electric‐dipole emission component relative to the magnetic‐dipole one was observed in Eu₂Ti₂O₇ above T ~ 140 K. The schematic energy‐level diagram for Eu³⁺ in the Eu₂Ti₂O₇ host was proposed for the sake of a better understanding of the PL and PLE processes in this type of phosphorescent material.     

Blood Pressure Elevation of Tubular Specific (P)RR Transgenic Mice and Lethal Tubular Degeneration due to Possible Intracellular Interactions between (P)RR and Alternative Renin Products

The prorenin/renin receptor ((P)RR) is a multifunctional protein that is widely distributed in various organs. Despite intensive research for more than 20 years, this receptor has not been fully characterized. In this study, we generated mice overexpressing the tubular epithelial (P)RR gene ((P)RR-TG mice) to test the previously reported functional role of (P)RR by Ramkumar et al. in 2015 using tubular specific (P)RR KO mice. (P)RR-TG mice were maintained and analyzed in individual metabolic cages and were administered angiotensin II blocker (ARB), direct renin inhibitor (DRI), and bafilomycin, that is, vacuolar ATPase (V-ATPase) antagonist. (P)RR-TG mice were hypertensive and had alkalized urine with lower osmolality and Na⁺ excretion. ARB and DRI, but not bafilomycin, concurrently decreased blood pressure. Bafilomycin acidized urine of (P)RR-TG mice, or equivalently this phenomenon restored the effect of overexpressed transgene, suggesting that (P)RR functioned as a V-ATPase in renal tubules. Afterall, (P)RR-TG mice were mated with alternative renin transgenic mice (ARen2-TG), which we identified as intracellular renin previously, to generate double transgenic mice (DT-TG). Lethal renal tubular damage was observed in DT-TG mice, suggesting that intracellular renin may be a ligand for (P)RR in tubules. In summary, (P)RR did not substantially affect the tissue renin-angiotensin system (RAS) in our model of tubular specific (P)RR gene over-expression, but alternative intracellular renin may be involved in (P)RR signaling in addition to conventional V-ATPase function. Further investigations are warranted.     

Hemicellulose Composition in Different Cell Wall Fractions Obtained using a DMSO/LiCl Wood Solvent System and Enzyme Hydrolysis

In our previous studies on the relationships between lignin structure and hemicellulose composition in a wide range of hardwood species, we showed that the higher the syringyl ratio, the higher the xylan/mannan ratio. In this study, the relationship of the syringyl ratio and xylan/mannan ratio was further studied using fractions obtained by stepwise extraction of finely milled beech wood by use of aqueous dioxane and subsequent dimethyl sulfoxide (DMSO)/LiCl solvents with increasing LiCl concentration. Each soluble fraction obtained with a different LiCl concentration was compared with the corresponding insoluble residue, and it was shown that both the syringyl ratio and xylan/mannan ratio were always higher in the insoluble fraction. To analyze polysaccharides closely located with lignin, milled wood lignin (MWL), and cellulolytic enzyme lignin (CEL) obtained by enzyme treatment after DMSO/LiCl swelling were investigated. Although the xylan/mannan ratio of MWL was higher, that of CEL with more than 80% lignin yield was lower.