Extension of the LP-Newton method to conic programming problems via semi-infinite representation

Numerical Algorithms - The LP-Newton method solves linear programming (LP) problems by repeatedly projecting a current point onto a certain relevant polytope. In this paper, we extend the...     

Ba3V2S4O3: A Mott Insulating Frustrated Quasi‐One‐Dimensional S=1 Magnet

Through a solid‐state reaction, a practically phase pure powder of Ba₃V₂S₄O₃ was obtained. The crystal structure was confirmed by X‐ray single‐crystal and synchrotron X‐ray powder diffraction (P6₃, a=10.1620(2), c=5.93212(1) Å). X‐ray absorption spectroscopy, in conjunction with multiplet calculations, clearly describes the vanadium in charge‐disproportionated V^IIIS₆ and V^VSO₃ coordinations. The compound is shown to be a strongly correlated Mott insulator, which contradicts previous predictions. Magnetic and specific heat measurements suggest dominant antiferromagnetic spin interactions concomitant with a weak residual ferromagnetic component, and that intrinsic geometric frustration prevents long‐range order from evolving.     

N-Doping of Polyaromatic Capsules: Small Cavity Modification Leads to Large Change in Host–Guest Interactions

To gain insight into the host functions of a nanocavity encircled by both polyaromatic panels and heteroatoms, nitrogen-doped polyaromatic capsules were successfully synthesized from metal ions and pyridine-embedded, bent anthracene-based ligands. The new capsules display unique host–guest interactions in the isolated cavities, which are distinct from those of the undoped analogues. Besides the inclusion of Ag⁺ ions, the large absorption change of fullerene C₆₀ and altered emission of a BODIPY dimer are observed upon encapsulation by the present hosts. Moreover, the N-doped capsule exhibits specific binding ability toward progesterone and methyltestosterone, known as a natural female and synthetic male hormone, respectively, in water.     

Mechanochromic Delayed Fluorescence Switching in Propeller-Shaped Carbazole–Isophthalonitrile Luminogens with Stimuli-Responsive Intramolecular Charge-Transfer Excited States

Herein, the universal design of high-efficiency stimuli-responsive luminous materials endowed with mechanochromic luminescence (MCL) and thermally activated delayed fluorescence (TADF) functions is reported. The origin of the unique stimuli-triggered TADF switching for a series of carbazole–isophthalonitrile-based donor–acceptor (D–A) luminogens is demonstrated based on systematic photophysical and X-ray analysis, coupled with theoretical calculations. It was revealed that a tiny alteration of the intramolecular D–A twisting in the excited-state structures governed by the solid morphologies is responsible for this dynamic TADF switching behavior. This concept is applicable to the fabrication of bicolor emissive organic light-emitting diodes using a single TADF emitter.     

Pattern transition of temperature distribution at Czochralski silicon melt surface

The melt surface temperature in Czochralski silicon growth was studied by CCD camera observation. The thermal radiation energy from the melt surface was converted into temperature by the blackbody calibration method and was recorded with a VCR as two-dimensional color images. The experimental results without a crystal revealed that the temperature distribution at the melt surface can change in four patterns depending on the crucible rotation rate: axisymmetric spoke pattern at low rotation rates, n-folded and island patterns at medium rotation rates, and cellular patterns at high rotation rates. To predict the fluid motion from the experimental observations, three-dimensional time-dependent numerical simulations of the silicon melt flow were executed. As a result, a qualitative transition model for the temperature distribution and the Czochralski silicon melt flow was derived.     

Estimate of Fukushima-derived radiocaesium in the North Pacific Ocean in summer 2012

Distributions of radiocaesium (¹³⁴Cs and ¹³⁷Cs) derived from the Tokyo Electric Power Company (TEPCO) Fukushima Dai-ichi Nuclear Power Plant (FNPP1) accident in the North Pacific Ocean in the summer of 2012 were investigated. We have estimated the radiocaesium inventory in the surface layer using the optimal interpolation analysis and the subducted amount into the central mode water (CMW) by using vertical profiles of FNPP1-¹³⁴Cs and mass balance analysis as the first approach. The inventory of the ¹³⁴Cs in the surface layer in the North Pacific Ocean in August–December 2012 was estimated at 5.1?±?0.9 PBq on 1 October 2012, which corresponds to 8.6?±?1.5 PBq when it was decay corrected to the date of the FNPP1 accident, 11 March 2011. It was revealed that 56?±?10% of the released ¹³⁴Cs into the North Pacific Ocean, which was estimated at 15.3?±?2.6 PBq, transported eastward in the surface layer in 2012. The amount of ¹³⁴Cs subducted in the CMW was estimated to be 2.5?±?0.9 PBq based on the mass balance among the three domains of the surface layer, subtropical mode water, and CMW.     

Synthesis of Functionalized (η5‐Indenyl)rhodium(III) Complexes and Their Application to C−H Bond Functionalization

It has been established that reductive complexation of functionalized benzofulvenes, which are readily prepared from commercially available indene and 2‐methylindene, with RhCl₃ in ethanol affords the corresponding indenyl–rhodium(III) dichlorides bearing substituents at the 1‐ (H or CO₂Et), 2‐ (H or Me), and 3‐ [CH₂Ph or CH₂(2‐MeOC₆H₄)] positions. The indenyl–rhodium(III) complexes bearing one ethoxycarbonyl group showed higher thermal stability and regioselectivity than our previously reported Cp^ERh^III complex toward the oxidative [3+2] annulation of acetanilides with internal alkynes.