The ordered phase of methylammonium lead chloride CH3ND3PbCl3

The perovskite-structured compound methylammonium lead chloride orders into a low-temperature phase of space group Pnma, in which at 80 K each of the orthorhombic axes , and is doubled with respect to the room temperature disordered cubic phase (). The structure was solved by ab initio methods using the programs EXPO and FOX. This unusual cell basis for space group Pnma is not that of a standard tilt system. This phase, in which the methylammonium ions, are ordered shows distorted octahedra. The octahedra possess a bond angle variance of 60.663°² and a quadratic elongation of 1.018, and are more distorted than those in the ordered phase of methylammonium lead bromide. There is also an alternating long and short Pb-Cl bond along a, due to an off-center displacement of Pb within the octahedron. This suggests that the most rigid unit is actually the methylammonium cation, rather than the PbCl₆ octahedra, in agreement with existing spectroscopic data.     

Comparison of Differences in Brain Structure Between Teenagers and Twenties Brain Using 3 T Magnetic Resonance Imaging

Applied Magnetic Resonance - Total cerebral volume increases very rapidly in childhood, peaking in early teenage years then declining in adolescence. However, most studies quantified only one or...     

Probing the structure, stability and hydrogen storage properties of calcium dodecahydro-closo-dodecaborate

Calcium borohydride can reversibly store up to 9.6 wt% hydrogen; however, the material displays poor cyclability, generally associated with the formation of stable intermediate species. In an effort to understand the role of such intermediates on the hydrogen storage properties of Ca(BH₄)₂, calcium dodecahydro-closo-dodecaborate was isolated and characterized by diffraction and spectroscopic techniques. The crystal structure of CaB₁₂H₁₂ was determined from powder XRD data and confirmed by DFT and neutron vibrational spectroscopy studies. Attempts to dehydrogenate/hydrogenate mixtures of CaB₁₂H₁₂ and CaH₂ were made under conditions known to favor partial reversibility in calcium borohydride. However, up to 670 K no notable formation of Ca(BH₄)₂ (during hydrogenation) or CaB₆ (during dehydrogenation) occurred. It was demonstrated that the stability of CaB₁₂H₁₂ can be significantly altered using CaH₂ as a destabilizing agent to favor the hydrogen release.     

Ammine magnesium borohydride complex as a new material for hydrogen storage: structure and properties of Mg(BH4)2.2NH3

The ammonia complex of magnesium borohydride Mg(BH4)2.2NH3 (I), which contains 16.0 wt % hydrogen, is a potentially promising material for hydrogen storage. This complex was synthesized by thermal decomposition of a hexaaammine complex Mg(BH4)2.6NH3 (II), which crystallizes in the cubic space group Fm3 m with unit cell parameter a=10.82(1) A and is isostructural to Mg(NH3) 6Cl2. We solved the structure of I that crystallizes in the orthorhombic space group Pcab with unit cell parameters a=17.4872(4) A, b=9.4132(2) A, c=8.7304(2) A, and Z=8. This structure is built from individual pseudotetrahedral molecules Mg(BH4)2.2NH3 containing one bidentate BH4 group and one tridentate BH4 group that pack into a layered crystal structure mediated by N-H...H-B dihydrogen bonds. Complex I decomposes endothermically starting at 150 degrees C, with a maximum hydrogen release rate at 205 degrees C, which makes it competitive with ammonia borane BH 3NH3 as a hydrogen storage material.     

Removal of 17β-estradiol by powdered activated carbon—Microfiltraion hybrid process: The effect of PAC deposition on membrane surface

The removal of 17β-estradiol (E2) was investigated in a powdered activated carbon-submerged microfiltration (PAC-MF) hybrid system to better understand the effect on the system performance of PAC deposition on the membrane. A series of experiments were carried out under various operating conditions. Although the rejection or adsorption of E2 by MF membrane itself was almost negligible, the concentration of E2 in the permeate was always lower than it was in the reactor. This is because E2 was further removed as it passed through the PAC layer deposited on the membrane. As the E2 removal efficiency by the deposited PAC was lower than that by the PAC in the bulk phase, the overall E2 removal was largely dependent on the fraction of the deposited PAC on the membrane which were influenced by operating parameters such as permeate flux, hydraulic retention time (HRT) and mixing intensity in a PAC-MF system. The effect of these parameters on the overall E2 removal rate were also determined quantitatively using model equations developed in this study.     

Phase transition in anisotropic holographic superfluids with arbitrary dynamical critical exponent z and hyperscaling violation factor $$\alpha $$

Einstein-scalar-U(2) gauge field theory is considered in a spacetime characterized by \(\alpha \) and z, which are the hyperscaling violation factor and the dynamical critical exponent, respectively. We consider a dual fluid system of such a gravity theory characterized by temperature T and chemical potential \(\mu \). It turns out that there is a superfluid phase transition where a vector order parameter appears which breaks SO(3) global rotation symmetry of the dual fluid system when the chemical potential becomes a certain critical value. To study this system for arbitrary z and \(\alpha \), we first apply Sturm–Liouville theory and estimate the upper bounds of the critical values of the chemical potential. We also employ a numerical method in the ranges of \(1 \le z \le 4\) and \(0 \le \alpha \le 4\) to check if the Sturm–Liouville method correctly estimates the critical values of the chemical potential. It turns out that the two methods are agreed within 10 percent error ranges. Finally, we compute free energy density of the dual fluid by using its gravity dual and check if the system shows phase transition at the critical values of the chemical potential \(\mu _\mathrm{c}\) for the given parameter region of \(\alpha \) and z. Interestingly, it is observed that the anisotropic phase is more favored than the isotropic phase for relatively small values of z and \(\alpha \). However, for large values of z and \(\alpha \), the anisotropic phase is not favored.     

Tomotherapy planning and image registration for planning CT image slice thickness for stereotactic radiosurgery

Journal of the Korean Physical Society - Tomotherapy (TomoTherapy, Inc., Madison, WI, USA) is a helical intensity modulated radiation therapy (IMRT) modality using rotational delivery of a fan beam...     

Mild,Selective Oxidation of Aromatic Alcohols Using β-Cyclodextrin-Functionalized Glass Microparticles: Characterization,Stability, and Application

The surface of glass microparticle (GMP) was functionalized with β-cyclodextrin (→ GMP-β-CD) and was characterized by x-ray photoelectron spectroscopy (XPS). GMP-β-CD was used to catalyze oxidation of alcohols into aldehydes and katones with excellent yield (86–92%). The modified surface of GMP-β-CD showed no change or degradation after repeated use as confirmed from XPS analysis after 10 cycles.

[Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]     

Fusarisetin A, an acinar morphogenesis inhibitor from a soil fungus, Fusarium sp. FN080326

An acinar morphogenesis inhibitor named fusarisetin A (1) that possesses both an unprecedented carbon skeleton and a new pentacyclic ring system has been identified from an in-house fractionated fungal library using a three-dimensional matrigel-induced acinar morphogenesis assay system. The structure of 1 was determined in detail by NMR and circular dichroism spectroscopy, X-ray analysis, and chemical reaction experiments.