Aqua­{4,4′,6,6′-tetra­fluoro-2,2′-[(piperazine-1,4-di­yl)dimethyl­ene]diphenolato}copper(II)

In the title compound, [Cu(C18H16F4N2O2)(H2O)], the CuII atom shows a distorted square-pyramidal coordination geometry with the N,N′,O,O′-tetra­dentate piperazine–diphenolate ligand forming the basal plane. The apical site is occupied by the O atom of a coordinated water mol­ecule. Neighbouring complexes are associated through inter­molecular O—H⋯O and O—H⋯F hydrogen bonds between the water mol­ecule and a phenolate O atom or an F atom from an adjacent ligand, respectively, forming a centrosymmetric dimer. Dimers are linked by additional inter­molecular C—H⋯O and C—H⋯F hydrogen bonds, giving infinite chains propagating along the a axis

A monoclinic polymorph of 4,4′-dichloro-2,2′-(piperazine-1,4-diyl­dimethyl­ene)diphenol

The titile compound, C18H20Cl2N2O2, crystallizes as a monoclinic form in the space group P21/n, with Z′ = 1/2. It is polymorphic with the previously reported orthorhombic form [Kubono, Tsuno, Tani & Yokoi (2008). Acta Cryst. E64, o2309]. In the present polymorph, the mol­ecule lies on a crystallographic inversion centre at the piperazine ring centroid. An intra­molecular O—H⋯N hydrogen bond forms an S(6) ring motif. Inter­molecular C—H⋯O hydrogen bonding generates a C(5) chain motif propagating along the b axis, forming sheets parallel to (02) with a first-level graph set S(6)C(5)R 6 6(34)

Bis[μ-4,4′,6,6′-tetra­chloro-2,2′-(piperazine-1,4-diyldimethyl­ene)diphenolato]dicopper(II)

In the centrosymmetric dinuclear CuII title complex, [Cu2(C18H16Cl4N2O2)2], the CuII atom adopts a square-pyramidal geometry with a tetra­dentate ligand in the basal plane. The apical site is occupied by a phenolate O atom from an adjacent ligand, forming a dimer. The mol­ecular structure is stabilized by intra­molecular C—H⋯O and C—H⋯Cl hydrogen bonds

Thin film write head field analysis using a benchmark problem

A benchmark problem has been proposed by the Storage Research Consortium (SRC) in Japan, for evaluating the applicability of computer codes to 3-D nonlinear eddy current analysis of thin film magnetic recording write head. Various codes using the finite element method are compared in terms of the write head field and the computational efficiency. The difficulty in 3-D mesh generation of thin film head is also discussed. The write head fields calculated by various codes using different meshes show fairly good agreement. The calculated write head fields are verified by measurement using a stroboscopic electron beam tomography. It is found that the calculation time strongly depends on unknown variables </p

1,2-Bis[5-(9-ethyl-9H-carbazol-3-yl)-2-methyl­thio­phen-3-yl]-3,3,4,4,5,5-hexa­fluoro­cyclo­pentene

The title compound, C43H32F6N2S2, is a new symmetrical photochromic diaryl­ethene derivative with 9-ethyl­carbazol-3-yl substituents. The mol­ecule adopts a photoactive anti­parallel conformation [Irie (2000). Chem. Rev. 100, 1685–1716; Kobatake et al. (2002). Chem. Commun. pp. 2804–2805], with a dihedral angle between the mean planes of the two thio­phene rings of 56.23 (6)°. The distance between the two reactive C atoms is 3.497 (3) Å. In the crystal, two mol­ecules are associated through a pair of C—H⋯F inter­molecular hydrogen bonds, forming a centrosymmetric dimer. Dimers are linked by weak π–π inter­actions [centroid–centroid distance = 3.8872 (13) Å], forming chains along the c axis

Pulmonary venous occlusion and death in pulmonary arterial hypertension: survival analyses using radiographic surrogates

BACKGROUND: Recent studies find that a considerable number of patients with pulmonary arterial hypertension (PAH) develop fibrous obstruction of the pulmonary veins. Such obstruction more commonly accompanies connective tissue disorder (CTD)-associated PAH than idiopathic PAH. However, few researchers have gauged the risk of death involving obstruction of the pulmonary veins. METHODS: Thirty-seven patients with PAH were enrolled (18 patients, idiopathic PAH; 19 patients, CTD-associated PAH). The patients were 49 ± 18 years and had a World Health Organization functional class of 3.2 ± 0.6. Thickening of the interlobular septa, centrilobular ground-glass attenuation, and mediastinal adenopathy were surrogates for obstruction of the pulmonary veins, and were detected by a 16-row multidetector computed tomography scanner. RESULTS: The follow-up period was 714 ± 552 days. Fifteen deaths occurred. Thickening of the interlobular septa, centrilobular ground-glass attenuation, and mediastinal adenopathy were found in 37.8%, 24.3%, and 16.2% of patients, respectively. Cox proportional hazard analysis revealed an increased risk of death with each radiographic surrogate (mediastinal adenopathy: p < 0.0001, hazard ratio = 13.9; thickening of interlobular septa: p < 0.001, hazard ratio = 12.0; ground-glass attenuation: p = 0.02, hazard ratio = 3.7). The statistical significance of these relationships was independent of the cause of PAH and plasma concentration of brain natriuretic peptide. CONCLUSIONS: The results of this study imply that obstruction of the pulmonary veins is associated with an increased risk of death in patients with PAH

Dynamical Excimer Formation in Rigid Carbazolophane via Charge Transfer State

Formation dynamics of intramolecular excimer in dioxa[3.3](3, 6)carbazolophane (CzOCz) was studied by time-resolved spectroscopic methods and computational calculations. In the ground state, the most stable conformer in CzOCz is the anti-conformation where two carbazole rings are in antiparallel alignment. No other isomers were observed even after the solution was heated up to 150 °C, although three characteristic isomers were found by the molecular mechanics calculation: the first is the anti-conformer, the second is the syn-conformer where two carbazole rings are stacked in the same direction, and the third is the int-conformer where two carbazole rings are aligned in an edge-to-face geometry. Because of the anti-conformation, the interchromophoric interaction in CzOCz is negligible in the ground state. Nonetheless, the intramolecular excimer in CzOCz was dynamically formed in an acetonitrile (MeCN) solution, indicating strong interchromophoric interaction and the isomerization from the anti- to syn-conformation in the excited state. The excimer formation in CzOCz is more efficient in polar solvents than in less polar solvents, suggesting the contribution of the charge transfer (CT) state to the excimer formation. The stabilization in the excited state is discussed in terms of molecular orbital interaction between two carbazole rings. The solvent-polarity-induced excimer formation is discussed in terms of the CT character in the int-conformation

The significance of clinical symptoms of subchorionic hematomas, “bleeding first”, to stratify the high-risk subgroup of very early preterm delivery

OBJECTIVE: To investigate the factors that stratify high-risk cases among subchorionic hematomas (SCHs) patients with persistent vaginal bleeding in early pregnancy. MATERIALS AND METHODS: A total of 56 patients who required hospitalization for SCH with vaginal bleeding in early pregnancy were classified into two groups: 1) no hematoma by ultrasonography when vaginal bleeding occurred, and then hematoma was observed by ultrasonography "bleeding to hematoma (BH group, n = 15)" and 2) no vaginal bleeding when hematoma was observed by routine ultrasonography, and then vaginal bleeding occurred later "hematoma to bleeding (HB group, n = 41)". Retrospective cohort study was performed and maternal and neonatal outcomes were evaluated. RESULTS: The duration of SCHs and/or vaginal bleeding was significantly longer in the BH group than in the HB group (mean: 60.8 days [BH group] vs. 33.3 days [HB group], p = 0.015). BH group patients delivered earlier than HB group patients significantly (mean: 27.3 weeks [BH group] vs. 35.6 weeks [HB group], p = 0.0028). The frequency of chronic abruption and oligohydramnios sequence (CAOS) was significantly higher in the BH group than in the HB group (3/15; 20.0% [BH group] vs. 0/41; 0.0% [HB group], p = 0.016). The frequency of sever fetal distress (Apgar score <4 points) was significantly higher in the BH group than in the HB group (4/15; 26.7% [BH group] vs. 0/41; 0.0% [HB group], p = 0.0037). The levels of factor XIII were relatively lower in the BH group than in the HB group (mean: 54.8% (n = 4) [BH group] vs. 76.1% (n = 7) [HB group], p = 0.077). CONCLUSION: The order of the symptoms, bleeding first, is an important feature that reflects the subsequent prolonged duration of SCHs/vaginal bleeding, resulting in very early preterm delivery. Continuous hemorrhage consumes coagulation factor XIII, which further worsen the hemostasis