Möbius aromaticity in [12]annulene: cis-trans isomerization via twist-coupled bond shifting

Density functional and coupled cluster calculations show that facile thermal configuration change in [12]annulene occurs via a twist-coupled bond-shifting mechanism. The transition state for this process is highly aromatic with M?bius topology. At the CCSD(T)/cc-pVDZ//BH&HLYP/6-311+G** level, the isomerization of tri-trans-[12]annulene 1a (CTCTCT) to its di-trans isomer 2 (CCCTCT) via such a mechanism has a barrier of 18.0 kcal/mol, in good agreement with earlier experiments. Two other aromatic M?bius bond-shifting transition states were located that result in configuration change for other [12]annulene conformers. This mechanism contrasts sharply with diradical configuration change for acyclic polyenes and with planar bond-shifting mechanisms generally assumed for annulenes. This constitutes evidence that neutral M?bius aromatic annulenes play a role in the dynamic processes of neutral [4n]annulenes.     

Shelf-life of99mTc(Sn)-pyrophosphate

The effect of the preparation conditions on the in vitro stability of^99mTc (Sn)-pyrophosphate kit solution has been examined. To extend the shelf-life of the preparation, different methods of protection were tested. Nitrogen purging stabilizes the kit for at least 6 h after labeling when the content of^99mTc-pertechnetate raises to about 5%. However, this method is ineffective in the presence of hydrogen peroxide. The protecting ability of two chemicals was also determined. Gentisic acid gave good results. In the presence of 50 g of gentisic acid per ml of the kit the content of pertechnetate was 1–2% throughout the examined time interval. To eliminate the influence of hydrogen peroxide (6 g per ml of the kit) about 100 g of gentisic acid is needed. N, N-diphenyl-p-phenylenediamine (DPPD) performs some protecting effect only when used in the samples protected by nitrogen purging. However its protecting ability is lower that in the case of gentisic acid.     

Mobilities of some positive and negative hydrogen ions in He and H2

Mobilities of H⁺ and H^? in He and in H₂, and of H⁺₂ and H⁺₃ in He, are calculated from ion-neutral potentials derived from theory and ion-beam scattering. Agreement with experiment is reasonable except for H^? in H₂ and H⁺₂ in He, which present unexplained puzzles.     

Improvement of Biological Effects of Root-Filling Materials for Primary Teeth by Incorporating Sodium Iodide

Therapeutic iodoform (CHI₃) is commonly used as a root-filling material for primary teeth; however, the side effects of iodoform-containing materials, including early root resorption, have been reported. To overcome this problem, a water-soluble iodide (NaI)-incorporated root-filling material was developed. Calcium hydroxide, silicone oil, and NaI were incorporated in different weight proportions (30:30:X), and the resulting material was denoted DX (D5~D30), indicating the NaI content. As a control, iodoform instead of NaI was incorporated at a ratio of 30:30:30, and the material was denoted I30. The physicochemical (flow, film thickness, radiopacity, viscosity, water absorption, solubility, and ion releases) and biological (cytotoxicity, TRAP, ARS, and analysis of osteoclastic markers) properties were determined. The amount of iodine, sodium, and calcium ion releases and the pH were higher in D30 than I30, and the highest level of unknown extracted molecules was detected in I30. In the cell viability test, all groups except 100% D30 showed no cytotoxicity. In the 50% nontoxic extract, D30 showed decreased osteoclast formation compared with I30. In summary, NaI-incorporated materials showed adequate physicochemical properties and low osteoclast formation compared to their iodoform-counterpart. Thus, NaI-incorporated materials may be used as a substitute for iodoform-counterparts in root-filling materials after further (pre)clinical investigation.     

Eigenvalues of Random Power law Graphs

Many graphs arising in various information networks exhibit the "power law" behavior -the number of vertices of degree k is proportional to k^-# for some positive #. We show that if # > 2.5, the largest eigenvalue of a random power law graph is almost surely(1+ o(1))?m (1+ o(1))\sqrt{m} where m is the maximum degree. Moreover, the klargest eigenvalues of a random power law graph with exponent # have power law distribution with exponent 2# if the maximum degree is sufficiently large, where k is a function depending on #, mand d, the average degree. When 2<#< 2.5, the largest eigenvalue is heavily concentrated at cm^3-# for some constant c depending on # and the average degree. This result follows from a more general theorem which shows that the largest eigenvalue of a random graph with a given expected degree sequence is determined by m, the maximum degree, and [(d)\tilde] \tilde{d} , the weighted average of the squares of the expected degrees. We show that the k-th largest eigenvalue is almost surely (1+ o(1))?{m_k} (1+ o(1))\sqrt{m_k} where m_k is the k-th largest expected degree provided m_k is large enough. These results have implications on the usage of spectral techniques in many areas related to pattern detection and information retrieval.     

Adaptive window-length detection of underwater transients using wavelets

This paper describes a detection method that adapts to unknown characteristics of the underlying transient signal, such as location, length, and time-frequency content. It applies a set of embedded detectors tuned to a number of signal partitions. The detectors are based on the wavelet theory, whereby two different techniques are examined, one using local Fourier transform and the other using discrete wavelet transform. The detection statistics are computed so as to enable prewhitening of unknown colored noise and to allow for a constant false-alarm rate detection. An adapted segmentation of the signal is next obtained with a goal of finding the largest detection statistics within each segment of the partition. The detectors are tested using several underwater acoustic transient signals buried in ambient sea noise.     

Measurement of the spectral distribution of a multi-mode dye laser light by using speckle patterns

A simple method of measuring the wavelength γ₁ and the spectral line spacing Δγ of a multi-mode dye laser light by using the correlated speckle patterns produced at the far-field of a diffuser is proposed. Examples of the obtained values of γ₁ and Δγ are 6.0 × 10³ Å and 3.0 × 10¹ Å, respectively.     

Equivalent contributing depth investigated by a lateral wave with axial transmission in viscoelastic cortical bone

Cortical bone is a viscoelastic heterogeneous medium which may be assessed with axial transmission. This work aims at evaluating the average depth investigated by the lateral wave for radial variations of material properties in relatively thick cortical bone. The equivalent contributing depth (ECD) is derived from the finite element simulation results for spatial variations of a viscoelastic coefficient (η(11)) and of porosity. A value of ECD equal to around 1.6 mm is obtained for a spatial variation of η(11). The method fails to predict accurate values of the ECD for a spatial variation of porosity, because all parameters vary simultaneously.