Crystal Structures of Mono-, Di-, and Tri(p-tert-butyl)-thiacalix[4]arenes: Dimeric Self-inclusion Behavior

X-Ray crystal structures of the mono-, di-, and tri(p-tert-butyl)-substituted thiacalix[4]arenes (TC4As; 1, 2, and 3, respectively) have beendetermined. TC4As 1–3 adopt a cone conformation and form dimeric self-inclusion units in such a manner that phenol moieties are inserted into the cavity of each molecule. In all the crystal structures of 1–3, lateralface-to-face interactions exist between the phenol rings that do not bear a tert-butyl substituent, and seemingly, this molecular assembly stabilizes the formation of self-inclusion. TC4As 1 and 2 adopt a cone conformation with C₂ symmetry, leading to the formation of rim-to-rim intermolecular hydrogenbonds so as to link the dimeric units up and down. On the other hand, 3 adopts a regular cone conformation with C₄ symmetry to form cyclic hydrogen bonds withinthe rim part of TC4A.     

Theory for electron hopping through nanometer-scale contacts: From tunneling regime to ballistic regime

Using the recursion-transfer-matrix (RTM) method combined with nonequilibrium Green's function (NEGF) method, we study the electronic states and current–voltage (I–V) characteristics of junction systems with atomic-scale nanocontacts as a function of the distance between electrodes. We observe a strong nonlinear behavior in the I–V characteristics and correspondingly a gap structure appears in conductance. We find that such a nonlinear behavior emerges when the transport properties change from tunneling to ballistic regimes.     

Ab initio calculations of transport properties of atomic bridges by the recursion-transfer-matrix method

We present an efficient self-consistent method for approaching quantum transport through atomic-scale structures. Using the recursion-transfer-matrix (RTM) method with a separable form of nonlocal pseudopotentials, scattering waves propagating between metallic electrodes through nano-bridged structures are efficiently calculated on the basis of the density-functional formalism. We performed calculations with this method of the conductance of Al atomic wires with various kinds of single atoms mixed at the contact to one electrode. We found that the transport properties are considerably affected by the bonding nature of the atom at the contact. The conductance is largely determined by the atomic species at the contact and does not change much as the length of the atomic wire increases.     

Potentiometric and spectrophotometric flow-injection determinations of metal ions with use of metal ion buffers

Potentiometric and spectrophotometric flow-injection determinations of metal ions, based on metal ion buffers, are described. A copper(II) ion-selective electrode and copper(II) ion buffers containing nitrilotriacetic acid (NTA) or ethylenebis(oxyethylenedinitrilo)tetraacetic acid (EGTA) are used for determination of ca. 10^?3 M transition metal ions or of calcium in the presence of magnesium. Spectrophotometric determination of transition metal ions is achieved by using a zinc ion buffer solution containing NTA and xylenol orange as indicator. Zinc concentrations up to 2 M can be determined by using large dispersion in the manifold. The factors influencing the sensitivity of the proposed methods are discussed.     

Investigation on the Surface‐Confined Self‐Assembly Stabilized by Hydrogen Bonds of Urea and Amide Groups: Quantitative Analysis of Concentration Dependence of Surface Coverage

Formation of a hydrogen‐bond network via an amide group is a key driving force for the nucleation–elongation‐type self‐assembly that is often seen in biomolecules and artificial supramolecular assemblies. In this work, rod‐coil‐like aromatic compounds bearing an amide ( 1 a – 3 a ) or urea group ( 1 u – 3 u ) were synthesized, and their self‐assemblies on a 2‐D surface were investigated by scanning tunneling microscopy (STM). According to the quantitative analysis of the concentration dependence of the surface coverage, it was revealed that the strength of the hydrogen bond (i.e., amide or urea) and the number of non‐hydrogen atoms in a molecular component (i.e., size of core and length of alkyl side chain) play a primary role in determining the stabilization energy during nucleation and elongation processes of molecular ordering on the HOPG surface.     

The equations for modular function fields of principal congruence subgroups of prime level

We determine the equation with integral coefficients of the modular, function fields with respect to the principal congruence subgroup ofSL ₂ (ℤ) of prime level.     

Thermal lens spectrophotometry of nitrogen dioxide using an excimer-laser-pumped dye laser

A thermal lens spectrophotometer based on a pulsed dye laser pumped by an excimer laser was constructed. A thermal lens spectrum was measured for nitrogen dioxide by scanning the dye laser wavelength, which was well correlated with an absorption spectrum. A linear calibration graph was obtained in the nl 1^?1 range, the detection limit being 4 nl 1^?1, which is similar to the best value achieved by other laser spectrometric methods. The enhancement factor achieved was 16, which is much smaller than the theoretical value of 292 calculated by assuming an exciting laser with a single transverse mode (beam waist radius 0.12 mm). However, the observed enhancement factor agrees fairly well with the theoretical value of 17 calculated from the observed beam radius (0.5 mm) at the waist. Hence the observed small enhancement factor is ascribed to poor beam quality of the dye laser used. Pulsed thermal lens spectrophotometry is shown to be useful especially for the analysis of gaseous samples at elevated temperatures.     

Die Löslichkeit von aromatischen Verbindungen mit polaren Gruppen in Wasser

Zusammenfassung Die Löslichkeiten folgender Verbindungen wurden in Wasser bei 5°-Intervallen von 0° bis 40° bestimmt; Anilin, Mtrobenzol, Chlorbenzol,-Oxynaphthalin und-Nitronaphthalin. Aus diesen Ergebnissen wurden die thermodynamischen Parameter für den Lösungsprozeß der reinen flüssigen Verbindungen in Wasser berechnet. Das Resultat wurde mit Hilfe des Begriffs der Eisberge erklärt.Beim Benzol, Anilin und Chlorbenzol waren die Lösungswärmen negativ bei niedrigeren Temperaturen und wurden mit steigender Temperatur positiver. Dagegen traten beim Nitrobenzol,-Oxynaphthalin und-Nitronaphthalin stets die positiven Lösungswärmen auf. Dies sollte auf die großen intermolekularen Kräfte in der reinen Flüssigkeit zurückzuführen sein.     

Mechanical and dynamic aspects of voice production as related to voice therapy and phonosurgery

Laryngeal framework surgery can change the position and tensionof the vocal folds safely without direct surgical intervention in the vocal fold proper. Some 23 years of experience with phonosurgery have proved its usefulness in treating dysphonia related to unilateral vocal fold paralysis, vocal fold atrophy, and pitch-related dysphonias. Meanwhile, much information about the mechanism of voice production has been obtained through intraoperative findings of voice and fiberscopic examination of the larynx . Based on such knowledge together with information obtained through model experiments, the human vocal organ was reconsidered mainly from the mechanical view point, and the roles of voice therapy and singing pedagogy were discussed in relation to phonosurgery. The vocal organ may not be an ideal musical organ and is rather vulnerable, but its potential is enormous.