Total surface areas of Group IVA organometallic compounds: Predictors of toxicity to algae and bacteria

There is a high correlation between molecular surface area (TSA) of triorganotin and triorganolead compounds and their toxicity towards a bacterium (Escherichia coli) and an alga (Selenastrum capricornutum). Parallel attempts to correlate other Group IVA organometals incorporating silicon or germanium were unsuccessful. It was further demonstrated, however, that a high correlation was obtainable between certain series of compounds with the same organic substituent but different metal centers involving all Group IVA elements. In both instances, the inability to obtain a quantitative structure-activity relationship (QSAR) for all systems studied appears to be a function of the solubility of the compounds. While organotin TSA values have been found to correlate well with their toxicities toward various organisms, this study clearly suggests that this type of QSAR can be readily extended to include other organometal systems, provided that there is no solubility problem and the toxicity is a function of the hydrophobicity of the organometal compounds.     

Estimation of the exchange constants in the Fe sublattice of the Y2Fe17 and Y2Fe17N3−δ compounds from the analysis of Mössbauer measurements

From the analysis of Mössbauer data for Y₂Fe₁₇ and Y₂Fe₁₇N_3−δ at various temperatures the hyperfine fields for 4f, 6g, 12j, 12k iron sites were estimated as a function of temperature. The reduced magnetizations calculated from the values of the hyperfine fields are fitted with a mean field model for four interacting sublattices using a computer program. The estimated exchange interaction from the fitting procedure between the 4f sites is found strongly negative (antiferromagnetic) in Y₂Fe₁₇ whereas in Y₂Fe₁₇N_3−δ it increases and becomes weak negative following a modified Slater-Néel curve. The rest of the exchange interactions are found positive or weak negative depending on the distances between the Fe atoms.     

Independent cycles with limited size in a graph

Letk and s be two positive integers with s≥3. LetG be a graph of ordern ≥sk. Writen =qk + r, 0 ≤r ≤k - 1. Suppose thatG has minimum degree at least (s - l)k. Then G containsk independent cyclesC ₁,C ₂,...,C _k such thats ≤l(C _i ) ≤q for 1 ≤i ≤r arnds ≤l(C _i ) ≤q + 1 fork -r <i ≤k, where l(C_i) denotes the length ofC _i .     

Special features of the radiative capture of ultracold neutrons by thin and thick layers of matter

The radiative capture of ultracold neutrons traversing thin and thick homogeneous layers of matter is analyzed. The applicability range of the formulas for the probabilities of reflection, transmission, and capture in thick layers (under certain conditions, they admit a simple interpretation—it is often quoted in the literature—that is based on the effective capture cross section, which is in inverse proportion to the velocity of a neutron in matter) is investigated, along with the conditions under which there arises the effective capture cross section.     

Influence of preparation methods on structure and properties of PA6/PA66 blends: A comparison of melt‐mixing and in situ blending

The blends composed of polyamide 6 (PA6) and polyamide 66 (PA66) were obtained using two different preparation methods, one of which was the melt‐mixing through a twin‐screw extruder and the subsequent injection molding; and the other, the in situ blending through anionic polymerization of ε‐caprolactam in the presence of PA66. For the former, there existed a remarkable improvement in toughness but a drastic drop in strength and modulus; however, for the latter, a reverse but less significant trend of mechanical properties change appeared. Various characterizations were conducted, including the analyses of crystalline morphology, crystallographic form, and crystallization and melting behaviors using polarized optical microscopy (POM), wide‐angle X‐ray diffraction (WAXD), and differential scanning calorimetry (DSC), respectively; observation of morphology of fractured surface with scanning electron microscope (SEM); measurement of glass transition through dynamic mechanical analysis (DMA); and the intermolecular interaction as well as the interchange reaction between the two components by Fourier transform infrared spectrometry (FT‐IR) and ¹³C solution NMR. The presence and absence of interchange reaction was verified for the in situ and melt‐mixed blends, respectively. It is believed that the transreaction resulted in a drop in glass transition temperature (T_g) for the in situ blends, contrary to an increase of T_g with increasing PA66 content for the melt‐mixed ones. And the two kinds of fabrication methods led to significant differences in the crystallographic form, spherulite size and crystalline content and perfection as well. Accordingly, it is attempted to explain the reasons for the opposite trends of changes in the mechanical properties for these two blends. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1176–1186, 2007     

Stability of translating solutions to mean curvature flow

We prove stability of rotationally symmetric translating solutions to mean curvature flow. For initial data that converge spatially at infinity to such a soliton, we obtain convergence for large times to that soliton without imposing any decay rates. The authors are members of SFB 647/B3 “Raum – Zeit – Materie: Singularity Structure, Long-time Behaviour and Dynamics of Solutions of Non-linear Evolution Equations”.     

Kinetic features of ethylene polymerization over supported catalysts [2,6‐bis(imino)pyridyl iron dichloride/magnesium dichloride] with AlR3 as an activator

The effects of polymerization temperature, polymerization time, ethylene and hydrogen concentration, and effect of comonomers (hexene‐1, propylene) on the activity of supported catalyst of composition LFeCl₂/MgCl₂‐Al(i‐Bu)₃ (L = 2,6‐bis[1‐(2,6‐dimethylphenylimino)ethyl] pyridyl) and polymer characteristics (molecular weight (MW), molecular‐weight distribution (MWD), molecular structure) have been studied. Effective activation energy of ethylene polymerization over LFeCl₂/MgCl₂‐Al(i‐Bu)₃ has a value typical of supported Ziegler–Natta catalysts (11.9 kcal/mol). The polymerization reaction is of the first order with respect to monomer at the ethylene concentration >0.2 mol/L. Addition of small amounts of hydrogen (9–17%) significantly increases the activity; however, further increase in hydrogen concentration decreases the activity. The IRS and DSC analysis of PE indicates that catalyst LFeCl₂/MgCl₂‐Al(i‐Bu)₃ has a very low copolymerizing ability toward propylene and hexene‐1. MW and MWD of PE produced over these catalysts depend on the polymerization time, ethylene and hexene‐1 concentration. The activation effect of hydrogen and other kinetic features of ethylene polymerization over supported catalysts based on the Fe (II) complexes are discussed. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 5057–5066, 2007     

Third harmonics of cosmic ray intensity on quiet days at Deep River Neutron Monitoring Station

The cosmic ray (CR) intensity data recorded in Deep River Neutron Monitoring Station have been investigated on quietest days (QD) for third harmonics of daily variation during solar cycles 21 and 22. It has been observed that in spite of abrupt change in the amplitude and phase of tri-diurnal anisotropy in CR intensity, the amplitude is quite significant throughout the period of investigation with larger amplitude during the years 1980 and 1985. Thus, tri-diurnal anisotropy clearly shows 11-year variation at the mid latitude neutron monitoring station.      

General Information

In this paper, we propose and analyze an SQP-type method for solving linearly constrained convex minimization problems where the objective functions are too complex to be evaluated exactly. Some basic results for global convergence and local superlinear convergence are obtained according to the properties of the approximation sequence. We illustrate the applicability of our approach by proposing a new method for solving two-stage stochastic programs with fixed recourse.     

Some Fixed-Point Results for the Dynamic Assignment Problem

In previous work the authors consider the dynamic assignment problem, which involves solving sequences of assignment problems over time in the presence of uncertain information about the future. The algorithm proposed by the authors provides generally high-quality but non-optimal solutions. In this work, though, the authors prove that if the optimal solution to a dynamic assignment problem in one of two problem classes is unique, then the optimal solution is a fixed point under the algorithm.