Investigation of the lability of furan and its derivatives in nucleophilic substitution reactions by the mindo/3 method

The a complexes of furan, thiophene, pyrrole, pyridine, and benzene with the hydride ion were calculated by the MINDO/3 method. The affinities of the indicated aromatic rings and a number of substituted furans for the H^– ion were estimated. It is shown that the relative magnitude of the affinity correlates qualitatively with the experimental data on the relative rates of the reaction of the examined compounds with nucleophilic reagents. The following order of increasing reactivities of unsubstituted aromatic rings was obtained: pyrrole相似文献   

Synthesis and properties of 1-(6-methoxy)-2-benzothiazolyl)-2-pyridones

Substituted ]-(6-methoxy-2-benzothiazolyt)-2-pyridones were prepared from 2-amino-6-methoxybenzathiazate through N-(6-methoxy-2-benzothiazotyl) cyanvorearmileaznd-3-aryl-N-(6-methoxy-2-benzothiazolyt)-2-cyano-2-propenamides. The cyclization of the latter with malonodinitrile in the presence of piperidine gave the corresponding pyridones. The structures of the synthesized compounds were confirmed by¹H NMR and mass spectral data.Department of Organic Chemistry, Mass Spectrometry Laboratory, Slovak Technical University, 812 37 Bratislava, Slovakia. Published in Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1402–1404, October, 1995. Original article submitted August 24, 1995.     

DIFFERENTIAL EFFECTS OF A DNA-SYNTHESIS MUTATION ON UV-INDUCED MUTATION YIELDS IN VEGETATIVE CELLS AND SPORES OF BACILLUS SUBTILIS

Abstract— The absorption and emission properties of the photochemically produced dipyrimidine adducts are analyzed at 300 and 77K. Those adducts which have a saturated C(5)—C(6) bond in the pyrimidin-2,4-dione (Pyr) ring and a pyrimidin-2-one (Pyo) ring behave spectroscopically as a substituted Pyo. However, those consisting of one Pyr and one Pyo moiety can be considered as bichromophoric molecules and their spectral properties can be understood in terms of the relative torsional angle between the two rings. The adduct with the most bulky substituents ortho to the torsional bond bears the largest torsional angle and exhibits relatively independent absorption and emission phenomenon. At the other extreme, those adducts with no substituents at this position exist as almost planar molecules and exhibit considerable overlap of absorption bands as well as room temperature fluorescence which, in certain cases, is characteristic of intramolecular exciplex interaction. Using inter-ring torsional angles of ortho-substituted biphenyl molecules as a basis for comparative calculation, quantitative estimates of the torsional angles in dipyrimidine adducts at 300K have been made.     

Tensile Properties of Graphene-Based Nanocomposites: a Comparative Study of Ultrasonication and Microcompounding Processing Methods

Mechanics of Composite Materials - Two methods are commonly used to disperse graphene nanoplatelets (GNPs) in a polymer matrix system (PMS) — microcompounding and ultrasonication. In this...     

Study of J/Ψ three-body decays involving baryons and a pseudoscalar meson in the diquark model

The J/Ψ decay into a baryon pair and a pseudoscalar meson is computed, for some channels, in lowest order in perturbative QCD, modeling the baryon with a quark-diquark system. We use a set of parameters that has been proposed by some authors in order to fit the proton magnetic form factor G _M ^P, the angular distribution of protons in the processes γγ → pp?, γp → γp and the width of η_c → γγ.     

How many miles to βX? II — Approximations to βX versus cofinal types of sets of metrics

Kada, Tomoyasu and Yoshinobu proved that the Stone-?ech compactification of a locally compact separable metrizable space is approximated by the collection of d-many Smirnov compactifications, where d is the dominating number. By refining the proof of this result, we will show that the collection of compatible metrics on a locally compact separable metrizable space has the same cofinal type, in the sense of Tukey relation, as the set of functions from ω to ω with respect to eventually dominating order.     

Strategic equivalence among hat puzzles of various protocols with many colors

We discuss puzzles of prisoners and hats with infinitely many prisoners and more than two hat colors. Assuming that the set of hat colors is equipped with a commutative group structure, we prove strategic equivalence among puzzles of several protocols with countably many prisoners.