Abstract: The refractometric method has been used to determine optical properties of concentration features of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide at the room temperature. Changes in dielectric permittivity of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide in a wide range of concentrations (0÷1.0 molar fraction) have been studied using molecular dynamics method. The curves depending on the concentration of experimental data on excess refractive indices and excess dielectric permittivity were compared. It has been shown that stable heteromolecular complexes in binary solutions are formed in the concentration range of 0.3÷0.4 mole fractions. The real and complex part of dielectric permittivity was obtained from dipole-dipole autocorrelation functions of molecules. At the concentrations of C = 0.3 / 0.4 m.f. the heteromolecular structures with hydrogen bonds are formed. This is confirmed by the extremum values of excessive dielectric permittivity and excessive refractive index of aqueous solutions.
Abstract: The objective of this study was to synthesize and
characterize the poly(alkenoic acid)s with different molecular
structures, use these polymers to formulate a dental cement
restorative, and study the effect of molecular structures on reaction
kinetics, viscosity, and mechanical strengths of the formed polymers
and cement restoratives. In this study, poly(alkenoic acid)s with
different molecular structures were synthesized. The purified
polymers were formulated with commercial Fuji II LC glass fillers to
form the experimental cement restoratives. The reaction kinetics was
studied via 1HNMR spectroscopy. The formed restoratives were
evaluated using compressive strength, diametral tensile strength,
flexural strength, hardness and wear-resistance tests. Specimens were
conditioned in distilled water at 37oC for 24 h prior to testing. Fuji II
LC restorative was used as control. The results show that the higher
the arm number and initiator concentration, the faster the reaction
was. It was also found that the higher the arm number and branching
that the polymer had, the lower the viscosity of the polymer in water
and the lower the mechanical strengths of the formed restorative. The
experimental restoratives were 31-53% in compressive strength, 37-
55% in compressive modulus, 80-126% in diametral tensile strength,
76-94% in flexural strength, 4-21% in fracture toughness and 53-96%
in hardness higher than Fuji II LC. For wear test, the experimental
restoratives were only 5.4-13% of abrasive and 6.4-12% of attritional
wear depths of Fuji II LC in each wear cycle. The aging study also
showed that all the experimental restoratives increased their strength
continuously during 30 days, unlike Fuji II LC. It is concluded that
polymer molecular structures have significant and positive impact on
mechanical properties of dental cement restoratives.
Abstract: The topological distance between a pair of vertices i and j, which is denoted by d(vi, vj), is the number of edges of the shortest path joining i and j. The Wiener index W(G) is the sum of distances between all pairs of vertices of a graph G. W(G) = i
Abstract: The production of devices in nanoscale with specific
molecular rectifying function is one of the most significant goals in
state-of-art technology. In this work we show by ab initio quantum
mechanics calculations coupled with non-equilibrium Green
function, the design of an organic two-terminal device. These
molecular structures have molecular source and drain with several
bridge length (from five up to 11 double bonds). Our results are
consistent with significant features as a molecular rectifier and can be
raised up as: (a) it can be used as bi-directional symmetrical rectifier;
(b) two devices integrated in one (FET with one operational region,
and Thyristor thiristor); (c) Inherent stability due small intrinsic
capacitance under forward/reverse bias. We utilize a scheme for the
transport mechanism based on previous properties of ¤Ç bonds type
that can be successfully utilized to construct organic nanodevices.