Physicochemical aspects of the liposome-wool interaction in wool dyeing

Despite the promising application of liposomes in wool dyeing, little is known about the mechanism of liposome interactions with the wool fiber and dyestuffs. The kinetics of wool dyeing by two dyes, Acid Green 27 (hydrophobic) and Acid Green 25 (hydrophilic), were compared in three experimental protocols: (1) without liposomes, (2) in the presence of phosphatidylcholine (PC) liposomes, and (3) with wool previously treated with PC liposomes. Physicochemical interactions of liposomes with wool fibers were studied under experimental dyeing conditions with particular interest in the liposome affinity to the fiber surface and changes in the lipid composition of the wool fibers. The results obtained indicate that the presence of liposomes favors the retention of these two dyes in the dyeing bath, this effect being more pronounced in case of the hydrophobic dye. Furthermore, the liposome treatment is accompanied by substantial absorption of PC by wool fibers with simultaneous partial solubilization of their polar lipids (more evident at higher temperatures). This may result in structural modification of the cell membrane complex of wool fibers, which could account for a high level of the dye exhaustion observed at the end of the liposome dyeing process.     

Selective hydrodechlorination of fluorinated arylamines

Chlorine-containing polyfluorinated anilines and meta-phenylenediamines undergo selective hydrodechlorination easily upon reduction by zinc in aqueous ammonia. A new approach is thus provided to synthetically valuable, partially fluorinated arylamines based on utilizing polyfluorochloroarenes, which are available as intermediates of perfluoroarene production from perchloroarenes. When chlorine atoms are present in positions both ortho and para to the amino group, para chlorine is initially eliminated. Based on this reaction, a one-pot synthesis of partially fluorinated 4-aminopyridines from 3,5-dichlorotrifluoro- and 3-chlorotetrafluoropyridine has been realized.     

Adaptive efficient analysis for big data ergodic diffusion models

Statistical Inference for Stochastic Processes - We consider drift estimation problems for high dimension ergodic diffusion processes in nonparametric setting based on observations at discrete...     

Scattering on univalent graphs from theL-function point of view

The scattering process on multiloop infinite (p+1)-valent graphs is studied. These graphs are discrete spaces of a constant negative curvature, being quotients of a p-adic hyperbolic plane over free-acting discrete subgroups of the projective group PGL(2,Q _p). They are, in fact, identical to p-adic multiloop surfaces. A finite subgraph containing all loops is called the reduced graph T_red; the L-function is associated with this finite subgraph. For an infinite graph, we introduce the notion of spherical functions. They are eigenfunctions of a discrete Laplace operator acting on the graph. In scattering processes, we define the s-matrix and the scattering amplitudes c_i, imposing the restriction c_i=A_ret(u)/A_adv (u) = const for all vertices u T_supp. A_ret and A_adv are retarded and advanced branches of a solution to the eigenfunction problem and T_supp is a support domain for scattering centers. Taking the product over all c_i, we obtain the determinant of the scattering matrix, which is expressed as a ratio of two L-functions: C L(₊)/L(_–). Here the L-function is the Ihara-Selberg function depending only on the form of T_red, being the eigenvalue of the Laplacian. We present a proof of the Hashimoto-Bass theorem, the expressing L-function L(u) of any finite graph via the determinant of a local operator (u) acting on this graph. Numerous examples of L-function calculations are presented.Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 103, No. 3, pp. 489–506, June, 1995.     

Anisotropic<Emphasis Type="Italic">s</Emphasis>-wave or<Emphasis Type="Italic">d</Emphasis>-wave pairing? Analysis of experiments on ion irradiation of YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>7-x</Subscript> films

The effect of ion irradiation on the superconducting transition temperatureT _c and resistivityρ _ab (T) of YBa₂Cu₃O_7-x films with different oxygen content (initial temperatureT _c0≈90 K and 60 K) is studied experimentally. The dependenciesT _c /T _c0 on residual resistivityρ _o are obtained in very wide range 0.2<T _c /T _c0 <1 andρ _o μΩ·cm. The critical values ofρ _o , corresponding to the vanishing of superconductivity, are found to be an order of magnitude larger then those predicted by theory ford-wave pairing. At 0.5÷0.6<T _c /T _c0<1 the experimental data are in close agreement with theoretical dependencies, obtained for the anisotropics-wave superconductor within the BCS-framework.     

Approximate minimum-cost multicommodity flows in\tilde O(ɛ −2 KNM) timetime

We show that an ε-approximate solution of the cost-constrainedK-commodity flow problem on anN-nodeM-arc network,G can be computed by sequentially solving O(K(? ^?2+logGK) logGM log (G? ^?1 GK)) single-commodity minimum-cost flow problems on the same network. In particular, an approximate minimum-cost multicommodity flow can be computed in $\tilde O$ (G? ^?2 GKNM) running time, where the notation Õ(·) means “up to logarithmic factors”. This result improves the time bound mentioned by Grigoriadis and Khachiyan [4] by a factor ofM/N and that developed more recently by Karger and Plotkin [8] by a factor of? ^?1. We also provide a simple $\tilde O$ (NM)-time algorithm for single-commodity budget-constrained minimum-cost flows which is $\tilde O$ (? ^?3) times faster than the algorithm developed in the latter paper.     

Accurate ionization potentials for UO and UO2: a rigorous test of relativistic quantum chemistry calculations

Accurate ionization potential (IP) measurements provide essential thermodynamic information and benchmark data that can be used to evaluate the validity of electronic structure models. Calculations of the first IP of UO2 using relativistic methods consistently predict values that are approximately 0.7 eV higher than the accepted experimental value. The present measurements validate the theoretical calculations and show that the previous determinations corresponded to the ionization of thermally excited molecules. Similarly, new measurements of the IP for UO show that the currently accepted value is too low by 0.4 eV.     

The influence of microhydration on the ionization energy thresholds of uracil and thymine

In the present study the ionization energy thresholds (IET's) of uracil and thymine have been calculated (with the B3LYP, PMP2, and P3 levels of theory using the standard 6-31++G(d,p) basis set) with one to three water molecules placed in the first hydration shell. Then (B3LYP) polarizable continuum model (PCM) calculations were performed with one to three waters of the hydration shell included. Calculations show there is a distinct effect of microhydration on uracil and thymine. For uracil, one added water results in a decrease in the IET of about 0.15 eV. The second and third water molecules cause a further decrease by about 0.07 eV each. For thymine, the first water molecule is seen to decrease the IET by about 0.1 eV, while the second and third water molecules cause a further decrease of less than 0.1 eV each. The changes in IET calculated here for thymine with one to three waters of hydration are smaller than the experimental values determined by Kim et al. (Kim, S. K.; Lee, W.; Herschbach, D. R. J. Phys. Chem. 1996, 100, 7933). Preliminary results presented here indicate that the experimental results may involve keto-enol tautomers of thymine. The results of placing the microhydrated structures of uracil and thymine in a PCM cavity was seen to make very little difference in the IET when compared to the IET of ordinary uracil or thymine in a PCM cavity. The implications are that accurate calculations of the IET's of uracil and thymine can be obtained by simply considering long-range solvation effects.