Direct In Vitro Comparison of the Anti-Leishmanial Activity of Different Olive Oil Total Polyphenolic Fractions and Assessment of Their Combined Effects with Miltefosine

The bioactive compounds present in the edible products of the olive tree have been extensively studied and their favorable effects on various disease risk factors have been demonstrated. The aim of this study was to perform a comparative analysis of the anti-leishmanial effects of total phenolic fractions (TPFs) derived from extra virgin olive oil with different phenolic contents and diverse quantitative patterns. Moreover, the present study investigated their association with miltefosine, a standard anti-leishmanial drug, against both extracellular promastigotes and intracellular amastigotes of a viscerotropic and a dermotropic Leishmania strain. The chemical compositions of TPFs were determined by high performance liquid chromatography with diode array detection (HPLC-DAD). Analysis of parasite growth kinetics, reactive oxygen species production and apoptotic events were determined by microscopy and flow cytometry. Our results revealed that the presence of oleacein (OLEA) and oleocanthal (OLEO) secoiridoids enhances the anti-leishmanial effect of TPF. The association between TPFs and miltefosine was suggested as being additive in Leishmania infantum and Leishmania major promastigotes, and as antagonistic in intracellular amastigotes, as was evaluated with the modified isobologram method. The obtained data verified that TPFs are bioactive dietary extracts with a strong anti-leishmanial activity and highlighted that fractions that are richer in OLEA and OLEO phenolic compounds possess stronger inhibitory effects against parasites. This study may contribute to improving the therapeutic approaches against leishmaniasis.     

Markov Chain Monte Carlo from Lagrangian Dynamics

Hamiltonian Monte Carlo (HMC) improves the computational efficiency of the Metropolis–Hastings algorithm by reducing its random walk behavior. Riemannian HMC (RHMC) further improves the performance of HMC by exploiting the geometric properties of the parameter space. However, the geometric integrator used for RHMC involves implicit equations that require fixed-point iterations. In some cases, the computational overhead for solving implicit equations undermines RHMC’s benefits. In an attempt to circumvent this problem, we propose an explicit integrator that replaces the momentum variable in RHMC by velocity. We show that the resulting transformation is equivalent to transforming Riemannian Hamiltonian dynamics to Lagrangian dynamics. Experimental results suggest that our method improves RHMC’s overall computational efficiency in the cases considered. All computer programs and datasets are available online (http://www.ics.uci.edu/babaks/Site/Codes.html) to allow replication of the results reported in this article.     

Estimation of thermal conductivity coefficient for solid-state crystal dielectrics at high temperatures

A generalized expression for approximate estimation of lattice component of thermal conductivity coefficient for solid-state crystal dielectrics at temperatures higher than the Debye temperature, is obtained, which is convenient for preliminary estimation of thermal conductivity coefficient and enables one to conduct a goal-directed search for low-conductivity materials. On the example of rare-earth magnesium hexaaluminates, it is shown that estimations according to the obtained expression are in good compliance with experimental data.     

Solution of large eigenvalue problems in electronic structure calculations

Predicting the structural and electronic properties of complex systems is one of the outstanding problems in condensed matter physics. Central to most methods used in molecular dynamics is the repeated solution of large eigenvalue problems. This paper reviews the source of these eigenvalue problems, describes some techniques for solving them, and addresses the difficulties and challenges which are faced. Parallel implementations are also discussed.Work supported by NSF grants DMR-9217287 and ASC 95-04038, and by the Minnesota Supercomputer Institute     

Calculation of nonlinear modes guided by step-index fibers with finite cladding thickness

A circular optical fiber consisting of a nonlinear core bounded by a nonlinear cladding with a finite thickness is considered here. In this paper, the influence of the cladding radius in comparison with the core radius in the Power – effective index relations P(/k ₀) is examined. Numerical results indicate that the radius ratio between the cladding and the core is an important factor in changing the Power – effective index relations P(/k ₀) when the cladding has a stronger nonlinearity than that of the core.     

Water sorption and polymer dynamics in hybrid poly(2-hydroxyethyl-co-ethyl acrylate)/silica hydrogels

This work probes the hydration properties and molecular dynamics of hybrid poly(hydroxyethyl-co-ethyl acrylate)/silica hydrogels. Two series of hybrid copolymers were prepared by simultaneous polymerization and silica preparation by sol-gel method, the first with hydroxyethyl acrylate/ethyl acrylate (HEA/EA) composition at 100/0, 90/10, 70/30, 50/50, 30/70, 10/90 and fixed silica content at 20 wt.%, and the second with fixed HEA/EA organic composition at 70/30 and 0, 5, 10 and 20 wt.% of silica. The hydration properties of these systems were studied at 25 °C by exposure to several controlled water vapor atmospheres (water activities 0-0.98) in sealed jars and by immersion in distilled water. Finally, the molecular dynamics of the hydrated hybrids at several levels of hydration was probed with Thermally Stimulated Depolarization Currents (TSDC) in the temperature interval between −150 and 20 °C. The results indicate that a critical region of silica content between 10 and 20 wt.% exists, above which silica is able to form an inorganic network. This silica network prevents the expansion of water clusters inside the hydrogels and subsequently the total stretching of the polymer network without obstructing the water sorption at the first stages of hydration from the dry state. As concerns the copolymer composition, the presence of EA reduces water sorption and formation of water clusters affecting directly to the hydrophilic regions. The TSDC thermograms reveal the presence of a single primary main broad peak denoted as α_cop relaxation process, which is closely related to the copolymer glass transition, and of a secondary relaxation process denoted as β_sw relaxation, which originates from the rotational motions of the lateral hydroxyl groups with attached water molecules. The single α_cop implies structural homogeneity at the nanoscale in HEA-rich samples (x_HEA > 0.5), while for high EA content (x_EA ? 0.5) phase separation is detected. Both relaxation processes show strong dependence on water content and organic phase composition.     

Optimizing conditions for the extraction of catechins from green tea using hot water

Six different factors involved in the extraction of catechins from green tea using water were examined for their impact on the yield of catechins and on the efficiency of water use. The best temperature and time combination for catechin extraction was at 80°C for 30 min. The yield of catechins was also optimal with a tea particle size of 1 mm, a brewing solution pH <6 and a tea‐to‐water ratio at 50:1 (mL/g). In terms of efficient use of water in a single extraction, a water‐to‐tea ratio of 20:1 (mL/g) gave the best results; 2.5 times less water was used per gram of green tea. At the water‐to‐tea ratio of 20:1 mL/g, the highest yield of catechins per gram of green tea was achieved by extracting the same sample of green tea twice. However, for the most efficient use of water, the best extraction was found to be once at a water‐to‐tea ratio of 12:1 (mL/g) and once at a water‐to‐tea ratio of 8:1 (mL/g). Therefore, all six of the factors investigated had an impact on the yield of catechins extracted from green tea using water and two had an impact on the efficiency of water use.     

Extending the eigCG algorithm to nonsymmetric Lanczos for linear systems with multiple right‐hand sides

The technique that was used to build the eigCG algorithm for sparse symmetric linear systems is extended to the nonsymmetric case using the BiCG algorithm. We show that, similar to the symmetric case, we can build an algorithm that is capable of computing a few smallest magnitude eigenvalues and their corresponding left and right eigenvectors of a nonsymmetric matrix using only a small window of the BiCG residuals while simultaneously solving a linear system with that matrix. For a system with multiple right‐hand sides, we give an algorithm that computes incrementally more eigenvalues while solving the first few systems and then uses the computed eigenvectors to deflate BiCGStab for the remaining systems. Our experiments on various test problems, including Lattice QCD, show the remarkable ability of eigBiCG to compute spectral approximations with accuracy comparable with that of the unrestarted, nonsymmetric Lanczos. Furthermore, our incremental eigBiCG followed by appropriately restarted and deflated BiCGStab provides a competitive method for systems with multiple right‐hand sides. Copyright © 2013 John Wiley & Sons, Ltd.     

A model for the analysis of nonlinear interactive problems between TE and TM waves based on the resonance technique

A simple and easily programmable approach based on the resonance method has been developed for analysing the nonlinear interaction between TE and TM waves. The model is oriented to be applicable to complicated nonlinear interactive problems, such as multilayer dielectric structures with arbitrary nonlinear media, two-dimensional nonlinear guides, nonisotropic nonlinear media, etc. In this paper, the five-layer waveguiding configuration containing two nonlinear media, along with a linear film of arbitrary refractive index profile, is treated.The dielectric tensor considered is of more general nonlinearity and not only the Kerr type. The theory is illustrated by a set of numerical results in which loci of interactive waves in the _TE–_TE plane, field profiles and guided powers are presented. Some useful conclusions are derived.     

Speech task effects on acoustic and aerodynamic measures of women with vocal nodules

Vowel prolongation is often used to evaluate disordered voice production. In light of previous findings showing that co-articulation has significant influence on laryngeal function measures, the practice of using prolonged vowels to represent a speech sample is questioned. To test whether disordered and normal voice during vowel production is generalizable to connected speech, three speaking tasks were investigated: sustained vowel prolongation, syllable repetition and reading. Statistical differences were found between these tasks for certain amplitude and time based laryngeal function measures for adult women with disordered and normal voice. However, for the specific measures which were statistically different, the actual numerical and perceptual differences may be quite small. From a clinical assessment standpoint, the choice of the speech task may not make an apparent difference in the objective evaluation of disordered voice.