Phase transitions induced by microscopic disorder: A study based on the order parameter expansion

Based on the order parameter expansion, we present an approximate method which allows us to reduce large systems of coupled differential equations with diverse parameters to three equations: one for the global, mean field, variable and two which describe the fluctuations around this mean value. The method is based on a systematic perturbation expansion and can be applied around the vicinity of the homogeneous state. With this tool we analyze phase transitions induced by microscopic disorder in three prototypical models of phase transitions which have been studied previously in the presence of thermal noise. We study how macroscopic order is induced or destroyed by time-independent local disorder and analyze the limits of the approximation by comparing the results with the numerical solutions of the self-consistency equation which arises from the property of self-averaging. Finally, we carry on a finite-size analysis of the numerical results and calculate the corresponding critical exponents.     

Ultrasonic spectroscopy of pure cyclic compounds

Ultrasonic studies of the group of halogens of benzene and particularly dependence of acoustic parameters on the structure of organic liquids, demonstrate some interesting regularities in the group of these compounds in gas and liquid states. In this paper results for five cyclic liquids: bromo-, chloro-, fluoro- and jodobenzene are discussed and compared to benzene. Vibrational relaxation was observed in all the compounds. The studies reported here as well as other experimental for great number of compounds support the conclusion that almost all vibrational relaxation processes in liquids can be described using a single relaxation time. It also seems that all vibrational degrees of freedom of the molecule take part in this vibrational process. It seems that differences in transition probabilities between molecules studied could be caused by additional attraction between of molecules having a significant dipole moments.     

New 3,4-Annelated Coumarin Derivatives: Synthesis, Antimicrobial Activity, Antioxidant Capacity, and Molecular Modeling

The one pot reaction preparation, spectral analysis, and molecular modeling experiments on the new 3,4-annelated coumarin systems with bioactivity associated structural features are described. These provided the insight into the equilibrium of the respective tautomeric forms making possible the reconciliation of previously published spectral data with the structure assignments as well as the correction of erroneously established structures. The synthesized compounds were tested in a standard disk diffusion assay and displayed strong to moderate antimicrobial activity, with a promising new lead prototype compound (7-amino-9-hydroxy-5-oxa-7a,8,11-triazacyclopenta[b]phenanthren-6-one (5)) possessing greater activity that the antibiotics Ampicillin and Nystatin. Antioxidant capacities of the compounds, determined spectrophotometrically using a phosphomolybdenum method, were greater, and in the case of compound 5 four times the activity of α-tocopherol acetate.     

Sassafrins A-D, new antimicrobial azaphilones from the fungus Creosphaeria sassafras

Four new azaphilones named sassafrins A-D (1-4) were isolated from the methanol extract of the stromata of the fungus Creosphaeria sassafras (Xylariaceae, Ascomycetes). Their structures were elucidated by 2D NMR, HR-MS, IR, UV and CD spectroscopy. Sassafrin D (4) possesses a novel skeleton and its biosynthetic pathway is also discussed. In addition, all compounds showed broad-spectrum antimicrobial activity. Their apparently unique occurrence in C. sassafras supports the status of this fungus as a member of a distinct genus within the Xylariaceae, coinciding with molecular and morphological traits.     

Structural preferences of single-walled silica nanostructures: nanospheres and chemically stable nanotubes

Structural preferences of single-walled and coordinatively saturated spherical and tubular nanostructures of silica have been determined by ab initio calculations. Two families of spherical (SiO2)n clusters derived from Platonic solids and Archimedean polyhedra are depicted, with n ranging from 4-120. The analogue of a truncated icosidodecahedron, Ih-symmetric Si120O240, is favored in energy, closely followed by the Ih-symmetric Si60O120-truncated icosahedron. The silica nanotubes derived from spherical clusters are capped by Si2O2 rings, whereas the tubular section consists of single oxygen bridges. Periodic studies performed with open-ended silica nanotubes and the alpha-quartz polymorph of silica, along with a comparisons to fullerenes and carbon nanotubes, suggest that tubes with diameters of approximately 1 nm should be chemically stable.     

Improvement of the Antimicrobial Activity of Oregano Oil by Encapsulation in Chitosan—Alginate Nanoparticles

Oregano oil (OrO) possesses well-pronounced antimicrobial properties but its application is limited due to low water solubility and possible instability. The aim of this study was to evaluate the possibility to incorporate OrO in an aqueous dispersion of chitosan—alginate nanoparticles and how this will affect its antimicrobial activity. The encapsulation of OrO was performed by emulsification and consequent electrostatic gelation of both polysaccharides. OrO-loaded nanoparticles (OrO-NP) have small size (320 nm) and negative charge (−25 mV). The data from FTIR spectroscopy and XRD analyses reveal successful encapsulation of the oil into the nanoparticles. The results of thermogravimetry suggest improved thermal stability of the encapsulated oil. The minimal inhibitory concentrations of OrO-NP determined on a panel of Gram-positive and Gram-negative pathogens (ISO 20776-1:2006) are 4–32-fold lower than those of OrO. OrO-NP inhibit the respiratory activity of the bacteria (MTT assay) to a lower extent than OrO; however, the minimal bactericidal concentrations still remain significantly lower. OrO-NP exhibit significantly lower in vitro cytotoxicity than pure OrO on the HaCaT cell line as determined by ISO 10993-5:2009. The irritation test (ISO 10993-10) shows no signs of irritation or edema on the application site. In conclusion, the nanodelivery system of oregano oil possesses strong antimicrobial activity and is promising for development of food additives.     

The Chemistry of 5‐(Tetrazol‐1‐yl)‐2H‐tetrazole: An Extensive Study of Structural and Energetic Properties

5‐(Tetrazol‐1‐yl)‐2H‐tetrazole ( 1 ), or 1,5′‐bistetrazole, was synthesized by the cyclization of 5‐amino‐1H‐tetrazole, sodium azide and triethyl orthoformate in glacial acetic acid. A derivative of 1 , 2‐methyl‐5‐(tetrazol‐1‐yl)tetrazole ( 2 ) can be obtained by this method starting from 5‐amino‐2‐methyl‐tetrazole. Furthermore, selected salts of 1 with nitrogen‐rich and metal (alkali and transition metal) cations, including hydroxylammonium ( 4 ), triaminoguanidinium ( 5 ), copper(I) ( 8 ) and silver ( 9 ), as well as copper(II) complexes of both 1 and 2 were prepared. An intensive characterization of the compounds is given, including vibrational (IR, Raman) and multinuclear NMR spectroscopy, mass spectrometry, DSC and single‐crystal X‐ray diffraction. Their sensitivities towards physical stimuli (impact, friction, electrostatic) were determined according to Bundesamt für Materialforschung (BAM) standard methods. Energetic performance (detonation velocity, pressure, etc.) parameters were calculated with the EXPLO5 program, based on predicted heats of formation derived from enthalpies computed at the CBS‐4M level of theory and utilizing the atomization energy method. From the analytical and calculated data, their potential as energetic materials in different applications was evaluated and discussed.     

From perception to action: phase-locked gamma oscillations correlate with reaction times in a speeded response task

Background  

Phase-locked gamma oscillations have so far mainly been described in relation to perceptual processes such as sensation, attention or memory matching. Due to its very short latency (≈90 ms) such oscillations are a plausible candidate for very rapid integration of sensory and motor processes.