IUPAC has published a number of recommendations regarding the reporting of nuclear magnetic resonance (NMR) data, especially chemical shifts. The most recent publication [Pure Appl. Chem. 73, 1795 (2001)] recommended that tetramethylsilane (TMS) serve as a universal reference for reporting the shifts of all nuclides, but it deferred recommendations for several aspects of this subject. This docu...

the physical and chemical properties of pyrazole and pyrazoline molecules were theoreticallystudied by gaussian 03, software with nmr and molecular orbital calculations at b3lyp/6-31g andb3lyp/6-31+g(d) levels, in gas phase and solution. in this study a comparison effect of threesolvents with different dielectric constants on pyrazole and pyrazoline molecules in aspect energyinteraction between...

The effect of chemical reactions on the blast initiation of detonation in gaseous media has been investigated in this paper. Analytical method is based on the numerical solution of onedimensional reactive Euler equations. So far, analyses on the blast initiation of detonation have modeled the combustion process as a one-step chemical reaction, which follows the Arrhenius rate law. Previous stud...

The chemical composition of cork was determined, following a sampling that covered the whole production area in Portugal (29 provenances from six regions) with samples taken at cork stripping. To analyse between population variations, a more intensive sampling was made in two locations. The overall mean chemical composition of cork was: extractives 16.2% (dichloromethane 5.8%, ethanol 5.9%, wat...

Electro-static potentials for samples with the topology of a ring and penetrated by an Aharonov-Bohm flux are discussed. The sensitivity of the electron-density distribution to small variations in the flux generates an effective electro-static potential which is itself a periodic function of flux. We investigate a simple model in which the flux sensitive potential leads to a persistent current ...

BACKGROUND The aim of the present study was to appraise variation in the chemical composition, and antimicrobial and cytotoxic activities of essential oils from the leaves of four Mentha species-M. arvensis, M. piperita, M. longifolia and M. spicata-as affected by harvesting season. Disc diffusion and broth microdilution susceptibility assays were used to evaluate the antimicrobial activity of ...

RNAs are central to all gene expression through the control of protein synthesis. Four major nucleosides, adenosine, guanosine, cytidine and uridine, compose RNAs and provide sequence variation, but are limited in contributions to structural variation as well as distinct chemical properties. The ability of RNAs to play multiple roles in cellular metabolism is made possible by extensive variatio...

BACKGROUND AND AIMS Fine root decomposition is an important determinant of nutrient and carbon cycling in grasslands; however, little is known about the factors controlling root decomposition among species. Our aim was to investigate whether interspecific variation in the potential decomposition rate of fine roots could be accounted for by root chemical and morphological traits, life history an...

Eumelanin (brown/black melanin) and pheomelanin (red/yellow melanin) in human hair can be quantified using chemical methods or approximated using spectrophotometric methods. Chemical methods consume greater resources, making them less attractive for epidemiological studies. This investigation sought to identify the spectrophotometric measures that best explain the light-dark continuum of hair c...