The volatile compounds from various parts of Echinops ilicifolius (Compositae) such as flowers, leaves and roots obtained by hydrodistillation (HD) and headspace solid-phase microextraction (HS-SPME) methods were subsequently analysed by GC and GC/MS and compared. Thirty-seven and 20 components of the flower of E. ilicifolius were characterized, representing 99.7% and 100.0% of the total compos...

In order to model complex heterogeneous biophysical macrostructures with non-trivial charge distributions such as globular proteins in water, it is important to evaluate the long range forces present in these systems accurately and efficiently. The Smooth Particle Mesh Ewald summation technique (SPME) is commonly used to determine the long range part of electrostatic energy in large scale molec...

The volatile components of Citrus aurantium L. flowers were characterized by GC-MS with two different extraction techniques, hydrodistillation (HD) and ultrasonic-assisted headspace solid phase microextraction (UA-HS-SPME). In the SPME method, the volatile components of the samples, irradiated by ultrasonic radiation, were collected on a polydimethyl siloxane (PDMS) commercial fiber as...

Two chemical approaches, Tenax extraction and matrix solid phase microextraction (matrix-SPME), were evaluated as surrogates to estimate bioavailability of polychlorinated biphenyls (PCBs) from field-contaminated sediment. Aroclor 1254 was the primary contaminant found in sediment from Crab Orchard Lake in Marion, Illinois, USA, and a total of 18 PCB congeners were selected for study. Bioaccumu...

Aqueous solutions of (14)C-labeled analogs of seven hydrophobic organic chemicals (HOCs) were subject to solid-phase microextraction (SPME) under static conditions to assess their multi-compartment distribution and to compare poly(dimethyl)siloxane (PDMS)-water partition coefficients (K(f) values) with previously reported values. To accomplish this, a protocol for quantitative desorption of rad...

A reliable and sensitive method for simultaneous determination of bisphenol A (BPA) and bisphenol F (BPF) in canned food by gas chromatography-mass spectrometry (GC/MS) is described after extraction and pre-concentration by a new solid-phase microextraction (SPME) adsorbent. The potential of single-walled carbon nanotubes (SWCNTs) as SPME adsorbent for the pre-concentration of environmental con...

A new method is described for the qualitative and quantitative analysis of cyanide, a very short-acting and powerful toxic agent, in human whole blood. It involves the conversion of cyanide into hydrogen cyanide and its subsequent headspace solid-phase microextraction (HS-SPME) and detection by gas chromatography/mass spectrometry (GC/MS) in selected ion monitoring (SIM) mode. Optimizing the co...

The determination of extremely small quantities of DNA from complex biological sample matrices represents a significant bottleneck in nucleic acid analysis. In this study, polymeric ionic liquid (PIL)-based solid-phase microextraction (SPME) was applied for the extraction and purification of DNA from crude bacterial cell lysate with subsequent quantification by real-time PCR (qPCR) analysis. Us...

A fase extratora de politiofeno (PTh), desenvolvida por eletropolimerização em haste de aço inox, foi avaliada para microextração em fase sólida (SPME) e análise por cromatografia líquida com detecção espectrofotométrica (LC-UV) de antidepressivos inibidores seletivos da recaptação de serotonina (citalopram, paroxetina, fluoxetina e sertralina) em amostras de plasma. A influência das variáveis ...

In computer simulations of bio-systems, charged soft matter, plasmas, and many more areas, advanced particle-mesh methods such as ParticleParticle Particle-Mesh (P3M) [1], Particle Mesh Ewald (PME) and Smooth Particle Mesh Ewald (SPME) [2], are commonly used to compute efficiently the long-range electrostatic interactions under periodic boundary conditions. These methods reduce the complexity o...