Photovoltaic cells involving the nonconjugated conductive polymer,iodine-doped cis-poly(isoprene)

Novel photovoltaic cells involving a nonconjugated conductive polymer have been fabricated using titanium dioxide/doped cis-1,4-poly(isoprene)/carbon on ITO coated PET substrates. Photocurrents and photo-voltages for different intensities of light (emission at 300–700 nm) have been measured. These cells have shown significantly higher photocurrents and photo-voltages compared to previous reports. A photocurrent density of about 0.27 mA/cm2 and a photo-voltage of 0.73 V have been measured for a light intensity of ～4 mW/cm².     

Evaluation of purge-and-trap-high-resolution gas chromatography-mass spectrometry for the determination of 27 volatile organic compounds in marine water at the ng l(-1) concentration level

Purge-and-trap combined with high-resolution gas chromatography and detection by mass spectrometry was evaluated for the analysis of 27 volatile organic compounds (VOCs) in marine water samples down to ng l(-1) concentration levels. The target compounds included chlorinated alkanes and alkenes, monocyclic aromatic hydrocarbons and chlorinated monocyclic aromatic hydrocarbons and covered a wide range of VOCs of environmental interest. Limits of detection ranged from 0.15 ng l(-1) to 6.57 ng l(-1) for all VOCs, except for dichloromethane (41.07 ng l(-1)), chloroform (19.74 ng l(-1)), benzene (22.05 ng l(-1)) and 1,4-dichlorobenzene (20.43 ng l(-1)). Precision and accuracy were determined at a concentration level of 25.97 to 66.68 ng l(-1). Besides method validation, emphasis was put on quality control and assessment during routine determination of VOCs in marine water samples. Analytical quality control charts were plotted for all VOCs and a standard addition test was performed, as proposed by the QUASIMEME (Quality Assurance of Information in Marine Environmental Monitoring Programmes in Europe) working group. The analytical charts were incorporated in a working scheme containing guidelines to be applied during routine determinations, ensuring the long time reliability of the analytical method. Results yielded by the QUASIMEME interlaboratory exercise on organohalogen measurements in seawater are presented. The exercise was attended by seven out of eight laboratories who agreed to participate. Samples taken along the Scheldt estuary, from Breskens (The Netherlands) to Temse (Antwerp, Belgium) were analysed according to the developed technique. Concentrations as low as 0.33 ng l(-1) (1,2-dichloropropane) were detected near the mouth of the river Scheldt, while concentrations up to 326 ng l(-1) for tetrachloroethene and 461 ng l(-1) for cyclohexane were found in the vicinity of Antwerp.     

Scope and limitations of a new highly selective synthesis of unsymmetrical monomers for the synthesis of precursors toward poly(arylenevinylene)s

In our laboratory a precursor route to poly(p-phenylenevinylene) derivatives is developed in which unsymmetrically substituted p-xylene derivatives, possessing a benzylic sulfinylalkyl group, are used as monomers. Because of this unsymmetry, we were forced to investigate thoroughly the synthesis of these sulfoxides, as we start from symmetric and readily accessible molecules, namely, bis(halomethyl)-p-xylene derivatives. In a former publication, a new extremely effective route for the production of these unsymmetrically substituted sulfinyl monomers was presented. This paper expands upon these previously reported results. To examine the scope and limitations of this elegant route, this new method was applied to the synthesis of various derivatives not included in the initial work.     

Determination of reducing end sugar residues in oligo- and polysaccharides by gas-liquid chromatography

Reducing end sugar residues in maltodextrins and arabinoxylans are determined as alditol acetates by gas-liquid chromatography following reduction, acid hydrolysis and acetylation of the samples. After this conversion to alditol acetates, the reducing end sugars are thus separated from their acetylated aldose counterparts. The method allows to identify individual reducing end sugars quantitatively and is a good alternative for colorimetric reducing sugar assays and 1H-NMR analysis. To demonstrate the advantages of the method, an application in a study of enzymic solubilisation and degradation of water unextractable arabinoxylan from a flour squeegee fraction is described.     

The influence of Sr and Fe on the conductance of magnetoresistant compounds

Single-phase giant magnetoresistance (GMR) compounds were prepared by doping the parent compound, NdMnO₃, with Sr at Nd sites. The resistivity of the doped samples showed two prominent regions (Δρ/ΔT < 0, insulating and Δρ/ΔT > 0, metallic). The doped samples exhibited an enhancement in double exchange (DE) interactions causing an increase in T _c (transition temperature). Magnetic field decreased the resistance of all the samples because of the suppression of spin fluctuations and an increase in disorder in the system. The polaron and variable range hopping (VRH) models were good for studying the transport mechanism of electrons and understand their behavior at T > T _c.     

DFT-calculated structure of protonated tetraphenyl p - tert -butylcalix[4]arene tetraketone

Using DFT calculations, two of the most probable structures (A, B) of the tetraphenyl p-tert-butylcalix[4]arene tetraketone·H₃O⁺ cationic complex species were derived. The hydroxonium ion H₃O⁺, placed in the coordination cavity formed by the calix[4]arene lower-rim groups, is bound by strong hydrogen bonds to the phenoxy oxygen atoms of the calix[4]arene ligand (structures A, B) and also to one carbonyl oxygen (structure B).     

Phosphoramidite building blocks for efficient incorporation of 2′-O-aminoethoxy(and propoxy)methyl nucleosides into oligonucleotides

A simple and efficient method for the preparation of eight phosphoramidite building blocks for incorporation of 2′-O-(2-aminoethoxymethyl)ribonucleosides and 2′-O-(3-aminopropoxymethyl)ribonucleosides into synthetic oligonucleotides has been developed. The synthetic routes are maximally convergent and provide sufficient amounts of phosphoramidites for several solid-phase synthesis coupling reactions. Using acyclic derivatives 17a,b the overall yields of phosphoramidites 2 and 3 were increased up to 50% for pyrimidine nucleosides and up to 30% for purine derivatives with substantial decrease of total reaction steps. The 2′-O-substituent was found to be stable during oligonucleotide synthesis. The resulting oligonucleotides are of particular interest for post-synthetic functionalization and conjugation.     

Information theoretical study of chirality: enantiomers with one and two asymmetric centra

In this work, the Kullback-Leibler information deficiency is probed as a chirality measure. It is argued that the information deficiency, calculated using the shape functions of the R and S enantiomers, considering one as reference for the other, gives an information theory based expression useful for quantifying chirality. The measure is evaluated for five chiral halomethanes possessing one asymmetric carbon atom with hydrogen, fluorine, chlorine, bromine, and iodine as substituents. To demonstrate the general applicability, a study of two halogen-substituted ethanes possessing two asymmetric carbon atoms has been included as well. The basic expression of the sum of the local information deficiency over all atoms can be decomposed into separate summations over coinciding and noncoinciding atoms, or into a global and a mixing entropy term, or into a local entropy contribution for each atom individually based on the Hirshfeld partitioning. Avnir's continuous chirality measure (CCM) has been computed and confronted with the information deficiency. Finally, the relationship between chirality and optical rotation is used to study the proposed measure. The results illustrate Mezey's holographic electron density theorem with an intuitively appealing division of the strength of propagation of the atomic chirality from an asymmetric carbon atom throughout the molecule. The local information deficiency of the carbon atom is proposed as a measure of chirality; more precisely, the difference in information between the R and the S enantiomer turns out to be a quantitative measure of the chirality of the system. It may be evaluated as the arithmetic mean of the different alignments, or considering only the alignment resulting in the highest similarity value, or using the QSSA alignment.