RP-HPLC determination of water-soluble vitamins in honey

The assessment and validation of reliable analytical methods for the determination of vitamins in sugar-based matrices (e.g. honey) are still scarcely explored fields of research. This study proposes and fully validates a simple and fast RP-HPLC method for the simultaneous determination of five water-soluble vitamins (vitamin B₂, riboflavin; vitamin B₃, nicotinic acid; vitamin B₅, pantothenic acid; vitamin B₉, folic acid; and vitamin C, ascorbic acid) in honey. The method provides low detection and quantification limits, very good linearity in a large concentration interval, very good precision, and the absence of any bias. It has been successfully applied to 28 honey samples (mainly from Sardinia, Italy) of 12 different botanical origins. While the overall amount of the analytes in the samples is quite low (always below 40 mg kg⁻¹), we have observed a marked dependence of some of their concentrations (i.e. vitamin B₃ and vitamin B₅) and the botanical origin of the honey. This insight might lead to important characterization features for this food item.     

Development of a parallel molecular dynamics code on SIMD computers: Algorithm for use of pair list criterion

In recent years several implementations of molecular dynamics (MD) codes have been reported on multiple instruction multiple data (MIMD) machines. However, very few implementations of MD codes on single instruction multiple data (SIMD) machines have been reported. The difficulty in using pair lists of nonbonded interactions is the major problem with MD codes for SIMD machines, such that, generally, the full connectivity computation has been used. We present an algorithm, the global cut-off algorithm (GCA), which permits the use of pair lists on SIMD machines. GCA is based on a probabilistic approach and requires the cut-off condition to be simultaneously verified on all nodes of the machine. The MD code used was taken from the GROMOS package; only the routines involved in the pair lists and in the computation of nonbonded interactions were rewritten for a parallel architecture. The remaining calculations were performed on the host computer. The algorithm has been tested on Quadrics computers for configurations of 32, 128, and 512 processors and for systems of 4000, 8000, 15,000, and 30,000 particles. Quadrics was developed by Istituto Nazionale di Fisica Nucleare (INFN) and marketed by Alenia Spazio. © 1998 John Wiley & Sons, Inc. J Comput Chem 19: 685–694, 1998     

High strength modified nanofibrillated cellulose-polyvinyl alcohol films

In this study surface-modified nanofibrillated cellulose (NFC) was used at low levels (0.5 to1.5 wt%) as a reinforcement in a polyvinyl alcohol (PVA) matrix. The modified-NFC–PVA composite films prepared using the solution casting technique showed improved mechanical performance. Birch pulp cellulose was initially modified by allylation using a solvent-free, dry modification method followed by subsequent epoxidation of the allyl groups and finally grinding the pulp to yield epoxy-NFC. In order to obtain optimal mechanical performance, epoxy-NFC with different degrees of substitution was evaluated in the reinforcement of PVA. The addition of 1 wt% epoxy-NFC (degree of substitution, DS 0.07) enhanced the modulus, strength, and strain of pure PVA film by 307, 139 and 23 %, respectively, thus producing the best performing film. The results demonstrate the favourable effect of chemically functionalized NFC on the mechanical properties of polyvinyl alcohol compared to unmodified NFC as reinforcement. In order to improve industrial and economic feasibility, the manufacture of the composite was also done in situ by grinding cellulose directly in PVA to produce the new biocomposite in a one-step process.     

Folding Patterns in a Family of Oligoamide Foldamers

A series of small, unsymmetrical pyridine‐2,6‐dicarboxylamide oligoamide foldamers with varying lengths and substituents at the end groups were synthetized to study their conformational properties and folding patterns. The @‐type folding pattern resembled the oxyanion‐hole motifs of enzymes, but several alternative folding patterns could also be characterized. Computational studies revealed several alternative conformers of nearly equal stability. These folding patterns differed from each other in their intramolecular hydrogen‐bonding patterns and aryl–aryl interactions. In the solid state, the foldamers adopted either the globular @‐type fold or the more extended S‐type conformers, which were very similar to those foldamers obtained computationally. In some cases, the same foldamer molecule could even crystallize into two different folding patterns, thus confirming that the different folding patterns are very close in energy in spite of their completely different shapes. Finally, the best match for the observed NOE interactions in the liquid state was a conformation that matched the computationally characterized helix‐type fold.     

Low temperature plasma assisted atomic layer deposition in nitrogen carrier gas studied by optical emission spectroscopy

A low temperature plasma assisted atomic layer deposition process from tetrakis (dimethylamino)-titanium (TDMAT) and oxygen plasma was investigated using optical emission spectroscopy in a commercial TFS-500 atomic layer deposition reactor in industrial-like conditions with different plasma powers to optimize the plasma-assisted deposition process and to develop a tool for process control. The major emitting species recognized were the nitrogen first followed by the second positive system, carbon monoxide, nitrogen monoxide (γ)-system, atomic carbon and atomic nitrogen. The process measurements were compared to background measurements to see the process induced differences. CH _x appearance in the plasma lowered the intensities of CO, NO and N₂ 1st⁺ system peaks. Also, the nitrogen atom content varied in the process measurements. By monitoring the affected species and vibrational temperature, the effect of TDMAT oxidation on the surface could be seen through the resulting changes in the plasma emission.     

Spectroscopy and single-particle structure of the odd- Z heavy elements 255Lr, 251Md and 247Es

The odd-Z isotope ²⁵⁵Lr, its daughter ²⁵¹Md and grand-daughter ²⁴⁷Es were studied in two experiments performed at GANIL and the University of Jyv?skyl?. The ²⁵⁵Lr nuclei were produced using the cold fusion-evaporation reaction ²⁰⁹Bi(⁴⁸Ca, 2n)²⁵⁵Lr at a bombarding energy of 217MeV. The single-particle structure and decay properties were investigated using α, γ and electron spectroscopy. The ground-state spin and parity could be assigned for ²⁵⁵Lr (1/2^-) and ²⁵¹Md (7/2^-). States corresponding to the 7/2⁺[633], 7/2^-[514] and 1/2^-[521] Nilsson orbitals were observed. Results are compared to experimental data obtained in neighbouring isotopes and to Hartree-Fock-Bogoliubov calculations using the Skyrme interaction SLy4 and a density-dependent pairing interaction. The position of the 1/2^-[521] orbital from the spherical 2f _5/2 shell is discussed.     

Gas chromatography analysis of major free mono‐ and disaccharides in milk: Method assessment,validation, and application to real samples

Saccharides are functional constituents of milk. Although d ‐lactose represents almost the totality of the saccharides in the milk, minor species, like d ‐glucose, d ‐galactose, myo‐inositol and, as a result of severe thermal treatments, monosaccharides like d ‐tagatose, are also detectable. Although chromatography has been the main analytical approach used for accomplishing this task, quite surprisingly a validated gas chromatographic method aimed at the simultaneous determination of these compounds is still needed. Hence, our contribution is devoted to fill this gap. After the optimization of clean‐up and derivatization (conversion of saccharides in their trimethyl silyl ethers) steps, the adoption of a highly cross‐linked silphenylene stationary phase permitted to obtain high resolution and a fast chromatographic run. Validation was accomplished in terms of limit of detection, limit of quantification, linearity, precision, and trueness. The accuracy of the method was successfully tested on a number of partially skimmed milk samples. Excellent limits of detection for all analytes make this method eligible, also with respect to a gas chromatographic/mass spectrometry approach, for routine analysis and quality control in the dairy industries.     

Identification of excited states in the T(z) = 1 nucleus (110)Xe: evidence for enhanced collectivity near the N=Z=50 double shell closure

Gamma-ray transitions have been identified for the first time in the extremely neutron-deficient (N=Z+2) nucleus (110)Xe, and the energies of the three lowest excited states in the ground-state band have been deduced. The results establish a breaking of the normal trend of increasing first excited 2(+) and 4(+) level energies as a function of the decreasing neutron number as the N=50 major shell gap is approached for the neutron-deficient Xe isotopes. This unusual feature is suggested to be an effect of enhanced collectivity, possibly arising from isoscalar n-p interactions becoming increasingly important close to the N=Z line.