Spin correlations in amorphous Bi2Sr2CaCu2Ox

Zero and longitudinal field SR has been used to probe the magnetic state of amorphous Bi₂Sr₂CaCu₂O_x prepared by rapid quenching from the melt. The results suggest quasi-static spin correlations between extremely dilute Cu²⁺ ions.Work performed while at the J J Thomson Physical Laboratory, University of Reading.     

A configuration interaction study of phosphine using bonded functions

A computational study is made of the effect of basis set upon the energy, properties and inversion barrier of the phosphine molecule. The calculations are performed at both the SCF and CI level. The flexibility of the double zeta basis is discussed in the light of the results.     

Assembly of colloidal particles into microwires using an alternating electric field

We have investigated the dielectrophoretic assembly of colloidal gold, carbon black, and carbon nanotubes into electrical wires. The resulting microwires have diameters less than 1 microm, with lengths ranging from 5 microm to 3 mm. Current-voltage curves for these wires indicate an ohmic response, where the resistance is determined by the type of colloid and by the frequency of the alternating field used to grow the wires. The predicted frequency dependence of dielectrophoresis is confirmed by experiment. Measurements of the threshold voltage for initial wire growth are also presented. These experiments demonstrate that a variety of nanoparticles can be assembled into microwires for sensor applications.     

The effect of thermal processing on PVC—III. Photo-oxidation of unstabilized PVC

The rate of photo-oxidation of unstabilized PVC is markedly dependent on the severity of the processing operation. In mildly processed PVC, peroxy gel appears to be a very effective photo-initiator whereas in more severely processed polymer, solvent soluble polymer containing polyconjugation, hydroperoxides and carbonyl groups is primarily responsible for photo-initiation. The auto-retardation of photo-oxidation which occurs in all samples is believed to be due to the build-up of a highly absorbing surface layer of degraded polymer.     

Reductive spiroannulation of nitriles with secondary electrophiles

The scope of reductive decyanation and spiroannulation reactions has been expanded to include secondary electrophiles for potentially useful transformations. Secondary phosphates and chlorides, as well as terminal epoxides, cyclize in a stereospecific fashion. Both endo and exo modes of cyclization were observed with terminal epoxides.     

Mass spectrometry of hop compounds—III. Mass spectra of substituted 1,3-cyclopentanediones derived from hop constituents

The mass spectra of isohumulones (IV, V), tetrahydroisocohumulones (VI, VII), tetrahydroisohumulones (VIII) neohydroisocohumulones (XI, XII) cohumulinic acid (III), lupuloxinic acid (XV), humulinone (XIV) and related compounds are described. Ions which appear to be diagnostic for particular structures are discussed.     

Spectrochemical determination of lithium,sodium, potassium and rubidium in rocks and minerals using the stallwood jet

A D C, spectrochemical method using the STALLWOOD jet has been developed for the determination of Li, Na, K and Rb in silicate minerals and rocks. Samples are mixed with graphite and Cs₂CO₃ in tho ratio 2 : 1 : 1, and Cs serves as internal standard. Precision and accuracy is satisfactory.     

Classification of binary mass spectra of toxic compounds with an inductive expert system and comparison with SIMCA class modeling

The performance of an inexpensive, inductive rule-building expert shell system, based on the ID3 algorithm, was compared to that of SIMCA class modeling in classifying the binary mass spectra of 78 toxic and related compounds. The compressed mass spectra consisted of 17 masses chosen by using information theory. The expert rules verified the six main classes and two subclasses found with SIMCA class modeling. These classes were: all benzenes and all alkanes/ alkenes (alka(e)nes); nonhalobenzenes, chlorobenzenes, bromoalka(e)nes, and chloroalka(e)nes; and mono-, dichloroalka(e)nes and polychloroalka(e)nes. Training set classification accuracies obtained with the expert system were 93–100% as opposed to 62–98% for SIMCA. For 73 compounds, the expert rules gave a classification accuracy of 97–100% vs. 79–96% for SIMCA. Predictive accuracy for the four main classes was 78%. In general, fewer masses were involved with the rules than with the SIMCA models, and the rules are normally optimized with regard to minimum number of steps in the rule, not minimum number of variables. The expert rules work best with closed sets of objects where all possibilities can be included in the training sets. The expert rules represent planes partitioning the multidimensional measurement space (hypercube) into a subvolume nearest the SIMCA cylinders for an appropriate class. Overall, the performance of the expert system was very good.