Principal component analysis of mass spectra of peptides generated from the tryptic digestion of protein mixtures

Principal component analysis (PCA) has been used to analyse mass spectral peptide profiles obtained from the enzymatic digestion of standard protein mixtures. Scores and loadings plots clearly revealed peptide fragments that differentiated one protein mixture from another. Peptide map search results identified with a high degree of certainty any additional proteins in these mixtures. As a proof-of-concept this methodology was applied to hepatic protein mixtures obtained from rats treated with two hepatotoxic compounds: methapyriline and SB-219994. Liver proteins were extracted, pre-separated by one-dimensional polyacrylamide gel electrophoresis, subjected to tryptic digestion and analysed by mass spectrometry. Two up-regulated proteins, glutathione S-transferase with methapyrilene and peroxisomal bifunctional enzyme with SB-219994, were identified in this manner.     

Designing new lyotropic amphiphilic mesogens to optimize the stability of nematic phases

The factors which govern the stability of lyotropic amphiphilic nematic phases are delineated and then used to design mesogens which give rise to stable N_C and N_D phases on dissolution in water. The synthesis and phase behaviour of novel discoid amphiphiles, designed to form N_C phases, are described.     

Ground state properties of the group IV ionic compound silicon carbide

The basic ground state properties of cubic silicon carbide are calculated fully ab initio using the Local Density Functional method and norm-conserving pseudopotentials, with atomic numbers and the crystal structure as the only inputs. The distribution of the valence charge density suggests that the bonding in SiC is essentially ionic.     

Mapping energy bands in layer compounds from the angular dependence of ultraviolet photoemission

Photoelectron energy spectra have been measured on the layer compounds 1T?TaSe₂ and 1T?TaS₂ at various polar angles of emission. The azimuthal angle was set to select only those photoelectrons propagating in a plane containing the ГMLA points of the Brillouin zone. The results are used to map energy-vs-wave-vector curves which are found to compare favorably with the first principles calculations of Mattheiss.     

Heat treatment of pure silica glass studied by positron annihilation

The crystallinity of silica glass fused from Brazilian quartz was studied by Doppler-broadening techniques after heat treatment in the temperature range between 1000°C and 1500°C. Paper F13 presented at 4th Internat'l Conf. Positron Annihilation, Helsing?r, Denmark (August 1976)     

Universal Formulae for SU Casson Invariants of Knots

An Casson invariant of a knot is an integer which can be thought of as an algebraic-topological count of the number of characters of representations of the knot group which take a longitude into a given conjugacy class. For fibered knots, these invariants can be characterized as Lefschetz numbers which, for generic conjugacy classes, can be computed using a recursive algorithm of Atiyah and Bott, as adapted by Frohman. Using a new idea to solve the Atiyah-Bott recursion (as simplified by Zagier), we derive universal formulae which explicitly compute the invariants for all . Our technique is based on our discovery that the generating functions associated to the relevant Lefschetz numbers (and polynomials) satisfy certain integral equations.

     

An integrated proteomic approach to studying glomerular nephrotoxicity

A single dose of puromycin aminonucleoside (PAN) given parenterally to rats induces ultrastructural glomerular changes and a nephrotic syndrome similar in many respects to human minimal change nephropathy. The exact aetiologies of both the human and the experimental syndromes are unknown, and are probably multifactorial. However, among the observed consequences in humans and rats is increased plasma protein excretion in urine, beginning in the latter typically 3-6 days after PAN administration. In view of this, two-dimensional polyacrylamide gel electrophoresis (2-D PAGE) has been used to profile urinary proteins during PAN-induced nephrotoxicity and subsequent recovery in the rat. In addition, urinary high performance liquid chromatography (HPLC) profiles and high resolution proton nuclear magnetic resonance (NMR) spectroscopy has been utilised to simultaneously detect toxin-induced changes in the relative concentrations of a number of metabolites. The proteomic approach, in conjunction with these other techniques, has the potential to provide significantly more mechanistic information than is provided readily by traditional clinical chemistry.     

Synthetic and X-ray diffraction studies of borosiloxane cages [R′Si(ORBO)3SiR′] and the adducts of [BuSi{O(PhB)O}3SiBu] with pyridine or N,N,N′,N′-tetramethylethylenediamine

Eleven borosiloxane [R′Si(ORBO)₃SiR′] compounds where R′ = Bu^t and R = Ph (1), 4-PhC₆H₄ (2), 4-Bu^tC₆H₄ (3), 3-NO₂C₆H₄ (4), 4-CH(O)C₆H₄ (5), CpFeC₅H₄ (6), 4-C(O)CH₃C₆H₄ (7), 4-ClC₆H₄ (8), 2,4-F₂C₆H₃ (9), and R′ = cyclo-C₆H₁₁ and R = Ph (10), and 4-BrC₆H₄ (11) have been synthesized and characterized by spectroscopic (IR, NMR), mass spectrometric and, for compounds where R′ = Bu^t and R = 4-PhC₆H₄ (2), 4-Bu^tC₆H₄ (3), 3-NO₂C₆H₄ (4), CpFeC₅H₄ (6) and 2,4-F₂C₆H₃ (9), X-ray diffraction studies. These compounds contain trigonal planar RBO₂ and tetrahedral R′SiO₃ units located around 11-atom “spherical” Si₂O₆B₃ cores. The dimensions of the Si₂O₆B₃ cores in compounds 2, 3, 4, 6 and 9 are remarkably similar. The reaction between [Bu^tSi{O(PhB)O}₃SiBu^t] (1), and excess pyridine yields the 1:1 adduct [Bu^tSi{O(PhB)O}SiBu^t]. NC₅H₅ (12) while the reaction between 1 and N,N,N′,N′-tetramethylethylenediamine in equimolar amounts affords a 2:1 borosiloxane:amine adduct [Bu^tSi{O(PhB)O}₃SiBu^t]₂ · Me₂NCH₂CH₂NMe₂ (13). Compounds 12 and 13 were characterised with IR and (¹H, ¹³C and¹¹B) NMR spectroscopies and the structure of the pyridine complex 12 was determined with X-ray techniques.