A molecular thermodynamic approach to predict the secondary structure of homopolypeptides in aqueous systems.

Under physiological conditions, many polypeptide chains spontaneously fold into discrete and tightly packed three-dimensional structures. The folded polypeptide chain conformation is believed to represent a minimum Gibbs energy of the system, governed by the weak interactions that operate between the amino acid residues and between the residues and the solvent. A semiempirical molecular thermodynamic model is proposed to represent the Gibbs energy of folding of aqueous homopolypeptide systems. The model takes into consideration both the entropy contribution and the enthalpy contribution of folding homopolypeptide chains in aqueous solutions. The entropy contribution is derived from the Flory-Huggins expression for the entropy of mixing. It accounts for the entropy loss in folding a random-coiled polypeptide chain into a specific polypeptide conformation. The enthalpy contribution is derived from a molecular segment-based Non-Random Two Liquid (NRTL) local composition model [H. Renon and J. M. Prausnitz (1968) AIChE J., Vol. 14, pp. 135-142; C.-C. Chen and L. B. Evans (1986) AIChE J., Vol. 32, pp. 444-454], which takes into consideration of the residue-residue, residue-solvent, and solvent-solvent binary physical interactions along with the local compositions of amino acid residues in aqueous homopolypeptides. The UNIFAC group contribution method [A. Fredenslund, R. L. Jones, and J. M. Prausnitz (1975) AIChE J., 21, 1086-1099; A. Fredenslund, J. Gmehling, and P. Rasmussen (1977) Vapor-Liquid Equilibrium Using UNIFAC, Elsevier Scientific Publishing Company, Amsterdam], developed originally to estimate the excess Gibbs energy of solutions of small molecules, was used to estimate the NRTL binary interaction parameters. The model yields a hydrophobicity scale for the 20 amino acid side chains, which compares favorably with established scales [Y. Nozaki and C. Tanford (1971) Journal of Biological Chemistry, Vol. 46, pp. 2211-2217; E. B. Leodidis and T. A. Hatton (1990) Journal of Physical Chemistry, Vol. 94, pp. 6411-6420]. In addition, the model generates qualitatively correct thermodynamic constants and it accurately predicts thermodynamically favorable folding of a number of aqueous homopolypeptides from random-coiled states into alpha-helices. The model further facilitates estimation of the Zimm-Bragg helix growth parameter s and the nucleation parameter sigma for amino acid residues [B. H. Zimm and J. K. Bragg (1959) Journal of Chemical Physics, Vol. 31, pp. 526-535]. The calculated values of the two parameters fall into the ranges suggested by Zimm and Bragg.     

The functional morphology of the respiratory system of the Holothyrida (= Tetrastigmata) Acari: Anactinotrichida

The respiratory system of Holothyrus coccinella Gervais (Holothyridae) and Allothyrus australasiae (Womersley) (Allothyridae) were examined. The stigma-peritreme complex is connected to tracheae and ventilated by indirect muscles. The peritreme provides an alternative route for the entry of air into the tracheal system, should a stigma be occluded by debris and retards water vapour transpiration, the mechanisms of which are compared in the two species.     

The effect of inhibition of hexosemonophosphate shunt on the metabolism of glucose and function in rat brain in vivo

Rats treated 4 hr previously with 6-aminonicotinamide showed a twenty-four fold increase of [¹⁴C]phosphogluconate in the adult brain at 30 min after injection of [U-¹⁴C]glucose indicating a blockade of the hexosemonophosphate shunt. There was a significant increase in the¹⁴C-content of glucose and glucose 6-phosphate, and a decrease in that of amino acids. [¹⁴C]Phosphoglycerate content showed no consistent change after 6-aminonicotinamide treatment. The concentration of glucose and glucose 6-phosphate increased significantly without a significant change in the lactate pool in the brain of 6-aminonicotinamide treated rats. The rate of utilization of glucose in the brain of control rats was 0.73 mol/min per g of brain. It decreased by 16% in rats treated with 6-aminonicotinamide; the results suggested that both glycolysis and pyruvate oxidation were affected. The amount of glucose utilized in the brain by the hexosemonophosphate shunt was approximately 0.0093 mol/min per g of brain, i.e. 1.3% of the total rate of utilization of glucose. The observed changes were not due to hypothermia. The rate of glucose utilization was higher in animals exposed to higher ambient temperature and to stress caused by handling. The results were explained by postulating a role for the hexosemonophosphate shunt in providing neurotransmitter amino acids glutamate and -aminobutyrate, and interdependence of brain function and glucose utilization.This paper is dedicated to Dr. Derek Richter on his seventy-fifth birthday.     

Spectral evidence for a component involved in hydrogen metabolism of soybean nodule bacteroids

A component with a difference spectrum similar to that of b-type cytochromes which becomes reduced upon the addition of H₂ has been demonstrated in soybean nodule bacteroids. This electron carrier, referred to as component 559-H₂, is present in hydrogenase-positive strains of Rhizobium japonicum but has not been detected in mutants that lack hydrogenase activity or in hydrogenase-negative wild-type strains. A positive correlation between concentrations of component 559-H₂ and hydrogenase activities has been established. These results provide further evidence that component 559-H₂ is involved in H₂ metabolism in R. japonicum.     

Promotion of growth and hydrogen ion efflux by auxin in roots of maize pretreated with ethylene biosynthesis inhibitors

Low concentrations of auxin (e.g. 10⁻¹⁰m) do not promote the growth of intact seedling roots of maize (Zea mays L. Bear Hybrid WF 9 × 38). Higher concentrations are inhibitory. When the roots are pretreated with the ethylene biosynthesis inhibitors, cobalt and aminoethoxyvinylglycine, auxin (10⁻¹⁰ to 10⁻⁸m) strongly promotes their growth. The promotion of growth by auxin in pretreated roots is preceded by enhanced hydrogen ion secretion from the roots. The data indicate that hormone-enhanced hydrogen ion secretion may play a role in the rapid promotion of root growth by auxin. The ability of auxin to promote the growth of intact roots is discussed in relation to the Cholodny/Went hypothesis of hormonal control of root geotropism.     

Extrahelical bases in duplex DNA

The two non-complementary synthetic DNAs, poly[d(G-G-A)] and poly[d(T-C)] can form a duplex structure at moderate ionic strengths in which every other T is extrahelical:

Only this structure is consistent with the stoichiometry of formation and with the production of C? photodimers on ultraviolet light irradiation. Further characterization with respect to melting temperature and interaction with nuclease or damage-recognizing proteins is described.     

Tracheal slowly adapting stretch receptors: Theoretical models

Explanations and conditions given for the occurrence of diffusive structure in two-species ecosystem models do not generalize to systems with three or more species.     

Cyclic nucleotide metabolism and reactive oxygen production by macrophages

The production of reactive oxygen species by elicited rat peritoneal macrophages was assessed by $\text{in vitro}$ measurement of chemiluminescence in the presence of luminol. The divalent ion ionophore A23187 stimulated the production of reactive oxygen species. This action was inhibited by monobutyryl and dibutyryl derivatives of cyclic AMP but was not affected by derivates of cyclic GMP. Cyclic AMP and cyclic GMP concentrations increased rapidly in macrophages exposed to A23187 or zymosan. Indomethacin (20 μmol/1) inhibited the increase in cyclic AMP concentration but not the increase in cyclic GMP concentration. Neither A23187 nor zymosan stimulated adenylate cyclase activity in broken cell preparations of macrophages. The observations are consistent with the hypothesis that PGE produced by macrophages after phagocytotic stimuli may inhibit certain macrophage functions and perform a regulatory role in these cells. This action of PGE may be mediated by cyclic AMP.