Applicability of a continuum solvation model to the octanol water transfer: CFF91 based model for amino acids

A continuum hydration model based upon the atomic charges provided with the CFF91 force field [A. B. Schmidt and R. M. Fine (1994) Molecular Simulation, 13. 347–365] has been extended to the octanol–water transfer. The electrostatic component of the transfer free energy is calculated using the finite-difference solution to the Poisson–Boltzmann equation while the nonpolar contributions are assumed to be proportional to the solute-excluded volume in water. All atomic charges and radii besides the aromatic carbon radius are equal in both solvents. The octanol dielectric constant and the probe radius are the main fitting parameters defining the octanol phase. The model has been tested for 38 organic molecules related to the amino acid residues and generally provides a high accuracy. In particular, the mean unsigned error for N-acetyl amino acid amides is 0.5 kcal/mol. © 1995 John Wiley & Sons, Inc.     

The response of tomato roots (Lycopersicon esculentum Mill.) to iron deficiency stress: alterations in the pattern of protein synthesis

Dicotyledon plants adapt to iron (Fe) deficiency through a seriesof reactions that increase the ability of the plant to assimilateFe and to increase the efficiency of Fe utilization. In an attemptto gain an insight into these adaptive processes, the specificchanges in protein synthesis associated with the onset of theFe deficiency response in tomato roots (Lycopersicon esculentumMill cv. Rutgers) have been investigated. Roots were grown underFe—sufficient and —deficient conditions, and thepattern of protein synthesis was analysed by in vitro translationof root mRNA and by in vivo labelling of root proteins. Polypeptideswere resolved by two—dimensional polyacrylamide gel elec—trophoresis.Seven polypeptides were identified by in vitro translation,whose synthesis was significantly increased during Fe deficiency.The increase was probably specific to Fe deficiency in thatthe polypep—tide synthesis was not increased during phosphatedeficiency stress, was less prominent following prolonged Fedeficiency and was decreased following re—supply of Feto the hydroponic medium. The pattern of in vitro translation of mRNA isolated from Fe—deficientroots was compared to the results obtainedin vivo followingradiolabelling of proteins. In these analyses, eight polypeptideswere identified, tentatively including the seven polypeptidespreviously identified by in vitro translation. All polypeptideswere characterized with regard to molecular mass and pl andtheir localization in the cell, whether being membrane boundor soluble. It is suggested that members of this group of polypeptidesare involved in the response of the root to Fe deficiency: althoughtheir functions remain to be identified. Key words: In vitro protein synthesis, iron, iron deficiency, root, 2-dimensional PAGE     

Reduction of Nitrated Diphenylamine Derivatives under Anaerobic Conditions

2-Nitrodiphenylamine, 4-nitrodiphenylamine, and 2,4-dinitrodiphenylamine were anaerobically metabolized in sediment-water batch enrichments inoculated with mud from the German North Sea coast. The first intermediate in 2,4-dinitrodiphenylamine degradation was 2-amino-4-nitrodiphenylamine, which appeared in large (nearly stoichiometric) amounts before being completely reduced to 2,4-diaminodiphenylamine. Of the second theoretically expected metabolite, 4-amino-2-nitrodiphenylamine, only traces were detected by gas chromatographic-mass spectrometric analysis in highly concentrated extracts. In addition, low levels of 4-nitrodiphenylamine, which may be the product of ortho deamination of intermediately produced 2-amino-4-nitrodiphenylamine, were observed. 2-Nitrodiphenylamine and 4-nitrodiphenylamine were primarily reduced to 2-aminodiphenylamine and 4-aminodiphenylamine, respectively. Diphenylamine was never detected in any experiment as a theoretically possible intermediate. Results from studies with dense cell suspensions of anaerobic, aromatic-compound-mineralizing bacteria confirmed the transformation reactions, which were carried out by microorganisms indigenous to the anaerobic coastal water sediment.     

Are the funnel-canal organs the “campaniform sensilla” of the shore crab Carcinus maenas (Crustacea,Decapoda)?

Summary The topography of the funnel-canal organs of Carcinus maenas (Decapoda, Crustacea) and their stimulus-receiving cuticular and sensory apparatus were studied in the light and electron microscopes.About 4000 funnel-canal organs are situated within the exoskeleton of Carcinus. Almost all of them are on the distal segments of the walking legs, in particular on the epicuticular cap at the tip of the dactyl. They were not found to be arranged in groups or sensilla fields, and no sex-specific differences were observed.Characteristic features of the funnel-canal organs are as follows: (a) There is a terminal pore (0.5×0.8 m diameter) in the cuticle, at the tip of a small projection. It is closed by a plug of electron-dense material. (b) The terminal sections of the dendrites are enclosed in a dendritic sheath up to ca. 10 m below the pore. (c) The dendrites, 3–24 in number, end below the plug; none of the dendrites exhibits a tubular body; two of the dendrites are distinguished from the others by the greater number of microtubules in their outer segments.The structural characteristics, in particular the gustatory pore and the number of dendrites, are typical of bimodal receptors in arthropods. In such receptors, as in the contact chemoreceptors of insects and arachnids, mechano-and chemosensitive sensory cells are combined.This interpretation of the function of the funnel-canal organs is supported by electrophysiological data of other authors.The morphological parameters we find for the funnelcanal organs, in comparison with those of insect campaniform sensilla, provide clear evidence against the reclassification of the funnel-canal organs as crustacean campaniform organs proposed by Shelton and Laverack (1968).Supported by the Deutsche Forschungsgemeinschaft (W.G., SFB 45/A1)We thank Professor Dr. F.G. Barth for valuable discussion and Mr. K. Grommet for drawing the Figs. 1 and 6c     

Studies on the (pro) insulin biosynthesis of islets of Langerhans of sand rats (Psammomys obesus).

By feeding a regular laboratory chow, sand rats (Psammomys obesus) from our breeding colony gained different body weights, though they received approximately the same quantity of calories. Sand rats, reaching a body weight above 160 g (group B) showed significantly increased blood glucose values in contrast to the animals with a body weight under 160 g (group A). Isolated pancreatic islets of these two groups of sand rats were incubated with [3H]-leucine to study the incorporation of this amino acid into proinsulin and insulin. The incorporation into proteins of pancreatic islets of sand rats of group B was stimulated by 0.45 mg and 3.0 mg/ml glucose. In group A there was no further stimulation from 0.45 mg to 3.0 mg/ml glucose. Insulin secretion could be stimulated by glucose in both groups, but the stimulation was stronger in group B than in group A.     

Tetrahydrofolate-dependent biosynthesis of ribothymidine in transfer ribonucleic acids of Gram-positive bacteria.

Trimethoprim, an inhibitor that prevents tetrahydrofolate-dependent transmethylation reactions inbacteria, was used in a comparative study to discriminate between two possible biosynthetic pathways, either the S-adenosylmethionine or the tetrahydrofolate-dependent formation of ribothymidine (rT) in transfer ribonucleic acids (tRNA's) of several strains of gram-positive and gram-negative microorganisms. rT-deficient tRNA's accumulate in trimethoprim-treated gram-positive Streptococcus faecium, Staphylococcus aureus, Corynebacterium bovis, Arthrobacter albidus, and all examined Bacillaceae, except Bacillus stearothermophilus. The rT-deficient rT-deficient tRNA's accept the methyl moiety from S-adenosylmethionine in vitro, with extracts from Escherichia coli (wild type) as a source of methylating enzymes; 90% of the incorporated methyl groups are present in rT. Trimethoprim does not inhibit the biosynthesis of rT in tRNA of gram-negative Enterobacteriaceae, Rhizobium lupini, and Pseudomonadaceae, suggesting that the rT-specific tRNA methyltransferases of these gram-negative strains use S-adenosylmethionine as coenzyme.     

Proton magnetic relaxation dispersion in solutions of the cuproprotein diamine oxidase.

Proton nuclear magnetic resonance relaxation measurements were made over the range 4.7--220 MHz for aqueous solutions of hog kidney diamine oxidase. The values of 1/T1 give rise in two distinct dispersions, at 16 and 75 MHz, whereas 1/T2 displays a minimum at 20 MHz. The temperature dependence of relaxation rates in all cases yield apparent activation energies less than 0.6 kcal/mol. These data indicate to us that the two Cu(II) ions of diamine oxidase are intrinsically different in terms of their electronic relaxation characteristics and hence, chemical environments. Low field limits of the two electronic relaxation times are 2 and 10 ns, with one of these correlation times being frequency dependent. The value of the frequency-dependent electronic relaxation time is governed by interactions that are modulated by a process having a correlation time of 5 ps.     

Revision derThymus-Arten vonPh. M. Opiz

Durch Herbar- und Literaturstudien wurden 72 Namen vonThymus-Sippen (64 Arten, 8 infraspezifische Taxa), diePh. M. Opiz erstmalig publizierte oder auf Herbaretiketten hinterliess, festgestellt. Fast alle diese Namen gingen durchOpiz selbst oder spätere Autoren in die Literatur ein, wenn auch oft nur als nomina nuda. Für alle vonOpiz oder später auf der Basis seiner handschriftlichen Diagnosen oder Herbarexemplare gültig veröffentlichten Namen wird—soweit möglich—der Typus angegeben oder ein Lectotypus gewählt. Die Typisierung ermöglichte die Zuordnung der vonOpiz und denanderen Autoren beschriebenen Taxa zu den mitteleuropäischen Arten und Unterarten, die zur Erläuterung der dabei berücksichtigten Artauffassung in einer Übersicht zusammengestellt werden. Sämtliche aufOpiz zurückgehendenThymus-Namen werden diskutiert und die Revisionsergebnisse aller durchgesehenen authentischen Herbarexemplare angegeben. Die Resultate der nomenklatorischen und taxonomischen Studien werden in Listen zusammengefasst. Auf der Grundlage eines Exsikkates vonOpiz wird eine neue Varietät beschrieben:Thymus alpestris var.opizianus var. nov.