B3LYP/6-311++G** study of alpha- and beta-D-glucopyranose and 1,5-anhydro-D-glucitol: 4C1 and 1C4 chairs, (3,O)B and B(3,O) boats, and skew-boat conformations.

Geometry optimization, at the B3LYP/6-311++G** level of theory, was carried out on 4C1 and 1C4 chairs, (3,O)B and B(3,O) boats, and skew-boat conformations of alpha- and beta-D-glucopyranose. Similar calculations on 1,5-anhydro-D-glucitol allowed examination of the effect of removal of the 1-hydroxy group on the energy preference of the hydroxymethyl rotamers. Stable minimum energy boat conformers of glucose were found, as were stable skew boats, all having energies ranging from approximately 4-15 kcal/mol above the global energy 4C1 chair conformation.

Our heels are praying very hard all day.

In this article, prayer is represented not as a single or individual action, but as an entirely integrated part of nursing work. Case examples from American, Irish, and Australian Catholic women's religious congregations who nursed in hospitals in the 19th century are used to analyze the significance of prayer to Catholic sisters' nursing. The issue highlighted in this historical examination of prayer is the power of the sickroom (particularly the deathbed scene) in the battle for souls.

Expression of Tri15 in Fusarium sporotrichioides.

In the fungus Fusarium sporotrichioides, biosynthesis of trichothecene mycotoxins requires at least three genetic loci: a core 12-gene cluster, a smaller two-gene cluster, and a single-gene locus. Here, we describe the Tri15 gene, which represents a fourth locus involved in trichothecene biosynthesis. Tri15 is predicted to encode a Cys(2)-His(2 )zinc finger protein and is expressed in a manner similar to genes in the core trichothecene gene cluster.

Distribution of the glutamine synthetase isozyme GSp1 in maize (Zea mays).

In maize (Zea mays L.), GSp1, the predominant GS isozyme of the developing kernel, is abundant in the pedicel and pericarp, but absent from the endosperm and embryo. Determinations of GSp1 tissue distribution in vegetative tissues have been limited thus far to root and leaves, where the isozyme is absent.

Biotechnological production and applications of pullulan.

Pullulan is a unique biopolymer with many useful traits and hundreds of patented applications. However, despite the fact that pullulan has been in commercial production for more than 25 years, few of these potential uses have been widely adopted. In large part this may be due to the relatively high price of pullulan.

Penicillium brocae, a new species associated with the coffee berry borer in Chiapas, Mexico.

Penicillium brocae is a new monoverticillate species isolated from coffee berry borers collected at coffee plantations in Mexico near Cacahoatán, Chiapas, and from borers reared on artificial diets at ECOSUR laboratory facilities in Tapachula, Chiapas. Phenotypically, it is in Penicillium series Implicatum, but because it does not conform to known species we have described it as new. ITS and large subunit rDNA were sequenced and compared to determine the phylogenetic position of this species.

Superstitiousness and perceived anxiety control as predictors of psychological distress.

It has been suggested that superstitiousness may be a subclinical manifestation of obsessive-compulsive symptomatology. The present study examined whether the relationship between superstitiousness and obsessive-compulsive symptoms was exclusive or whether superstitiousness was a less specific construct. A sample of undergraduates (n=191) completed measures associated with superstitiousness, obsessive-compulsive symptoms, symptoms of anxiety disorders other than obsessive-compulsive disorder (panic symptoms, agoraphobic cognitions, worry, and social fears), general psychological distress (anxiety, depression, and stress), and perception of anxiety control.

A DFT/ab initio study of hydrogen bonding and conformational preference in model cellobiose analogs using B3LYP/6-311++G**.

A series of beta-cellobiose analogs were studied at the B3LYP/6-311++G** level of theory to isolate and understand how the various electronic components of the beta-(1-->4)-linked disaccharide, cellobiose, contribute to the energetic stability of the molecule in vacuo. Previous studies on beta-cellobiose (see accompanying paper) showed that the most energetically stable conformation was that in which the dihedral angle phi (phi(H)) was 'flipped' by approximately 180 degrees relative to the 'normal' form. From our examination of eight sets of structures in which different combinations of functional hydroxyl and hydroxymethyl groups were removed, it was determined that only beta-cellobiose and one other analog (analog 7, beta-xylobioside), an analog in which both hydroxymethyl groups were removed but the exocyclic hydroxyl groups retained, can form a 'cooperative' hydrogen-bonding network.

Ab initio computational study of beta-cellobiose conformers using B3LYP/6-311++G**.

The molecular structure of 27 conformers of beta-cellobiose were studied in vacuo through gradient geometry optimization using B3LYP density functionals and the 6-311++G** basis set. The conformationally dependent geometry changes and energies were explored as well as the hydrogen-bonding network. The lowest electronic energy structures found were not those suggested from available crystallographic and NMR solution data, where the glycosidic dihedral angles fall in the region (phi, psi) approximately (40 degrees, -20 degrees ).

Inactivation of a cytochrome P-450 is a determinant of trichothecene diversity in Fusarium species.

Species of the genus Fusarium produce a great diversity of agriculturally important trichothecene toxins that differ from each other in their pattern of oxygenation and esterification. T-2 toxin, produced by Fusarium sporotrichioides, and nivalenol (NIV), produced by some strains of F. graminearum, contain an oxygen at the C-4 position.

Synthesis and characterization of long-chain 1,2-dioxo compounds.

A series of long-chain methyl esters with vicinal oxo groups (1,2-diones; 1,2-diketones) were synthesized by potassium permanganate-based oxidation of methyl esters of mono-unsaturated fatty acids. The presence of two additional carbonyl groups may facilitate the synthesis of other derivatives. The starting materials were selected in such a fashion to give the 1,2-dioxo moiety in consecutive positions from the methyl ester group.

Molecular dynamics calculations on amylose fragments. I. Glass transition temperatures of maltodecaose at 1, 5, 10, and 15.8% hydration.

Molecular dynamics simulations (NPT ensembles, 1 atm) using the all atom force field AMB99C (F. A. Momany and J.

Alpha-chymotrypsin catalysis in imidazolium-based ionic liquids.

The transesterification reaction of N-acetyl-L-phenylalanine ethyl ester with 1-propanol catalyzed by alpha-chymotrypsin was examined in the ionic liquids 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF(6)]) and 1-octyl-3-methylimidazolium hexafluorophosphate ([omim][PF(6)]), and in combination with supercritical carbon dioxide (SC-CO(2)). The activity of alpha-chymotrypsin was studied to determine whether trends in solvent polarity, water activity, and enzyme support properties, observed with this enzyme in conventional organic solvents, hold for the novel environment provided by ionic liquids. alpha-Chymotrypsin freeze-dried with K(2)HPO(4), KCl, or poly(ethylene glycol) demonstrated no activity in [bmim][PF(6)] or [omim][PF(6)] at very low water concentrations, but moderate transesterification rates were observed with the ionic liquids containing 0.

Interactions of culture vessels, media volume, culture density, and carbon dioxide levels on lettuce and spearmint shoot growth in vitro.

 The influence of culture chamber capacity, medium volume and culture density on the growth yields of lettuce (Lactuca sativa L.) and spearmint (Mentha spicata L.) shoots were determined in an environment containing either 350 or 10,000 μmol mol CO after 8 weeks of incubation.

Relative resistance of transgenic tomato tissues expressing high levels of tobacco anionic peroxidase to different insect species.

Different parts of genetically transformed tomato (Lycopersicon esculentum L.) plants that express the tobacco anionic peroxidase were compared for insect resistance with corresponding wild type plants. Leaf feeding by first instar Helicoverpa zea and Manduca sexta was often significantly reduced on intact transgenic plants and/or leaf disks compared to wild type plants, but the effect could depend on leaf age.

Conversion of cyclodextrin into high-amylose starch of low molecular mass by means of cyclodextrin glucanotransferase.

alpha-Cyclodextrin (CD) was converted by Bacillus macerans cyclodextrin glucanotransferase into highly insoluble high-amylose starch with a low average degree of polymerization (56-73), in yields as high as 78% over a wide range of temperatures (25-70 degreesC). Ability to undergo this conversion was highly concentration-dependent. gamma-CD was also convertible in good yield; however, beta-CD was relatively resistant to conversion.

Regulation of the maize ubiquitin (Ubi-1) promoter in developing maize (Zea mays L.) seeds examined using transient gene expression in kernels grown in vitro.

Kernel culture was assessed for evaluating novel gene expression in developing maize (Zea mays L.) seeds by comparing the transient expression of maize ubiquitin (Ubi-1) promoter-driven β-glucuronidase (GUS) delivered by particle bombardment in kernels grown in culture with those grown in planta. With kernels from either source, GUS expression, as determined by histochemical staining, was widespread in young, actively growing kernels, but it diminished with kernel age and by 25 days after pollination was found only in the embryo.

Expression and secretion of the Candida wickerhamii extracellular beta-glucosidase gene, bglB, in Saccharomyces cerevisiae.

The yeast Candida wickerhamii exports a cell-associated beta-glucosidase that is active against cellobiose and all soluble cellodextrins. Because of its unique ability to tolerate end-product inhibition by glucose, the bglB gene that encodes this enzyme was previously cloned and sequenced in this laboratory. Using several different promoters and constructs, bglB was expressed in the hosts Escherichia coli, Pichia pastoris, and Saccharomyces cerevisiae.

Isolation and identification of (3-methoxyphenyl)acetonitrile as a phytotoxin from meadowfoam (Limnanthes alba) seedmeal.

Ethyl ether, ethanol, and water extracts of meadowfoam (Limnanthes alba Hartweg ex. Benth.) seedmeal were prepared and bioassayed against velvetleaf (Abutilon theophrasti Medicus) and wheat (Triticum aestivum L.

The ribosome-inactivating protein restrictocin deters insect feeding on Aspergillus restrictus.

The fungus-feeding beetle, Carpophilus freemani, consumed equal quantities of young mycelia, fewer phialides bearing mature spores and much fewer phialides bearing developing spores of Aspergillus restrictus compared to those of Aspergillus nidulans when tested in diet choice assays. The degree to which specific fungal structures were consumed was inversely related to the localization of high levels of restrictocin, a ribosome-inactivating protein, to those structures. Pure restrictocin added to the insect diet at 1000 p.

Browning-associated mechanisms of resistance to insects in corn callus tissue.

Callus of the fungus- and insect-resistant corn inbred, Mp313E, of differing ages and degrees of brownness was tested for effects on neonate larvae of the corn earworm,Helicoverpa zea. Older, browner, 8-week-old callus caused significantly higher mortality ofH. zea after two days compared to larvae fed 5-week-old callus (brown or not) or pinto bean diet.

Phytotoxic and antimicrobial activity of 5,7-dihydroxychromone from peanut shells.

A flavonoid decomposition product that is present in peanut (Arachis hypogaea) shells, 5,7-dihydroxychromone (DHC), was found to inhibit the radial growth of cultures of the soil pathogenic fungiRhizoctonia solani andSclerotium rolfsii with I50 (the concentrations of DHC required to inhibit growth 50%) values of 18 and 26µM, respectively. Radicle elongation of velvetleaf, corn, peanut, and wheat was inhibited by DHC with I50 values of 30, 50, 65 and 200µM, respectively. DHC had no effect on the growth ofBradyrhizobium sp.

Aggregation pheromone of Australian SAP beetle,Carpophilus davidsoni (Coleoptera: Nitidulidae).

A male-produced aggregation pheromone was identified for the Australian sap beetle,Carpophilus davidsoni Dobson (Coleoptera: Nitidulidae), by bioassay-guided fractionation of volatiles collected from feeding beetles. The most abundant components were: (2E,4E,6E)-5-ethyl-3-methyl-2,4,6-nonatriene, (3E,5E,7E)-6-ethyl-4-methyl-3,5,7-decatriene, (2E,4E,6E,8E)-3,5,7-trimethyl-2,4,6,8-undecatetraene, and (2E,4E,6E,8E)-7-ethyl-3,5-dimethyl-2,4,6,8-undecatetraene. The relative abundance of these components in collections from individual males feeding on artificial diet was 100:7:9:31, respectively.

Enhanced maize (Zea mays L.) pericarp browning: Associations with insect resistance and involvement of oxidizing enzymes.

The kernel pericarp of a maize (Zea mays L.) inbred, Mp313E, that browns rapidly at milk stage when damaged and that is resistant toAspergillus flavus Link and the dusky sap beetleCarpophilus lugubris Murray compared to a susceptible inbred, SC212M, was examined for differing oxidizing enzymes (peroxidases) and their substrate specificity. Additional pericarp enzymes were constitutively produced by the Mp313E inbred compared to the SC212M inbred, as indicated by gel electrophoresis and isoelectric focusing.

Lipoxygenase-derived aldehydes inhibit fungi pathogenic on soybean.

Several unsaturated aldehydes are produced from polyunsaturated fatty acids via the lipoxygenase pathway when soybean (Glycine max) plants are wounded mechanically or by pathogens. The effects of four of these aldehydes were examined on the growth of isolated fungal cultures ofColletotrichum truncatum, Rhizoctonia solani, andSclerotium rolfsii. (E)-2-Hexenal, (E)-2-nonenal, and (Z)-3-nonenal inhibited the growth ofR.