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D F Cox

Publications and source records attributed to D F Cox.

At least 19 recordsLinked to original sources
PubMed2006

Si-O bonded interactions in silicate crystals and molecules: a comparison.

Bond critical point, local kinetic energy density, G(rc), and local potential energy density, V(rc), properties of the electron density distributions, rho(r), calculated for silicates such as quartz and gas-phase molecules such as disiloxane are similar, indicating that the forces that govern the Si-O bonded interactions in silica are short-ranged and molecular-like. Using the G(rc)/rho(rc) ratio as a measure of bond character, the ratio increases as the Si-O bond length, the local electronic energy density, H(rc)= G(rc) + V(rc), and the coordination number of the Si atom decrease and as the accumulation of the electron density at the bond critical point, rho(rc), and the Laplacian, inverted Delta2 rho(rc), increase. The G(rc)/rho(rc) and H(rc)/rho(rc) ratios categorize the bonded interaction as observed for other second row atom M-O bonds into discrete categories with the covalent character of each of the M-O bonds increasing with the H(rc)/rho(rc) ratio. The character of the bond is examined in terms of the large net atomic charges conferred on the Si atoms comprising disiloxane, stishovite, quartz, and forsterite and the domains of localized electron density along the Si-O bond vectors and on the reflex side of the Si-O-Si angle together with the close similarity of the Si-O bonded interactions observed for a variety of hydroxyacid silicate molecules and a large number of silicate crystals. The bond critical point and local energy density properties of the electron density distribution indicate that the bond is an intermediate interaction between Al-O and P-O bonded interactions rather than being a closed-shell or a shared interaction.

Journal Article↗
PubMed2006

Bond length and local energy density property connections for non-transition-metal oxide-bonded interactions.

For a variety of molecules and earth materials, the theoretical local kinetic energy density, G(r(c)), increases and the local potential energy density, V(r(c)), decreases as the M-O bond lengths (M = first- and second-row metal atoms bonded to O) decrease and the electron density, rho(r(c)), accumulates at the bond critical points, r(c). Despite the claim that the local kinetic energy density per electronic charge, G(r(c))/rho(r(c)), classifies bonded interactions as shared interactions when less than unity and closed-shell when greater, the ratio was found to increase from 0.5 to 2.5 au as the local electronic energy density, H(r(c)) = G(r(c)) + V(r(c)), decreases and becomes progressively more negative. The ratio appears to be a measure of the character of a given M-O bonded interaction, the greater the ratio, the larger the value of rho(r(c)), the smaller the coordination number of the M atom and the more shared the bonded interaction. H(r(c))/rho(r(c)) versus G(r(c))/rho(r(c)) scatter diagrams categorize the M-O bonded interactions into domains with the local electronic energy density per electron charge, H(r(c))/rho(r(c)), tending to decrease as the electronegativity differences for the bonded pairs of atoms decrease. The values of G(r(c)) and V(r(c)), estimated with a gradient-corrected electron gas theory expression and the local virial theorem, are in good agreement with theoretical values, particularly for the bonded interactions involving second-row M atoms. The agreement is poorer for shared C-O and N-O bonded interactions.

Kinetics↗
PubMed2006

Classification of metal-oxide bonded interactions based on local potential- and kinetic-energy densities.

A classification of the hydrogen fluoride H-F-bonded interactions comprising a large number of molecules has been proposed by Espinosa et al. [J. Chem. Phys. 117, 5529 (2002)] based on the ratio /Vr(c)/ / Gr(c) where /Vr(c)/ is the magnitude of the local potential-energy density and Gr(c) is the local kinetic-energy density, each evaluated at a bond critical point r(c). A calculation of the ratio for the M-O bonded interactions comprising a relatively large number of oxide molecules and earth materials, together with the constraints imposed by the values of inverted Delta2rho r(c) and the local electronic energy density, Hr(c) = Gr(c) + Vr(c), in the H-F study, yielded practically the same classification for the oxides. This is true despite the different trends that hold between the bond critical point and local energy density properties with the bond lengths displayed by the H-F and M-O bonded interactions. On the basis of the ratio, Li-O, Na-O, and Mg-O bonded interactions classify as closed-shell ionic bonds, Be-O, Al-O, Si-O, B-O, and P-O interactions classify as bonds of intermediate character with the covalent character increasing from Be-O to P-O. N-O interactions classify as shared covalent bonds. C-O and S-O bonded interactions classify as both intermediate and covalent bonded interactions. The C-O double- and triple-bonded interactions classify as intermediate-bonded interactions, each with a substantial component of covalent character and the C-O single-bonded interaction classifies as a covalent bond whereas their local electronic energy density values indicate that they are each covalent bonded interactions. The ratios for the Be-O, Al-O, and Si-O bonded interactions indicate that they have a substantial component of ionic character despite their classification as bonds of intermediate character. The trend between the ratio and the character of the bonded interactions is consistent with trends expected from electronegativity considerations. The ratio increases as the net charges and the coordination numbers for the atoms for several Ni-sulfides decrease. On the contrary, the ratio for the Si-O bonded interactions for the orthosilicate, forsterite, Mg2SiO4, and the high-pressure silica polymorph, stishovite, decreases as the observed net atomic charges and the coordination numbers of Si and O increase in value. The ratio for the Ni-Ni bonded interactions for the Ni-sulfides and bulk Ni metal indicate that the interactions are intermediate in character with a substantial component of ionic character.

Journal Article↗
PubMed2005

Electron density distributions calculated for the nickel sulfides millerite, vaesite, and heazlewoodite and nickel metal: a case for the importance of ni-ni bond paths for electron transport.

Bond paths and the bond critical point properties (the electron density (rho) and the Hessian of rho at the bond critical points (bcp's)) have been calculated for the bonded interactions comprising the nickel sulfide minerals millerite, NiS, vaesite, NiS(2), and heazlewoodite, Ni(3)S(2), and Ni metal. The experimental Ni-S bond lengths decrease linearly as the magnitudes of the properties each increases in value. Bond paths exist between the Ni atoms in heazlewoodite and millerite for the Ni-Ni separations that match the shortest separation in Ni metal, an indicator that the Ni atoms are bonded. The bcp properties of the bonded interactions in Ni metal are virtually the same as those in heazlewoodite and millerite. Ni-Ni bond paths are absent in vaesite where the Ni-Ni separations are 60% greater than those in Ni metal. The bcp properties for the Ni-Ni bonded interactions scatter along protractions of the Ni-S bond length-bcp property trends, suggesting that the two bonded interactions have similar characteristics. Ni-Ni bond paths radiate throughout Ni metal and the metallic heazlewoodite structures as continuous networks whereas the Ni-Ni paths in millerite, a p,d-metal displaying ionic and covalent features, are restricted to isolated Ni(3) rings. Electron transport in Ni metal and heazlewoodite is pictured as occurring along the bond paths, which behave as networks of atomic size wires that radiate in a contiguous circuit throughout the two structures. Unlike heazlewoodite, the electron transport in millerite is pictured as involving a cooperative hopping of the d-orbital electrons from the Ni(3) rings comprising Ni(3)S(9) clusters to Ni(3) rings in adjacent clusters via the p-orbitals on the interconnecting S atoms. Vaesite, an insulator at low temperatures and a doped semiconductor at higher temperatures, lacks Ni-Ni bond paths. The net charges conferred on the Ni and S atoms are about a quarter of their nominal charges for the atoms in millerite and vaesite with the net charge on Ni increasing with increasing Ni-S bond length. Reduced net charges are observed on the Ni atoms in heazlewoodite and are related to its Ni-Ni metal bonded interactions and to the greater covalent character of its bonds. Local energy density and bond critical point properties of the electron density distributions indicate that the Ni-S and Ni-Ni bonded interactions are intermediate in character between ionic and covalent.

Journal Article↗
PubMed2005

Comparison of the electron localization function and deformation electron density maps for selected earth materials.

The electron localization function (ELF) and experimental and theoretical deformation electron density maps are compared for several earth materials and one representative molecule. The number and arrangement of the localized one-electron probability density domains generated in a mapping of the ELF correspond to the number and arrangement of the localized electron density domains generated in a mapping of the deformation electron density distribution, a correspondence that suggests that the two fields are homeomorphically related. As a homeomorphic relationship has been established previously between the Laplacian of the electron density distribution and the ELF, the relationship suggests that the deformation electron density distribution is also homeomorphically related to the Laplacian of the distribution.

Journal Article↗
PubMed1997

Coronary heart disease risk factors in employees of Iowa's Department of Public Safety compared to a cohort of the general population.

The prevalence of coronary heart disease (CHD) risk factors in law enforcement personnel compared to that in the general population was studied by determining the predicted 10-year risk for developing CHD (CHD10, expressed as %) in subjects from the Iowa Department of Public Safety and comparing it to the average CHD10 for similarly aged subjects in the Framingham Heart Study cohort. The Iowa data included measures on 388 men from 30 to 64 years old, 246 of whom were measured in 1980-1981 and again in 1992-1993. The CHD10 came from an algorithm developed using the Framingham data; it included measures of age, gender, cholesterol, HDL-C, systolic blood pressure, smoking habit, glucose level, and left ventricular hypertrophy (ECG criteria). For this group, average CHD10 was reported by age in five-year increments [Circulation 83:356, 1991]. The Iowa subjects (n = 388) did not show a statistically significant difference in CHD10 from the reference population (8.9% versus 7.9%). The change with age was very similar in the two groups: for Iowa (n = 388) the estimate was CHD10 = -16.5 + .59 (age); for Framingham it was CHD10 = -17.5 + .60 (age). The change in individual risk factors with time was also similar in both groups; the per year change in CHD10 in the Iowa subjects, which was measured twice (n = 246, 0.63%), did not differ statistically from the 0.60% change predicted by the Framingham model. These results suggest that, for the risk factors considered here, the 10-year probability of developing CHD among Iowa law enforcement personnel is similar to that found in the Framingham population.

Adult↗
PubMed1995

Effect of environmental variables in turkey confinement houses on airborne Aspergillus and mycoflora composition.

Environmental conditions and airborne mycoflora were measured concurrently in 10 turkey confinement houses during warm and cold weather. The following variables in the environment were measured: numbers of feed- and litter-associated yeast and mold fungi, temperature, relative humidity, airspeed, carbon dioxide and ammonia concentration, airborne bacteria, and airborne particulate mass, particle number, and particle size distribution. Winter air in turkey confinement houses contained significantly higher concentrations of Aspergillus, Scopulariopsis, and Mucor sp. and significantly lower concentrations of Cladosporium, Fusarium, and Alternaria sp. when compared with summer air. Significantly greater numbers of Mucor sp. were recovered per cubic meter of air where the current turkey flock was present less than 100 d when compared to houses where the current flock resided 100 d or more. Management decisions regarding control of the internal environment of turkey confinement houses apparently influence airborne mycoflora composition.

Air Microbiology↗
PubMed1994

Effect of building ventilation design on environment and performance of turkeys.

Environmental variables in 10 commercial turkey confinement buildings, representing 2 natural ventilation designs, were measured during summer and the following winter. Sliding doors spaced at intervals along the walls of 5 of the buildings provided about 35% opening, and continuous wall curtains provided 60 to 80% opening in the other 5 buildings. Environmental variables assessed included airspeed; temperature; relative humidity; gases; particle number, size, and mass per cubic meter of air; and colonies of bacteria, yeasts, and other fungi per cubic meter of air. Colonies of yeasts and other fungi were quantitated in feed and litter. For most of the variables evaluated, significant differences were not attributable to building ventilation design; however, in winter, the total mass of particulate matter per cubic meter of air was higher in the curtain-type houses, compared with sliding door-type houses. Ammonia concentration in the air of sliding door-type houses progressively increased during summer and winter sampling periods. A significant effect of building ventilation design on turkey performance was not detected when using mortality, average daily gain, feed conversion, condemnations at slaughter, or average individual bird weight as measures of production.

Air↗
PubMed1991

Incidence of molds and mycotoxins in commercial animal feed mills in seven midwestern states, 1988-1989.

A total of 82 feed manufacturers located within seven midwestern states (Iowa, Nebraska, Minnesota, Illinois, Indiana, Ohio, Michigan) participated in a survey of mold and mycotoxin contamination of corn. Samples were submitted from a composite of the grading samples taken from each incoming load of corn. The survey was initiated in July 1988. During the 12-mo period, moisture content of the corn samples upon receipt at the laboratory ranged from 10.5 to 13.3%. The greatest variation occurred in the springtime. Iowa's corn samples were driest (11.2%), and samples submitted from Ohio were wettest (12.8%). Mold counts averaged 2.63 x 10(4) per gram during the year. The predominant mold found was Fusarium sp. Samples were checked by black light and averaged 25.4% positive during the period. When assayed for mycotoxins, 19.5% of the samples were positive for at least one of the following: aflatoxin, zearalenone, T2 toxin and deoxynivalenol (vomitoxin). Aflatoxin and T2 toxin made up the majority of these samples containing toxin. The highest incidence of mycotoxin-contaminated corn (48%) occurred in samples submitted in July of 1988. Over the 12-mo period, the highest mycotoxin contamination occurred in Iowa, Illinois and Michigan. When samples were subjected to 90% relative humidity and 32 degrees C, an average of 3.9 d was required for mold growth to appear. After incubation, 24.7% of the samples contained one of the four toxins. The data indicate that mold and mycotoxin contamination of mixed samples of corn is widespread, even in the midwestern corn belt of the U.S.

Aflatoxins↗
PubMed1990

In vitro effects of cyclopiazonic acid mycotoxin on turkey papillary muscles.

An in vitro bioassay system was used to study the effects of cyclopiazonic acid (CPA) mycotoxin on cardiac muscle. Acute exposure to 6 micrograms of CPA/ml of modified Krebs-Henseleit solution significantly (P less than 0.05) decreased 5 in vitro turkey cardiac muscle performance criteria: maximal weight a muscle could lift; maximal contraction velocity; relaxation velocity; time to peak contraction; and total time for muscle contraction and relaxation. The effect on these 5 criteria appeared to result from intracellular changes partially associated with calcium availability and were irreversible, suggesting that physiologic changes had developed after acute exposure to CPA.

Animals↗
PubMed1988

Evaluation of tiamulin for treatment of mycoplasmal pneumonia in swine.

During 3 trials, using affected pigs of various ages, tiamulin was evaluated for treatment of experimentally induced mycoplasmal pneumonia. Pneumonia was induced in respiratory tract disease-free swine by intratracheal inoculation of a lung homogenate containing Mycoplasma hyopneumoniae. Eleven days after inoculation, when more than 20% of pigs were coughing, pigs were allotted to 3 or 4 groups (n = 8 pigs each) and were given regimens of no medication or 60 mg, 120 mg, or 180 mg of tiamulin/L of drinking water for 10 days. Twenty-one days after cessation of medication, pigs were euthanatized and then were necropsied. Results obtained from the 3 trials did not indicate significant difference among treatment groups in severity of macroscopic or microscopic lesions induced by M hyopneumoniae or in detection of M hyopneumoniae by use of immunofluorescent technique. Clinical evaluations, daily gain, and feed efficiency did not differ significantly among treatment groups. In this study, tiamulin administration did not have beneficial effects in swine with mycoplasmal pneumonia.

Animals↗
PubMed1984

Estimating milk yield of sows.

Hourly milk yields were obtained for nine consecutive hours at d 14 of lactation from 92 crossbred (four breed) sows during their first and second lactations. Additionally, milk yields were obtained at d 14 and 20 of lactation from 175 mature Yorkshire X Landrace sows for nine consecutive hours. Each measurement (4,806 observations) was obtained by weighing the pigs before and after each hourly nursing. These data were examined with the objective of understanding the consequences of reducing the number of measurements obtained from each sow. Four data sets were formed from the measurements, namely, first parity crossbred sows, second parity crossbred sows, d 14 and d 20 milk yields from the Yorkshire X Landrace sows. Differences (P less than .01) among the hourly milk yield estimates found in all four data sets were largely accounted for by the low yield for h 1 and moderate reduction for h 2 compared with the means of nine measurements. There were no significant differences among the hourly yields for h 3 through 5 compared with h 3 through 9 in three of the four data sets. Mean hourly milk yield for first parity crossbred sows, however, increased as additional hourly measurements were taken. Using the mean hourly milk yield estimate of h 3 through 5 would give an unbiased estimate of h 3 through 9, except for first parity sows, and a standard error only 13% greater than the standard error for nine hourly measurements. The shorter procedure would save considerable time and labor.

Analysis of Variance↗
PubMed1982

Evidence for the functional association of enzyme I and HPr of the phosphoenolpyruvate-sugar phosphotransferase system with the membrane in sealed vesicles of Escherichia coli.

Several independent assay procedures were used to estimate the activities of the enzyme constituents of the phosphoenolpyruvate-sugar phosphotransferase system (PTS) in osmotically shocked bacterial membrane vesicles. The soluble enzymes of the system were found to be in association with the membrane by several criteria. Phosphoenolpyruvate-dependent sugar phosphorylation was catalyzed by this membrane-bound enzyme system far more efficiently than by a mixture of the individual enzymes at corresponding concentrations. By contrast, the rates of the phosphoryl exchange reactions catalyzed by enzyme I and the enzyme II complexes were essentially the same for the associated and dissociated forms of the system. Functional association of the PTS-enzyme complex was stabilized by Mg++ and phosphoenolypyruvate and could be destroyed by detergent treatment, sonication, or by passage of the vesicle preparation through a French pressure cell. These results lead to the possibility that in the intact bacterial cell the soluble enzymes of the phosphotransferase system exist, in part, as peripheral membrane constituents associated with the integral membrane enzyme II complexes.

Bacterial Proteins↗
PubMed1981

Bacteriologic study of sow agalactia.

Necropsy of 13 agalactic and 11 normally lactating sows at 1 to 2 days after parturition revealed that 7 of the agalactic and 4 of the clinically normal sows had lesions of mastitis. Escherichia coli, Streptococcus equisimilis, and Staphylococcus epidermidis were the predominant organisms isolated. The organisms were isolated as pure and as mixed cultures and all 3 were isolated from normal appearing, as well as mastitic, glands. Pure culture isolation of E. coli (44 gland segments) was significantly associated with microscopic lesions of mastitis, regardless of the number of colonies isolated, whereas pure culture isolation of Streptococcus equisimilis or S epidermidis in low to moderate numbers was not. Isolation of large numbers of beta-hemolytic streptococci (2 gland segments) or of S epidermidis (6 gland segments) was associated with microscopic evidence of mastitis. Cultural examination of uterus and cervix revealed 5 isolates of strict anaerobic bacteria, all different species, from 4 of the 24 sows. Culture of 2 mammary glands from each sow revealed no strict anaerobes. Phase-contrast microscopic examination of specimens from mammary glands, uterus, and cervix of each sow revealed no spirochetes. Attempts to isolate mycoplasmas and chlamydiae from mammary gland, uterine tube (fallopian tube), uterus, cervix, and urethra of the 24 sows were negative. The evidence confirms previous reports that coliforms are the most significant bacteria in mastitis of the sow.

Animals↗