Properties of atoms under pressure: bonded interactions of the atoms in three perovskites.

The crystal structures for the three perovskites, CaSnO(3), YAlO(3), and LaAlO(3), were geometry optimized at the density functional theory level for a wide range of simulated isotropic pressures up to 80 GPa. The connections between the geometry optimized bond lengths, R(M-O), the values of the electron density, ρ(r(c)), the local kinetic, G(r(c)), potential, V(r(c)), energy densities, H(r(c)), and the Laplacian, ∇(2)(r(c)), at the bond critical points, r(c), for the M-O nonequivalent bonded interactions were examined. With increasing pressure, ρ(r(c)) increases along four distinct trends when plotted in terms of the Al-O, Ca-O, Sn-O, Y-O, and La-O bond lengths, but when the bond lengths were plotted in terms of ρ(r(c))/r where r is the periodic table row number of the M atoms, the data scatter along a single trend modeled by the power law regression expression R(M-O) = 1.41(ρ(r(c))/r)(-0.21), an expression that is comparable with that obtained for the bonded interactions for a large number of silicate and oxides crystals, R(M-O) = 1.46(ρ(r(c))/r)(-0.19) and that obtained for a relatively large number of hydroxyacid molecules R(M-O) = 1.39(s/r)(-0.22) where s is the Pauling bond strength of a bonded interaction. The similarity of the expressions determined for the perovskites, silicate and oxides crystals, and hydroxyacid molecules suggest that the bonded interactions in molecules and crystal are not only similar and comparable. The close correspondence of the expressions for the perovskites, the silicate and oxide crystals, and the molecules indicates that Pauling bond strength and ρ(r(c)) are comparable measures of the bonded interactions, the larger the accumulation of the electron density between the bonded atoms the larger the value of s, the shorter the bond lengths. It also indicates that the bonded interactions that govern the bond length variations behave as if largely short ranged. Like ρ(r(c))/r, the values of G(r(c))/r, V(r(c))/r, ∇(2)(r(c))/r likewise correlate in terms of R(M-O) in a single trend. With increasing pressure, the value of V(r(c)) decreases at a faster rate than G(r(c)) increases consistent with the observation that ρ(r(c)) increases with increasing pressure thereby stabilizing the structures at high pressures. As evinced by the well-developed power law trends between R(M-O) and the bond critical point properties, the bulk of the bonded interactions for the perovskites are concluded to change progressively from closed-shell to intermediate polar covalent interactions with increasing pressure. A well-developed trend between the ratios ∣V(r(c))∣ /G(r(c)) and H(r(c))/ρ(r(c)) is consistent with this conclusion. The employment of a positive value for the Laplacian alone in distinguishing between closed shell and polar covalent bonded interactions is unsatisfactory when 2G(r(c)) > ∣V(r(c))∣ > G(r(c)).

Role of long-range intermolecular forces in the formation of inorganic nanoparticle clusters.

An understanding of the role played by intermolecular forces in terms of the electron density distribution is fundamental to the understanding of the self-assembly of molecules in the formation of a molecular crystal. Using ab initio methods capable of describing both short-range intramolecular interactions and long-range London dispersion interactions arising from electron correlation, analyses of inorganic dimers of As(4)S(4) and As(4)O(6) molecules cut from the structures of realgar and arsenolite, respectively, reveal that the molecules adopt a configuration that closely matches that observed for the crystal. Decomposition of the interaction energies using symmetry-adapted perturbation theory reveals that both model dimers feature significant stabilization from electrostatic forces as anticipated by a Lewis acid/Lewis base picture of the interaction. London dispersion forces also contribute significantly to the interaction, although they play a greater role in the realgar structure near equilibrium than in arsenolite.

Bond paths and van der Waals interactions in orpiment, As2S3.

The calculated electron density distribution for orpiment, As(2)S(3), reveals that As-S, S-S, and As-As bond paths are associated with the experimental interlayer directed bonded interactions detected in a combined infrared and Raman study. The successful modeling of the infrared- and Raman-determined interlayer bonded interactions together with bond paths and the structuralization of a variety of inorganic molecules in terms of "key-lock" bond path mainstays support the argument that van der Waals forces in inorganic molecular crystals are directional.

Role of directed van der Waals bonded interactions in the determination of the structures of molecular arsenate solids.

Bond paths, local energy density properties, and Laplacian, L(r) = -wedge(2)rho(r), composite isosurfaces of the electron density distributions were calculated for the intramolecular and intermolecular bonded interactions for molecular solids of As(2)O(3) and AsO(2) composition, an As(2)O(5) crystal, a number of arsenate molecules, and the arsenic metalloid, arsenolamprite. The directed intermolecular van der Waals As-O, O-O, and As-As bonded interactions are believed to serve as mainstays between the individual molecules in each of the molecular solids. As-O bond paths between the bonded atoms connect Lewis base charge concentrations and Lewis acid charge depletion domains, whereas the O-O and As-As paths connect Lewis base pair and Lewis acid pair domains, respectively, giving rise to sets of intermolecular directed bond paths. The alignment of the directed bond paths results in the periodic structures adopted by the arsenates. The arrangements of the As atoms in the claudetite polymorphs of As(2)O(3) and the As atoms in arsenolamprite are similar. Like the As(2)O(3) polymorphs, arsenolamprite is a molecular solid connected by relatively weak As-As intermolecular directed van der Waals bond paths between the layers of stronger As-As intramolecular bonded interactions. The bond critical point and local energy density properties of the intermolecular As-As bonded interactions in arsenolamprite are comparable with the As-As interactions in claudetite I. As such, the structure of claudetite I can be viewed as a stuffed derivative of the arsenolamprite structure with O atoms between pairs of As atoms comprising the layers of the structure. The cubic structure adopted by the arsenolite polymorph can be understood in terms of sets of directed acid-base As-O and base-base O-O pair domains and bond paths that radiate from the tetrahedral faces of its constituent molecules, serving as face-to-face key-lock mainstays in forming a periodic tetrahedral array of molecules rather than one based on some variant of close packing. The relatively dense structure and the corrugation of the layers in claudetite I can also be understood in terms of directed van der Waals As-O bonded interactions. Our study not only provides a new basis for understanding the crystal chemistry and the structures of the arsenates, but it also calls for a reappraisal of the concept of van der Waals bonded interactions, how the structures of molecular solids are viewed, and how the molecules in these solids are bonded in a periodic structure.

Experimental bond critical point and local energy density properties determined for Mn-O, Fe-O, and Co-O bonded interactions for tephroite, Mn2SiO4, fayalite, Fe2SiO4, and Co2SiO4 olivine and selected organic metal complexes: comparison with properties calculated for non-transition and transition metal M-O bonded interactions for silicates and oxides.

Bond critical point (bcp) and local energy density properties for the electron density (ED) distributions, calculated with first-principle quantum mechanical methods for divalent transition metal Mn-, Co-, and Fe-containing silicates and oxides are compared with experimental model ED properties for tephroite, Mn 2SiO 4, fayalite, Fe 2SiO 4, and Co 2SiO 4 olivine, each determined with high-energy synchrotron single-crystal X-ray diffraction data. Trends between the experimental bond lengths, R(M-O), (M = Mn, Fe, Co), and the calculated bcp properties are comparable with those observed for non-transition M-O bonded interactions. The bcp properties, local total energy density, H( r c), and bond length trends determined for the Mn-O, Co-O, and Fe-O interactions are also comparable. A comparison is also made with model experimental bcp properties determined for several Mn-O, Fe-O, and Co-O bonded interactions for selected organometallic complexes and several oxides. Despite the complexities of the structures of the organometallic complexes, the agreement between the calculated and model experimental bcp properties is fair to good in several cases. The G( r c)/rho( r c) versus R(M-O) trends established for non-transition metal M-O bonded interactions hold for the transition metal M-O bonded interactions with G( r c)/rho( r c) increasing in value as H( r c) becomes progressively more negative in value, indicating an increasing shared character of the interaction as G( r c)/rho( r c) increases in value. As observed for the non-transition metal M-O bonded interactions, the Laplacian, nabla (2)rho( r c), increases in value as rho( r c) increases and as H( r c) decreases and becomes progressive more negative in value. The Mn-O, Fe-O, and Co-O bonded interactions are indicated to be of intermediate character with a substantial component of closed-shell character compared with Fe-S and Ni-S bonded interactions, which show greater shared character based on the | V( r c)|/ G( r c) bond character indicator. The atomic charges conferred on the transition metal atoms for the three olivines decrease with increasing atomic number from Mn to Fe to Co as the average M-O bond lengths decrease from 2.219 to 2.168 to 2.128 A, respectively.

Shared and closed-shell O-O interactions in silicates.

Bond paths of maximum electron density spanning O-O edges shared between equivalent or quasiequivalent MOn (n > 4) coordination polyhedra are not uncommon electron density features displayed by silicates. On the basis of the positive values for the local electronic energy density, H(rc), at the bond critical points, rc, they qualify as weak "closed-shell" interactions. As observed for M-O bonded interactions (M = first and second row metal atoms), the electron density, rho(rc), and the Laplacian of the electron density increase in a regular way as the separation between the O atoms, R(O-O), decreases. A simple model, based on R(O-O) and the distances of the Si atoms from the midpoint between adjacent pairs of O atoms, partitions the O-O bond paths in the high-pressure silica polymorph coesite into two largely disjoint domains, one with and one without bond paths. The occurrence of O-O bond paths shared in common between equivalent coordination polyhedra suggests that they may be grounded in some cases on factors other than bonded interactions, particularly since they are often displayed by inert procrystal representations of the electron density. In these cases, it can be argued that the accumulation of the electron density along the paths has its origin, at least in part, in the superposition of the peripheral electron density distributions of the metal M atoms occupying the edge-sharing polyhedra. On the other hand, the accumulation of electron density along the paths may stabilize a structure by shielding the adjacent M atoms in the edge-sharing polyhedra. For closed-shell Li-O, Na-O, and Mg-O interactions, H(rc) is positive and increases as the value of rho(rc) increases, unlike the "shared" Be-O, B-O, C-O, Al-O, Si-O, P-O, and S-O interactions, where H(rc) is negative and decreases as rho(rc) increases. The H(rc) values for the weak closed-shell O-O interactions also increase as rho(rc) increases, as observed for the closed-shell M-O interactions. On the basis of the bond critical point properties and the negative H(rc) value, the O-O interaction comprising the O2 molecule in silica III qualifies as a shared interaction.

Physiological effects of nonthyroidal illness syndrome in patients after cardiac surgery.

In a prospective randomized placebo-controlled study, we assessed potential physiological effects of nonthyroidal illness syndrome (NTIS) in acute illness. Coronary artery bypass graft surgery was employed as a prospective model of acute illness and NTIS. Triiodothyronine (T(3)) or placebo was infused for 24 h after surgery, with a T(3) dose selected to maintain postoperative serum T(3) concentrations at preoperative levels. Patients were evaluated before coronary artery bypass graft and during the postoperative period. Cardiovascular function was monitored with Swan-Ganz catheter measurements and ECG. Urinary nitrogen excretion and L-[1-(13)C]leucine flux were used to evaluate protein metabolism. Serum measurements of relevant hormones, iron, and total iron-binding capacity were used to assess effects on sex steroid, growth hormone axis, and iron responses to illness. Cardiovascular function was not affected by T(3) infusion, except for a transient higher cardiac index in the T(3) group 6 h after surgery (3.04 +/- 0.12 for T(3) and 2.53 +/- 0.08 for placebo, P = 0.0016). Protein metabolism was not affected; changes in urinary nitrogen excretion and L-[1-(13)C]leucine flux were equivalent in the two groups (P = 0.35 and P = 0.95, respectively). No differences were observed in changes in testosterone, estrogens, growth hormone, insulin-like growth hormone I, iron, or total iron-binding capacity between T(3) and placebo groups. We conclude that, in the early stages of major illness, the decrease in circulating T(3) concentrations in NTIS has only a minimal transient physiological impact on cardiac function and plays no significant role in protecting against protein catabolism or modulating other endocrine responses or iron responses to illness.

Theoretical electron density distributions for Fe- and Cu-sulfide earth materials: a connection between bond length, bond critical point properties, local energy densities, and bonded interactions.

Bond critical point and local energy density properties together with net atomic charges were calculated for theoretical electron density distributions, rho(r), generated for a variety of Fe and Cu metal-sulfide materials with high- and low-spin Fe atoms in octahedral coordination and high-spin Fe atoms in tetrahedral coordination. The electron density, rho(rc), the Laplacian, triangle down2rho(rc), the local kinetic energy, G(rc), and the oxidation state of Fe increase as the local potential energy density, V(rc), the Fe-S bond lengths, and the coordination numbers of the Fe atoms decrease. The properties of the bonded interactions for the octahedrally coordinated low-spin Fe atoms for pyrite and marcasite are distinct from those for high-spin Fe atoms for troilite, smythite, and greigite. The Fe-S bond lengths are shorter and the values of rho(rc) and triangle down2rho(rc) are larger for pyrite and marcasite, indicating that the accumulation and local concentration of rho(r) in the internuclear region are greater than those involving the longer, high-spin Fe-S bonded interactions. The net atomic charges and the bonded radii calculated for the Fe and S atoms in pyrite and marcasite are also smaller than those for sulfides with high-spin octahedrally coordinated Fe atoms. Collectively, the Fe-S interactions are indicated to be intermediate in character with the low-spin Fe-S interactions having greater shared character than the high-spin interactions. The bond lengths observed for chalcopyrite together with the calculated bond critical point properties are consistent with the formula Cu+Fe3+S2. The bond length is shorter and the rho(rc) value is larger for the FeS4 tetrahedron displayed by metastable greigite than those displayed by chalcopyrite and cubanite, consistent with a proposal that the Fe atom in greigite is tetravalent. S-S bond paths exist between each of the surface S atoms of adjacent slabs of FeS6 octahedra comprising the layer sulfide smythite, suggesting that the neutral Fe3S4 slabs are linked together and stabilized by the pathways of electron density comprising S-S bonded interactions. Such interactions not only exist between the S atoms for adjacent S8 rings in native sulfur, but their bond critical point properties are similar to those displayed by the metal sulfides.

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.

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.

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.

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.

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.

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.

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.

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.

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.