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1.
J Chem Phys ; 137(16): 164313, 2012 Oct 28.
Artigo em Inglês | MEDLINE | ID: mdl-23126716

RESUMO

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)).

2.
J Phys Condens Matter ; 23(20): 205303, 2011 May 25.
Artigo em Inglês | MEDLINE | ID: mdl-21540512

RESUMO

We present low temperature (11 K) inelastic neutron scattering (INS) data on four hydrated nanoparticle systems: 10 nm CoO·0.10H(2)O (1), 16 nm Co(3)O(4)·0.40H(2)O (2), 25 nm Co(3)O(4)·0.30H(2)O (3) and 40 nm Co(3)O(4)·0.026H(2)O (4). The vibrational densities of states were obtained for all samples and from these the isochoric heat capacity and vibrational energy for the hydration layers confined to the surfaces of these nanoparticle systems have been elucidated. The results show that water on the surface of CoO nanoparticles is more tightly bound than water confined to the surface of Co(3)O(4), and this is reflected in the reduced heat capacity and vibrational entropy for water on CoO relative to water on Co(3)O(4) nanoparticles. This supports the trend, seen previously, for water to be more tightly bound in materials with higher surface energies. The INS spectra for the antiferromagnetic Co(3)O(4) particles (2-4) also show sharp and intense magnetic excitation peaks at 5 meV, and from this the magnetic contribution to the heat capacity of Co(3)O(4) nanoparticles has been calculated; this represents the first example of use of INS data for determining the magnetic contribution to the heat capacity of any magnetic nanoparticle system.


Assuntos
Cobalto/química , Magnetismo , Nanopartículas/química , Óxidos/química , Água/química , Difração de Nêutrons , Tamanho da Partícula , Espalhamento a Baixo Ângulo , Termodinâmica , Vibração
3.
J Phys Chem A ; 114(23): 6550-7, 2010 Jun 17.
Artigo em Inglês | MEDLINE | ID: mdl-20499911

RESUMO

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.

4.
J Phys Chem A ; 113(4): 736-49, 2009 Jan 29.
Artigo em Inglês | MEDLINE | ID: mdl-19123777

RESUMO

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.

5.
J Phys Chem A ; 112(37): 8811-23, 2008 Sep 18.
Artigo em Inglês | MEDLINE | ID: mdl-18714960

RESUMO

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.

6.
J Phys Chem A ; 112(16): 3693-9, 2008 Apr 24.
Artigo em Inglês | MEDLINE | ID: mdl-18324795

RESUMO

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.

7.
J Phys Chem B ; 111(8): 1923-31, 2007 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-17274642

RESUMO

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.

8.
Acta Crystallogr B ; 62(Pt 3): 431-9, 2006 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-16710062

RESUMO

A new approach based on the bond-valence matching relation is developed to predict the detailed structural evolution of GdFeO(3)-type perovskites at high pressure from knowledge of the room-pressure structure and the high-pressure unit-cell parameters alone. The evolution of perovskite structures estimated in this way is in good agreement with the structure refinements available from high-pressure single-crystal diffraction measurements of a number of perovskites. The method is then extended to predict the structure of MgSiO(3) perovskite at pressures for which no single-crystal structural data are available and the results are compared to ab initio quantum calculations of MgSiO(3) perovskite up to 120 GPa.

9.
J Chem Phys ; 124(8): 084704, 2006 Feb 28.
Artigo em Inglês | MEDLINE | ID: mdl-16512733

RESUMO

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.

10.
Phys Rev Lett ; 95(2): 025503, 2005 Jul 08.
Artigo em Inglês | MEDLINE | ID: mdl-16090697

RESUMO

Recent experiments on several oxide perovskites reveal that they undergo tilt phase transitions to higher-symmetry phases on increasing pressure and that dTc/dP<0, contrary to a general rule previously proposed for such zone-boundary transitions. We show that the negative slope of the phase boundary is a consequence of the octahedra in these perovskites being more compressible than the extra-framework cation sites. Conversely, when the octahedra are stiffer than the extra-framework cation sites, the phase transition temperatures increase with increasing pressure, dTc/dP>0.

11.
J Phys Chem B ; 109(46): 21788-95, 2005 Nov 24.
Artigo em Inglês | MEDLINE | ID: mdl-16853830

RESUMO

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.

12.
J Phys Chem A ; 109(44): 10022-7, 2005 Nov 10.
Artigo em Inglês | MEDLINE | ID: mdl-16838920

RESUMO

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.

13.
Acta Crystallogr B ; 60(Pt 3): 263-71, 2004 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-15148429

RESUMO

Recent determinations of the structures of several GdFeO(3)-type orthorhombic perovskites (ABO(3)) show that the octahedra in some become more tilted with increasing pressure. In others the octahedra become less tilted and the structure evolves towards a higher-symmetry configuration. This variety of behaviour can be explained in terms of the relative compressibilities of the octahedral and dodecahedral cation sites in the perovskite structure. If the BO(6) octahedra are less compressible than the AO(12) sites then the perovskite will become more distorted with pressure, but the perovskite will become less distorted if the BO(6) site is more compressible than the AO(12) site. In this contribution we use the bond-valence concept to develop a model that predicts the relative compressibilities of the cation sites in oxide perovskites. We introduce the site parameter M(i) defined in terms of the coordination number N(i), average bond length at room pressure R(i), and the bond-valence parameters R(0) and B,M(i) = ([R(i)N(i)/B)exp](R(0) - R(i))/B].M(i) represents the variation in the bond-valence sum at the central cation in a polyhedral site because of the change of the average bond distance. Experimental data suggest that the pressure-induced changes in the bond-valence sums at the two cation sites within any given perovskite are equal. With this condition we show that the ratio of cation-site compressibilities is given by betaB/beta(A) = M(A)/M(B). This model, based only upon room-pressure bond lengths and bond-valence parameters, correctly predicts the structural behaviour and some physical properties of the oxide perovskites that have been measured at high pressure.


Assuntos
Compostos de Cálcio/química , Gadolínio/química , Ferro/química , Modelos Químicos , Óxidos/química , Titânio/química , Algoritmos , Cátions/química , Cátions Bivalentes/química , Simulação por Computador , Cristalografia por Raios X , Metais Terras Raras/química , Modelos Moleculares , Conformação Molecular , Pressão
15.
Trends Microbiol ; 7(1): 22-9, 1999 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-10068994

RESUMO

Marek's disease virus (MDV) is an avian herpesvirus that causes rapid development of T-cell lymphomas in chickens. The MDV genes currently thought to be involved in lymphomagenesis include a bZIP transactivator that is homologous to fos and jun oncogenes but do not appear to have counterparts in other oncogenic herpesviruses.


Assuntos
Transformação Celular Neoplásica , Transformação Celular Viral , Herpesvirus Galináceo 2/fisiologia , Doença de Marek/virologia , Linfócitos T/virologia , Animais , Galinhas , Genes Virais , Herpesvirus Galináceo 2/genética , Proteínas Oncogênicas Virais/genética , Linfócitos T/fisiologia , Transativadores/genética
16.
J Gen Virol ; 76 ( Pt 11): 2903-7, 1995 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-7595402

RESUMO

In the process of generating an insertional mutant of herpesvirus of turkeys (HVT) expressing lacZ at the protein kinase (PK) locus, we isolated a recombinant which contained an intact PK gene but the short unique regions US1, US10 and SORF3 had been deleted and replaced by the lacZ cassette. Moreover, the virus contained duplicate copies of gD, gI and gE in an opposite orientation flanking lacZ, US2 and PK which were contiguous. These results are of interest in relation to the flexibility of the short unique segment (Us) and of the inverted repeats flanking Us of the alpha-herpesviruses. The recombinant expressed beta-galactosidase and was genetically stable in vitro and in vivo. Chickens inoculated with the virus developed antibodies to HVT antigens and to beta-galactosidase but the replication of the recombinant in vivo was impaired in comparison to parental HVT as shown by a reduction in the proportion of infected lymphocytes.


Assuntos
Genes Virais , Herpesviridae/genética , Óperon Lac , Animais , Anticorpos Antivirais/biossíntese , Sequência de Bases , Células Cultivadas , Embrião de Galinha , Galinhas , Clonagem Molecular , Primers do DNA , Regulação Viral da Expressão Gênica , Herpesviridae/fisiologia , Dados de Sequência Molecular , Mutagênese Insercional , Plasmídeos , Proteínas Recombinantes de Fusão/genética , Proteínas Recombinantes de Fusão/imunologia , Proteínas Recombinantes de Fusão/metabolismo , Perus/virologia , Replicação Viral
17.
Arch Virol ; 140(2): 355-62, 1995.
Artigo em Inglês | MEDLINE | ID: mdl-7710361

RESUMO

We have identified and sequenced a 2.3 kb cDNA clone RPL(N.S) 6 derived from the Marek's disease virus (MDV)-transformed cell line RPL1, which contained open reading frames (ORFs) homologous to UL49 (VP22) and UL48 (VP16) of herpes simplex virus. Northern blot hybridization identified a 2.5 kb transcript corresponding to this cDNA clone in the total RNA from MSB1 lymphoblastoid cells, but not in RNA from the original RPL1 cells, most probably due to the very low level of its transcription. In vitro translation demonstrated that both MDV UL49 and UL48 can be expressed from a single mRNA.


Assuntos
Proteína Vmw65 do Vírus do Herpes Simples/genética , Herpesvirus Galináceo 2/genética , Proteínas Virais/genética , Proteínas Estruturais Virais , Sequência de Aminoácidos , Animais , Sequência de Bases , Linhagem Celular Transformada , DNA Complementar/genética , Proteína Vmw65 do Vírus do Herpes Simples/química , Dados de Sequência Molecular , Fases de Leitura Aberta , Biossíntese de Proteínas , RNA Mensageiro/genética , RNA Viral/genética , Transcrição Gênica , Células Tumorais Cultivadas , Proteínas Virais/química
18.
J Gen Virol ; 75 ( Pt 10): 2747-53, 1994 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-7931161

RESUMO

Nine open reading frames mapping in the short unique (US) region of the genome of herpesvirus of turkeys (HVT) were expressed by in vitro transcription and translation. The observed M(r)s of US10, SORF3 and US2 were as predicted from the sequence but there were discrepancies between the observed and predicted M(r)s of US1, protein kinase, gI, gD and gE. These could be accounted for in most cases by post-translational and co-translational processing. Analysis of the synthesized products at different time points provided evidence for post-translational modification of HVT protein kinase. Translation in the presence of microsomal membranes resulted in co-translational processing of HVT gD, gI and gE by glycosylation and signal peptide cleavage.


Assuntos
Gammaherpesvirinae/genética , Genoma Viral , Fases de Leitura Aberta , Perus/virologia , Animais , Sequência de Bases , Clonagem Molecular , Gammaherpesvirinae/metabolismo , Herpesvirus Galináceo 2/genética , Biossíntese de Proteínas , Proteínas Quinases/metabolismo , Processamento de Proteína Pós-Traducional , RNA Viral/biossíntese , Transcrição Gênica , Proteínas Virais/biossíntese , Proteínas Virais/isolamento & purificação
19.
J Gen Virol ; 74 ( Pt 6): 1185-90, 1993 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-8389802

RESUMO

The glycoprotein H (gH) genes of two avian herpesviruses, Marek's disease virus and the herpesvirus of turkeys, have been cloned and sequenced and the coding regions found to be of 2439 and 2424 nucleotides respectively. The predicted primary polypeptide products of these open reading frames are 813 and 808 amino acids and correspond to Mrs of 90,800 and 91,100. Both amino acid sequences exhibit characteristic glycoprotein features such as hydrophobic signal and anchor sequences and potential sites for N-linked glycosylation. Polypeptide sequence comparison to the other eight available gH sequences revealed more similarity to the alphaherpesvirus subgroup than to either beta- or gammaherpesviruses.


Assuntos
Genes Virais/genética , Herpesviridae/genética , Herpesvirus Galináceo 2/genética , Perus/microbiologia , Proteínas do Envelope Viral/genética , Sequência de Aminoácidos , Animais , Sequência de Bases , Dados de Sequência Molecular , Análise de Sequência , Homologia de Sequência de Aminoácidos , Homologia de Sequência do Ácido Nucleico
20.
J Gen Virol ; 70 ( Pt 11): 3055-65, 1989 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-2555435

RESUMO

In this paper we present the nucleotide sequences of the thymidine kinase (TK) genes of two avian herpesviruses: a highly oncogenic strain of Marek's disease virus (MDV strain RB1B) and its serologically related vaccine virus, the herpesvirus of turkeys (HVT strain Fc-126). The predicted coding regions of the two genes are 1029 and 1050 nucleotides respectively, corresponding to polypeptides of 343 and 350 amino acids in length. Putative nucleotide- and nucleoside-binding sites have been identified within the two predicted amino acid sequences. The MDV and HVT TK amino acid sequences exhibit 58.2% amino acid identity. Comparison with other available herpesvirus TK sequences reveals a greater homology to those of the alphaherpesviruses than to those of the gammaherpesviruses. No overall homology was found when compared with the chicken cytoplasmic TK sequence.


Assuntos
Genes Virais , Herpesviridae/genética , Herpesvirus Galináceo 2/genética , Timidina Quinase/genética , Proteínas Estruturais Virais/genética , Sequência de Aminoácidos , Sequência de Bases , DNA Viral/genética , Herpesviridae/enzimologia , Herpesvirus Galináceo 2/enzimologia , Dados de Sequência Molecular
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