27 research outputs found
Sepsis nosocomial en el reci茅n nacido menor de 1500 gramos. An谩lisis epidemiol贸gico en dos per铆odos de tiempo
Durante las 煤ltimas d茅cadas se ha producido un aumento de la supervivencia de los reci茅n nacidos pret茅rmino gracias a las mejoras en los tratamientos que estos pacientes reciben, entre los que se incluye el tratamiento con surfactante pulmonar, mejoras en los aparatos de ventilaci贸n mec谩nica, utilizaci贸n de nutrici贸n parenteral e inicio precoz de la nutrici贸n enteral. Parte de este tratamiento incluye la prevenci贸n y detecci贸n y manejo de las infecciones de los reci茅n nacidos menores de 1500 g (RNMBP), entre los que la sepsis de inicio tard铆o tiene una alta incidencia, mayor cuanto menor es el peso o la edad gestacional del reci茅n nacido. Material y m茅todos. Ventajas y sesgos del estudio. Se analizaron con el programa SPSS 15.0 las caracter铆sticas perinatales, factores de riesgo y morbimortalidad asociada a la prematuridad en relaci贸n con la aparici贸n de un primer episodio de sepsis de inicio tard铆o en 222 pacientes ingresados en el Hospital Cl铆nico San Carlos (HCSC) en los a帽os 2007, 2008, 2011 y 2012. Se realiz贸 un an谩lisis univariado de cada una de las variables estudiadas en relaci贸n con la variable principal del estudio (primer episodio de sepsis con confirmaci贸n microbiol贸gica de inicio tard铆o) y posteriormente se ajustaron por edad gestacional y se compararon con los datos disponibles de los hospitales miembros del grupo SEN1500 de la Sociedad Espa帽ola de Neonatolog铆a y con la literatura cient铆fica disponible. Para evitar el sesgo de mala clasificaci贸n se recogieron los datos seg煤n las variables consensuadas y estandarizadas del protocolo aprobado por el grupo SEN1500 y, en aquellos casos en los que 茅ste no hubiese descrito, se recurri贸 a las definiciones recogidas por otras sociedades cient铆ficas. Objetivos y resultados. Se valoraron los principales antecedentes maternales de los pacientes. En el an谩lisis univariado solo se encontr贸 asociaci贸n estad铆sticamente significativa entre parto vaginal y desarrollo de sepsis de inicio tard铆o, asociaci贸n que desapareci贸 al ajustar por edad gestacional los datos. No se encontr贸 asociaci贸n con el resto de variables de la historia materna (etnia, uso de antibioterapia preparto, uso de corticoides antenatales, embarazo m煤ltiple o fecundaci贸n in vitro)..
Lattice-Dynamical Calculation of Second-Order Thermal Diffuse Scattering in Molecular Crystals
A computer procedure has been developed to calculate
second-order thermal diffuse scattering (TDS)
intensity for molecular crystals from latticedynamical
calculations with an atom-atom potential
in the Born-von K~irmfin formalism. It is applied to
monoclinic phenothiazine and different contributions
to second-order TDS intensity, acoustic-acoustic,
acoustic-optic and optic-optic, are compared. Calculations
are also performed in the long-wave approximation
allowing for dispersion (LWD) and correction
factors of Bragg intensities due to TDS contribution
in the LWD approximation are, generally but not
always, lower than lattice-dynamical ones; the ratio
between LWD and 'exact' factors ranges from 0.4 to
1.4 for reflections considered
Structure of 1,3-Dihydro-4-[(2R)-2,5-dihydro-2-furyl]-3-phenyl-l-(p-tolyl)-2H-imidazole- 2-thione, C20HlsN2OS
Mr=334.4, orthorhombic, P212~2 ~, a=
9.366(4), b=20.616(5), c=9.137(4)A, V=
1764 (1) A 3, Z = 4, D x = 1.26 Mg m -3, 2(Mo Ka) =
0.7107 A, g = 0.18 mm -~, F(000) = 704, T= 300 K,
final R--0.056 (wR =0.052) for 1979 observed
reflections [I > 2a(/)]. The furanose ring is approximately
planar because of the double bond, 1.289 (9) A,
which affects the conformation of the ring. The dihedral
angle between the furanose and imidazole least-squares
planes is 69.9 (2) 掳. A possible C--H...O hydrogen
bond has been detected involving C and O atoms in the
furanose ring, giving infinite helical chains along [001 ]
First- and Second-Order Thermal Diffuse Scattering (TDS) Intensity in Molecular Crystals: Influence on Crystal Structure Parameters
First- and second-order thermal diffuse scattering
(TDS) intensities are calculated in the long-wave
approximation allowing for dispersion (LWD) in
monoclinic phenothiazine from polarization vectors
and lattice-mode frequencies obtained from lattice
dynamical calculations within the harmonic approximation
and the external Born-von K~irmfin formalism
using an atom-atom potential function in the form
V(r) =-A/r6+ B exp (-Cr). The influence of firstand
second-order TDS intensity on electronic density
maps is analysed and compared. Least-squares refinements
of positional and thermal parameters are
carried out in different ranges of sin 0/A taking into
account both first- and second-order TDS contributions
and the results are discussed
Structure of 4-(~-D-Erythrofuranosyl)-3-methyl- l-(p-tolyl)-4-imidazoline-2-thione Monohydrate, C 15H18N203S.H20
Mr=324.4, orthorhombic, P212t2 ~, a=
32.150(5), b=10.215(1), c=4.805(1)A, V=
1578.0 (4)/~3, Z = 4, D x = 1.36 Mg m -a, 2(Cu Ka) =
1.5418A, #=1.953mm -1, T=300K, final R=
0.050 for 1361 observed [I>2tr(I)] independent
reflexions. The sugar ring adopts a conformation
intermediate between envelope 2E and twist 2T forms.
The orientation of the imidazoline ring with respect to
the furanose is anti; the glycosidic angle is 24.6 (7) 掳.
The crystal packing is due to hydrogen bonds involving
the hydration water molecules
Lattice Dynamical Calculation of First-Order Thermal Diffuse Scattering in Phenothiazine
A computer program has been developed to calculate
first-order thermal diffuse scattering (TDS) intensity
from eigenvectors and eigenvalues of the dynamical
matrix obtained within the harmonic approximation
with an atom-atom potential function and the external
Born-yon Kfirmfin formalism. It is applied to
monoclinic phenothiazine and correction factors of
Bragg intensities due to TDS contribution are calculated
and compared with the long-wave approximation.
A Fourier difference synthesis is performed in
order to reveal the influence of TDS contributions
in electron density maps. A least-squares process is
carried out to obtain the changes in structural parameters
due to TDS contribution
Lattice Dynamics and Thermal Crystallographic Parameters in Phenothiazine
A computer program has been developed to study
the lattice dynamics of molecular crystals in the harmonic
approximation with the external Born-yon
KS.rm~n formalism and an atom-atom potential function.
Dispersion curves are obtained for monoclinic
phenothiazine together with frequency distribution
functions and external mode contribution to thermodynamic
functions. Lattice dynamical T, L and S
rigid-body tensors are obtained and individual thermal
tensors are compared with experiment. The disagreement
with respect to experimental results is of
the same order as the disagreement with a
Schomaker-Trueblood fit of experimental data
Structure of l-(p-Ethoxyphenyl)-1,3-dihydro-3-phenyl-2H-benzimidazole-2-thione, C2IHlaN2OS
Mr=346-4, orthorhombic, P212121, a=
7.600(1), b= 11.132(2), c=20.767 (3)A, v=
1756.9(5)A 3, z=4, Dx=1.31Mgm -3, 2(CuKct)
=.1.5418/k, /~= 1.67mm -1, F(000)=728, T=
300 K. Final R = 0.049 for 1531 observed independent
reflections. The benzimid~zole bicycle is quasi-planar,
the dihedral angle between the two fused rings being
1.6 (2) 掳. The unsubstituted phenyl ring is planar while
the phenyl ring with the ethoxy substituent deviates
significantly from the expected planar conformation
Structure and Absolute Configuration of 4-(a-D-Erythrofuranosyl)-1,3-dihydro-3-methyll-( p-tolyl)-2H-imidazole-2-thione, C 15 H18N2038
M r = 306.4, monoclinic, P21, a = 14.686 (6),
b=5.359(4), c=9.439(3) A, fl=98.68(3) 掳 , V=
734.4 (7)/I,3, Z = 2, D x = 1.38 Mg m -3, 2(Mo Kct) =
0.7107 A, /t = 0-22 mm -1, F(000) = 324, T= 300 K,
final R=0.042 (wR=0.037) for 1987 observed
independent reflections. The sugar ring has a conformation
intermediate between 3T 2 and 3E. The configuration
of the imidazole ring with respect to the
furanose ring is anti, the glycosidic angle being
-9.3 (4) 掳 . The crystal packing is governed by hydrogen
bonds involving OH groups and S atoms, forming
infinite chains along [001]
Incommensurate instability and lattice dynamics of potassium selenate within a semiempirical rigid-ion model
The lattice dynamics of potassium selenate is analyzed using a rigid-ion model with the selenate groups reduced to rigid bodies. The interatomic forces have been adjusted only using static structural data. The number of adjustable parameters varies from two to five. Such a simple model is already sufficient to reproduce semiquantitatively the phonon dynamics of the real system. In particular, the model exhibits the lattice instability leading to the existence of an incommensurate phase. The characteristics of the resulting soft mode agree with those observed experimentally. The calculated eigenvector, in excellent agreement with the experimental one, is rather insensitive to the details of the interactions. This explains the strong similarities of the incommensurate modulations in most A2BX4 compounds. On the other hand, the form of the soft-phonon branch strongly depends on the force model. It is sufficient to fit the model to the static structure observed at 145 K instead of the one at room temperature, to provoke a conspicuous softening of the branch. The branch minimum is specially sensitive to some potassium-oxygen interactions. The relative size of the cations plays an essential role in the origin of the incommensurate instability. For comparison the results of a similar analysis for Cs2SeO4 are presented. In this case, the unstable or soft character of the lowest 2 branch disappears.Direcci贸n General de Investigaci贸n Cient铆fica y T茅cnica PB87-074