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Selected AbstractsThe 15N-CPMAS spectra of simazine and its metabolites: measurements and quantum chemical calculationsEUROPEAN JOURNAL OF SOIL SCIENCE, Issue 4 2007A. E. Berns Summary DFT calculations are a powerful tool to support NMR studies of xenobiotics such as decomposition studies in soil. They can help interpret spectra of bound residues, for example, by predicting shifts for possible model bonds. The described bound-residue models supported the hypothesis of a free amino side chain already suspected by comparison with the experimental data of the standards. No match was found between the calculated shifts of amide bondings of the amino side chains (free or substituted) and the experimental NMR shifts of a previous study. In the present paper, first-principles quantum chemical calculations were used to support and check the interpretation of the 15N cross polarization-magic angle spinning nuclear magnetic resonance (15N-CPMAS NMR) spectra of simazine and its metabolites. Density functional theory (DFT) calculations were performed using Gaussian 03 and the nuclear magnetic shielding tensors were calculated using the Gauge-Independent Atomic Orbital (GIAO) method and B3LYP/6,311+G(2d,p) model chemistry. Good agreement was reached between the calculated and measured chemical shifts of the core nitrogens and the lactam and lactim forms of the hydroxylated metabolites could be clearly distinguished. The calculated spectra showed that these metabolites exist preferentially in the lactam form, an important fact when considering the possible interactions of such hydroxylated metabolites with the soil matrix. Although the calculated bound-residue models in the present study only partly matched the experimental data, they were nevertheless useful in helping to interpret the experimental NMR results of a previous study. To get a better match between the calculated and the measured shifts of the side-chain nitrogens the calculations need to be further developed, taking into account the influence of neighbouring molecules in the solid state. Altogether, quantum chemical calculations are very helpful in the interpretation of NMR spectra. In the future, they can also be very useful for the prediction of NMR shifts, in particular when it is not possible to measure the metabolites due to a lack of material or in cases where practical experiments cannot be conducted. [source] Intussusception in children of school agePEDIATRICS INTERNATIONAL, Issue 1 2007TARO IKEDA Abstract Background: There are only a few reports discussing the characteristics of intussusception developing in school-age children. The characteristics of these cases are discussed, with reference to previous literature. Methods: The present study included eight cases of intussusception in school-age children among 143 intussusception patients treated on an inpatient basis at Nihon University Itabashi Hospital, during the 11 year period from 1993 to 2003. The remaining 135 patients were assigned to the infant group as controls. The clinical characteristics of intussusception in school-age children were compared with those of the condition developing in infants. Results: The eight children of school age with intussusception ranged in age from 8 to 15 years (mean, 11.6 years), and consisted of five boys and three girls. The major symptom was abdominal pain, occurring in 100% (8/8). Bloody stools and vomiting were reported in two patients each (25%) from this group. The triad of abdominal pain, bloody stools and vomiting was recognized in only one child (12.5%) of this group. Two children (25.0%) had a palpable abdominal mass, and one child (12.5%) complained of diarrhea. None of the school-age children with intussusception had any antecedent infection; five, two and one patients had the ileo-colic type, ileo-ileo-colic type and ileo-ileal type of intussusception, respectively. Four underwent enema reduction and four underwent surgical reduction. One of the eight children (12.5%) had underlying organic abnormality; in the remaining children the condition was labeled idiopathic. One child developed recurrences. Conclusions: In school-age children intussusception is generally believed to be commonly secondary to underlying organic abnormality, but in the present study only one of eight school-age children had underlying organic abnormality; in the remaining children, the condition was labeled idiopathic. The major symptom in school-age intussusception was abdominal pain. Therefore this may need to be differentiated from appendicitis in children of school age. It is considered that abdominal ultrasonography (USG) is a simple and useful method for making the diagnosis of intussusception, and that diagnostic USG should be conducted in all school-age children presenting with acute abdominal pain. [source] Endemism and cryptogenesis in ,segmented' mites: A review of Australian Alicorhagiidae, Terpnacaridae, Oehserchestidae and Grandjeanicidae (Acari: Sarcoptiformes)AUSTRALIAN JOURNAL OF ENTOMOLOGY, Issue 3 2001David Evans Walter Abstract Endeostigmata are early derivative acariform mites, fossils of which are known from the Devonian. Extant species bear numerous plesiomorphies, the most striking being remnant opisthosomal segmentation. Also, many are all-female parthenogens with broad geographical distributions. Many of the species reported in the present study may represent clones of ancient Gondwana species. Before the present study only a handful of endeostigmatans had been reported from Australia. A key to the families of Endeostigmata is provided in the present paper, along with a review of the Australian fauna of the families Alicorhagiidae (new record), Grandjeanicidae (new record), Oehserchestidae (new record), and Terpnacaridae. Terpnacarus gibbosus (Womersley) is redescribed. A report of the first records of the cosmopolitan parthenogens Alicorhagia usitata Theron et al., Alycosmesis palmata (Oudemans), Stigmalychus veretrum Theron et al., Terpnacarus carolinaensis Theron, and Oehserchestes arboriger (Theron) in Australia is provided, along with a description of the new species Grandjeanicus theroni (Grandjeanicidae). Terpnacarus variolus Shiba and T. glebulentus Theron are junior synonyms of T. gibbosus. [source] Prevalence and independent risk factors for hearing loss in NICU infantsACTA PAEDIATRICA, Issue 8 2007Elysée TM Hille Abstract Aim: To determine the prevalence and independent relationship between hearing loss and risk factors in a representative neonatal intensive care unit (NICU) population. Methods: Automated auditory brainstem response (AABR) hearing screening has been introduced since 1998 in the Dutch NICUs. After a second AABR failure, diagnostic ABR was used to establish diagnosis of hearing loss. Newborns who died before the age of 3 months were excluded. In the present study only the NICU infants who were born with a gestational age <30 weeks and/or a birth weight <1000 g between October 1, 1998 and January 1, 2002 were included. Risk factors included in the study were familial hearing loss, in utero infections, craniofacial anomalies, birth weight <1500g, hyperbilirubinemia, ototoxic medications, cerebral complications, severe birth asphyxia, assisted ventilation ,5 days and syndromes. Results: A nationwide cohort of 2186 newborns were included. Mean gestational age was 28.5 weeks (SD 1.6) and mean birth weight was 1039 g (SD 256). Prevalence of uni- or bilateral hearing loss was 3.2% (71/2186; 95% CI 2.6,4.1). Multivariate analysis revealed that the only independent risk factors for hearing loss were severe birth asphyxia (OR 1.7; 95% CI 1.0,2.7) and assisted ventilation ,5 days (OR 3.6; 95% CI 2.1,6.0). Conclusion: The prevalence of hearing loss in a representative NICU population was 3.2%. Independent risk factors for hearing loss were severe birth asphyxia and assisted ventilation ,5 days. [source] |