bluuebunny/crossref_metadata_2025_split huggingface dataset:
Prenatal diagnosis of Apert syndrome: report of two cases
Authors: Skidmore David L. , Pai Aditya P. , Toi Ants , Steele Leslie , Chitayat David 
Published: December 2003

AbstractTwo de novo cases with Apert Syndrome detected prenatally are presented herein. In the first, fetal ultrasound findings of syndactyly of the hands, craniosynostosis and proptosis resulted in a prenatal diagnosis in the nineteenth week of gestation. This is the earliest prenatal diagnosis of this syndrome in a not‐at‐risk case. Following counseling, this pregnancy was terminated and subsequent pathological examination and DNA analysis confirmed the diagnosis of Apert Syndrome and coarctation of the aorta. In the second case, fetal ultrasound at 21 weeks' gestation revealed a hypoplastic left heart and clover‐leaf skull. Following counseling, this pregnancy was also terminated. Further examination of the fetus and DNA analysis led to a diagnosis of Apert Syndrome. These cases emphasize the need to complete a thorough fetal ultrasound in cases with potentially lethal cardiac abnormality and the importance of incorporating a fetal pathologist, as well as a medical geneticist, in the investigations performed after delivery or pregnancy termination when a fetal abnormality is detected on ultrasound. Copyright © 2003 John Wiley & Sons, Ltd.
Adverse pregnancy outcomes associated with maternal enalapril antihypertensive treatment
Authors: Tabacova Sonia , Little Ruth , Tsong Yi , Vega Amarilys , Kimmel Carole A. 
Published: December 2003

AbstractBackgroundAdverse pregnancy outcomes following the use of angiotensin‐converting enzyme (ACE) inhibitors, including enalapril, have been reported in descriptive studies. However, no analytical studies on the relationship between the adverse outcomes and enalapril gestational exposures are available.ObjectivesTo explore the association between enalapril exposure and adverse outcomes in pregnancy, taking into account other possible risk factors.MethodsWe analyzed a series of all usable cases reported to the FDA between 1986 and 2000 in which enalapril was a suspect drug for the observed adverse outcomes (N = 110). Parameters of exposure and reported outcomes as well as information on potentially confounding variables were systematically abstracted from this series by a single physician. Because exposure to ACE inhibitors after the first trimester of pregnancy had been associated with adverse outcomes in the existing literature, we divided the cases into those exposed in the first trimester only (considered as the baseline group) and cases exposed beyond or after this time. Frequency of reported adverse outcomes in the second group was compared with those in the baseline group; odds ratios were computed, taking account of potentially confounding variables by logistic regression where appropriate.ResultsExposure to enalapril after the first trimester of pregnancy was strongly associated with oligohydramnios and specific adverse outcomes thought to be secondary to reduced amniotic fluid volume (limb deformities, cranial ossification deficits, lung hypoplasia), as well as with neonatal renal failure. The relationship did not change after taking numerous potential confounders into account, including duration of exposure, concomitant drug use, maternal age, concurrent disease, neonatal gender, and gestational age at birth. Such a pattern of abnormalities is considered to be a consequence of the effect of ACE inhibition on fetal renal function that develops after the first trimester.ConclusionThe specificity and temporality of the observed adverse manifestations suggest a causal relationship to enalapril exposure. Copyright © 2003 John Wiley & Sons, Ltd.
Patient approach and experience regarding complementary medicine: survey among hospitalized patients in a university hospital
Authors: Rosen Irit , Azzam Zaher S. , Levi Tiferet , Braun Eyal , Krivoy Norberto 
Published: December 2003

AbstractPurposeTo characterize the local population that turns to complementary medicine.MethodsParticipants were selected randomly: Medicine [A] (201 patients); Surgery [B] (100 patients); Control [C] (128 patients). The answers to the first two questions determined whether the questionnaire was to be completed.ResultsMore females sought complementary medicine treatment, with no significant demographic differences among the groups. Nearly 20% of the subjects had academic education while 43% had completed high school. The results of the 16 significant questions were statistically different when comparing groups C and A (p = 0.025) and B (p = 0.011) respectively. A total of 16%, 12.4% and 9% of the subjects respectively preferred a physician MD as their complementary medicine practitioner and 49% [C], 34% [A] and 29% [B] respectively, favored teaching complementary medicine in medical and nursing schools.ConclusionsA total of 37% [C], 21% [B] and 27% [A] of the subjects experienced complementary medicine intervention at least once. The percentage of individuals holding academic degrees was higher in the group utilizing complementary medicine than those who did not. Only 21% of C and A groups and 12% of B group knew about adverse reactions to complementary therapies. More than 30% favored ‘legalizing’ complementary medicine. Copyright © 2003 John Wiley & Sons, Ltd.
Do doctors rely on pharmaceutical industry funding to attend conferences and do they perceive that this creates a bias in their drug selection? Results from a questionnaire survey
Authors: Rutledge Philip , Crookes David , McKinstry Brian , Maxwell Simon R. J. 
Published: December 2003

AbstractPurposeTo determine the sources of funding for doctors attending conferences and meetings and the doctors' perception on whether their involvement with the pharmaceutical industry created a conflict of interest or bias in their drug selection.MethodA postal questionnaire was distributed to 622 hospital doctors and 515 general practitioners (GPs) working in the Edinburgh area in Scotland, UK.ResultsThe pharmaceutical industry funded approximately half of the meetings and conferences attended by doctors. Less than 20% of the doctors funded themselves. One‐third of the meetings would not have been attended if funding from the industry had not been available. Hospital doctors and GPs had similar views on conflict of interest and bias. A minority of doctors (40%) thought that industry involvement created a conflict of interest but the majority of doctors (86%) thought that it did not create a bias in their own drug selection.ConclusionsIf continuing medical education (CME) for doctors is going to rely on pharmaceutical industry funding in the future, then we need more explicit codes of conduct. It is of concern that while many doctors recognise the potential for the industry to influence their prescribing habits, few recognise that they themselves are susceptible. Copyright © 2003 John Wiley & Sons, Ltd.
Calculation of one‐center integrals in parametric methods using simulated annealing and simplex methods
Authors: Ruette F. , Sánchez M. , Mendoza C. , Sierraalta A. , Martorell G. , González C. 
Published: December 2003

AbstractA methodology to compute the one‐center integrals required for molecular calculations in parametric methods is presented. It is based on the simulated annealing technique combined with the simplex method, which are used to calculate parameterized one‐center integrals in atomic systems. It is found that for an adequate selection of electronic states it is possible to obtain a set of parameters that reproduce accurately the experimental atomic excitation energies. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Vibrational and electronic contributions to the polarizability and first hyperpolarizability of monosubstituted acetylene: Theoretical study
Authors: Saal Amar , Ouamerali Ourida 
Published: December 2003

AbstractThe two contributions, vibrational and electronic, to the electrical properties polarizability and first hyperpolarizability of monosubstituted acetylene HCCX (with X = F, Cl, Br, OH, SH, BH2, NH2, CH3, and SiH3) have been evaluated using the self‐consistent field wave functions within the double‐harmonic oscillator approximation. The results show that both contributions to the electrical properties are sensitive to the nature of the substituent: electronegativity, atomic volume, and X‐weight. In some cases, X = NH2, SiH3, and SH, the nonlinear optical response is essentially due to, and only to, the vibrational response β of the molecule. A complete study is made upon two tracks, upon the intrinsic properties of X and upon the IR and Raman spectra as well as the sum‐over‐modes expression. We also calculated the electrical properties at the AUG‐cc‐pVDZ basis set and at geometric parameters optimized at different levels of theory (B3LYP and MP2). © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
C1C2 bond cleavage in vinylidenecyclopropanes: Theoretical density functional theory study
Authors: Zhanpeisov Nurbosyn U. , Mizuno Kazuhiko , Anpo Masakazu , Leszczynski Jerzy 
Published: December 2003

AbstractDensity functional calculations at the B3LYP/6‐31G* level were carried out to investigate the photo rearrangements in 1,1‐diarylvinylidene‐2,3‐dimethyl‐ and 1,1‐diarylvinylidene‐2,2,3,3‐tetramethylcyclopropanes. Among the five different routes considered, none except the one leading to the final products of butatriene derivatives (route 4) was found to be able to explain the experimental findings only. However, the route 4 points out on the involvement of the C1C2 bond cleavage in strained cyclopropane ring. Thus, a new mechanism that results in successive transformations was suggested to explain this distinct C1C2 bond cleavage in cyclopropane ring for both precursors leading to formation of butatriene derivatives. The results of calculations indicate that photochemistry of vinylidenecyclopropane derivatives is significantly different than in the case of methylenecyclopropane compounds. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Studies of metal isotope and deuteration effects in vibrational spectra of palladium(II) complex with histamine
Authors: Drożdżewski Piotr M. , Kordon Ewa , Roszak Szczepan 
Published: December 2003

AbstractVibrational spectra of the palladium(II) complex with histamine were studied within the density functional theory (DFT) formalism. In addition, frequency shifts due to N‐deuteration and isotopic Pd104 on Pd110 replacement were determined theoretically and compared with those measured. All spectra were supplemented by the potential energy distribution analysis. The theoretical results were applied to the complete band assignment of newly and previously measured spectra. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Theoretical study of the energetic and possible intermediates of the CH3CH2O2 self‐reaction
Authors: Feria Leticia , Gonzalez Carlos , Castro Miguel 
Published: December 2003

AbstractBy means of ab initio and density functional theory methods we have studied the geometry and electronic structure of the ethyl peroxyl radical, CH3CH2O2, and of the tetraoxide intermediates, CH3CH2O4CH2CH3, involved in the self‐reaction of this radical. These kinds of reactions may occur in the troposphere and, depending on the structure of the intermediates, the following pathways are originated: (I) 2CH3CH2O2 → 2CH3CH2O + O2, (II) 2CH3CH2O2 → CH3CH2OH + CH3CHO + O2, and (III) 2CH3CH2O2 → CH3CH2O2CH2CH3 + O2. The energetic of these three reactions was also addressed. With the aid of the Gaussian 98 package, full geometry optimizations, electronic structure, vibrational frequencies, and total energies were determined for reactives, intermediates, and products of each pathway. Calculations, of the all‐electron type, were done at the Hartree–Fock (HF), MP2, and B3LYP levels of theory using 6‐311G(2d,2p) orbital basis sets. It was found that the B3LYP results, for the enthalpy of the reactions, ΔHr, are in better agreement with the experiment than the HF and PMP2 estimates. Indeed, the ΔHr for paths I and II, including zero‐point energies, are +2.3 and −80.2 kcal/mol, respectively, which compares well with the experimental values: +5.5 and −82.0 kcal/mol. Our prediction for ΔHr of path III is −29.7 kcal/mol. Moreover, three intermediates, A, B, and C, of different geometry and energy were found. The structure of each intermediate is closely connected with the products obtained in each reaction path, as determined experimentally. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
MCSCF study of the thermal isomerization of tricyclo[2.1.0.02,5]pentane to 1,3‐cyclopentadiene
Authors: Davis Steven R. , Qin Changyong , Zhao Zhendong 
Published: December 2003

AbstractThe isomerization of tricyclo[2.1.0.02,5]pentane to 1,3‐cyclopentadiene was studied using ab initio calculations at the multiconfiguration self‐consistent field level of theory. Single‐point energy calculations were also performed using the MCQDPT2 and CCSD(T) methods. The isomerization process was found to proceed through a concerted, asynchronous pathway characterized as a disrotatory ring opening of the bicyclobutane moiety. The activation barrier was found to be 42 kcal/mol. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Dimensions of autonomy: Primary teachers' decisions about involvement in science professional development
Authors: Schibeci Renato A. , Hickey Ruth L. 
Published: December 2003

AbstractProfessional development (PD) for primary science teachers is recognized as an important activity which can support improved science education for students. Analysis of interviews with practicing primary science teachers is used to identify the range of PD experiences of a sample of teachers from Western Australia. Teachers' reasons for attending or avoiding science‐related PD are categorized as “decision issues” which include opportunity, compulsion, convenience, enticement, interest, recommendation, and relevance. Case studies describe the interplay of these issues, which result in teachers' attendance or avoidance of PD. A subset of the sample is used to explore teachers' views of other activities which they recognize as contributing to their science teaching, content knowledge, and pedagogy. These other activities include hobbies, partner's job, and pursuing students' interests. Legitimating teachers' own interests as a source of personally derived PD is supported as an avenue to increase the diversity of topics studied by students and to increase the level of content knowledge held by teachers. © 2003 Wiley Periodicals, Inc. Sci Ed 88:119–145, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/.sce10091
Real options reasoning and a new look at the R&D investment strategies of pharmaceutical firms
Authors: Gunther McGrath Rita , Nerkar Atul 
Published: December 2003

AbstractReal options reasoning (ROR) is a conceptual approach to strategic investment that takes into account the value of preserving the right to make future choices under uncertain conditions. In this study, we explore firms' motivations to invest in a new option. We find, based on an analysis of a large sample of patents by firms active in the pharmaceutical industry, that their investments in R&D are consistent with the logic of ROR. We identify three constructs—scope of opportunity, prior experience, and competitive effects—which have an influence on firms' propensity to invest in new R&D options and which could usefully be incorporated in a strategic theory of investment. Copyright © 2003 John Wiley & Sons, Ltd.
Capabilities, business processes, and competitive advantage: choosing the dependent variable in empirical tests of the resource‐based view
Authors: Ray Gautam , Barney Jay B. , Muhanna Waleed A. 
Published: December 2003

AbstractA growing body of empirical literature supports key assertions of the resource‐based view. However, most of this work examines the impact of firm‐specific resources on the overall performance of a firm. In this paper it is argued that, in some circumstances, adopting the effectiveness of business processes as a dependent variable may be more appropriate than adopting overall firm performance as a dependent variable. This idea is tested by examining the determinants of the effectiveness of the customer service business process in a sample of North American insurance companies. Results are consistent with resource‐based expectations, and they show that distinctive advantages observable at the process level are not necessarily reflected in firm level performance. The implications of these findings for research and practice are discussed along with a discussion of the relationship between resources and capabilities, on the one hand, and business processes, activities, and routines, on the other. Copyright © 2003 John Wiley & Sons, Ltd.
Cloning and sequence analysis of the TRP1 gene encoding the phosphoribosyl anthranilate isomerase from Pichia anomala (strain K)
Authors: Friel Damien , Vandenbol Micheline , Haïssam Jijakli M. 
Published: December 2003

AbstractPichia anomala (strain K) is an efficient biocontrol agent against post‐harvest diseases affecting apples. To study the role of strain K genes in biocontrol activity, it is useful to identify selectable markers on which to base a gene disruption strategy. The Pichia anomala TRP1 gene (PaTRP1) was isolated by complementation of the multi‐auxotrophic S. cerevisiae strain FY‐1679‐18b. DNA sequence analysis revealed the presence of a 699 bp ORF encoding a 233 amino acid protein showing the typical conserved structure of proteins of the phosphoribosyl anthranilate isomerase (PRAI) family. Codon analysis revealed a high number of unused codons. Downstream from PaTRP1 was found the 3′ extremity of a gene highly similar to the IPP1 gene (coding for the inorganic pyrophosphatase). In addition, a sequence of the 5′ extremity of the insert is highly similar to a fragment of the S. cerevisiae PRP9 gene, coding for a spliceosome‐associated protein. The nucleotide sequence has been deposited in the Genbank database under Accession No. AY198188. Copyright © 2003 John Wiley & Sons, Ltd.
Physical and sexual abuse of women before, during, and after pregnancy
Authors: Guo S.F , Wu J.L , Qu C.Y , Yan R.Y 
Published: December 2003

AbstractObjectives: To examine patterns of physical and sexual abuse before, during, and after pregnancy. Methods: A community‐based interview survey of a representative group of women with children aged 6–18 months was carried out between November 1, 2001, and February 28, 2002, in 32 communities of the Tianjing, Liaoning, Henan, and Shannxi provinces. Results: The overall prevalence of physical and sexual abuse (occurring before, during, and after pregnancy) was 11.7%. The prevalence of physical and sexual abuse before pregnancy was 8.5%, compared with 3.6% during pregnancy and 7.4% during an average postpartum period of 11 months. Abuse before pregnancy was a strong indicator of abuse during pregnancy and after delivery, and abuse during a previous period was a strong indicator of subsequent abuse. Most abuse was recurrent and not severe. Conclusion: Routine screening for abuse in the maternity services setting is advocated to decrease the effect of abuse on women and their children.
Intrapartum fetal pulse oximetry and fetal heart rate decelerations
Authors: Puertas A. , Navarro M. , Velasco P. , Montoya F. , Miranda J.A. 
Published: December 2003

AbstractObjectives: To determine the behavior of fetal oxygenation (FSpO2) in different patterns of fetal heart rate decelerations (FHR). Methods: A total of 787 decelerations were studied. Results: FSpO2 decreased significantly during decelerations, especially when the alteration was prolonged. Conclusions: Modifications in FHR occur simultaneously with alterations in FSpO2, although the latter do not persist in time. Different degrees of FSpO2 seen prior to deceleration are an expression of fetal respiratory status.
Comparison of chondrocyte apoptosis in vivo and in vitro following acute osteochondral injury
Authors: Costouros John G. , Dang Alexis C. , Kim Hubert T. 
Published: December 2003

AbstractThe objective of the present study was to directly compare levels of chondrocyte apoptosis produced by osteochondral injury in vivo and in vitro. Adult New Zealand White rabbits underwent 2 mm osteochondral drilling of the medial and lateral femoral condyles of a single hind limb. Animals were euthanized, and specimens were harvested at 0, 2, 4, 7, 10, and 14 days following injury. At the time of euthanasia, identical injuries were created in the femoral condyles of the contralateral hind limb. These condyles were maintained in vitro under standard tissue culture conditions until harvesting at time points corresponding to the in vivo specimens (i.e. after 0, 2, 4, 7, 10 and 14 days in culture). The extent of apoptosis in the in vivo and in vitro specimens was quantified by TUNEL analysis. The amount and distribution of TUNEL positive cells followed similar patterns in both in vivo and in vitro specimens with a maximal percentage of apoptotic chondrocytes observed on post‐injury day 4. On post‐injury day 4, in vivo specimens displayed a statistically significant increased overall level of apoptosis compared to in vitro specimens [in vivo = 32.5 ± 8.6%; in vitro = 22.2 ± 4.8%; (p = 0.03)]. These experiments suggest that the majority of programmed cell death observed after osteochondral injury can be attributed to processes intrinsic to the cartilage itself; however, additional factors present within the acutely traumatized joint also appear to potentiate chondrocyte apoptosis following injury. © 2003 Orthopaedic Research Society. Published by Elsevier Ltd. All rights reserved.
Evaluation of a method to map tibiofemoral contact points in the normal knee using MRI
Authors: Scarvell Jennifer M. , Smith Paul N. , Refshauge Kathryn M. , Galloway Howard R. , Woods Kevin R. 
Published: December 2003

AbstractA technique using magnetic resonance imaging (MRI) is proposed for analysis of knee motion that is practical in the clinical situation. T1 weighted fast spin echo (FSE) and spoiled gradient echo (GE) sequences were compared to image both knees at 15° intervals from 0° to 90° flexion, while unloaded and loaded. The medial and lateral tibiofemoral contact points were mapped reliably using both FSE sequences and GE sequences with intra‐class correlation(2,1) of 0.96 (CI 99% = 0.94–0.97) and 0.94 (CI 99% = 0.91–0.97), respectively. Results were consistent with the current literature on knee motion: the medial and lateral tibiofemoral contact pathways were different (F1.80 = 253.9, p < 0.0001) reflecting the longitudinal rotation of the knee, the loaded and unloaded knees were not different in the healthy knee (F1.80 = 0.007, p = 0.935), and the left and right knee were consistent for each individual (F1.80 = 0.005, p = 0.943). Therefore, right to left differences may be attributed to pathology. MRI analysis of knee kinematics as described by this technique of tibiofemoral contact point mapping provides a robust and reliable method of recording the tibiofemoral contact pattern of the knee. © 2003 Orthopaedic Research Society. Published by Elsevier Ltd. All rights reserved.