bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and X-Ray Structure of an Iridocenium(1+) Dichlorobis(pentamethylcyclopentadienyl)samarate(1−) Complex: [Ir(C5Me5)2][Sm(C5Me5)2Cl2]
Authors: Zhang Yugen , Hou Zhaomin , Wakatsuki Yasuo 
Published: February 2006

Abstract
Reaction of [{Sm(C5Me5)(μ-OAr)}2] (Ar = 2,6-(t-Bu)2-4-MeC6H2) or [Sm(C5Me5)2(thf)2] with 1 equiv of [{Ir(C5Me5)Cl(μ-Cl)}2] in THF gave the “ate” complex [Ir(C5Me5)2][Sm(C5Me5)2Cl2] (1) as orange-red crystals in 60—74% yields (based on Sm). Complex 1 represents the first example of a structurally characterized metallocenium lanthanocene dihalide complex. Crystal data for 1: monoclinic, space group P21/m (No. 11), a = 9.781(4), b = 14.956(4), c = 13.842(5) Å, β = 93.38(3)°, V = 2021(1) Å3, Z = 2, Dc = 1.57 g cm−3, R = 7.75%, RW = 9.23%, GOF = 1.12.
Structure-Activity Relationship of Norzoanthamine Exhibiting Significant Inhibition of Osteoporosis
Authors: Kuramoto Makoto , Hayashi Koji , Yamaguchi Kohji , Yada Mika , Tsuji Tomoko , Uemura Daisuke 
Published: February 2006

Abstract
Norzoanthamine is a zoanthamine-type alkaloid from the colonial zoanthid Zoanthus sp. Norzoanthamine hydrochloride, which suppresses the decrease in bone weight and strength in ovariectomized mice, could be a good candidate for an osteoporotic drug. Although the relative configuration of norzoanthamine was established based on an X-ray crystallographic analysis, the absolute stereochemistry of norzoanthamine remains unclear. To investigate their biogenesis and mechanisms of biological action, we conducted chemical and spectroscopic studies to determine the absolute configuration of norzoanthamines.
Theoretical Valence XPS and UV-Visible Absorption Spectra of Four Leuco Dyes Using MO Calculations
Authors: Takaoka Kazuchiyo , Maeda Sigehiro , Miura Hidetosi , Endo Kazunaka , Chong Delano P 
Published: February 2006

Abstract
Semiempirical HAM/3 MO program was used to obtain the theoretical valence X-ray photoelectron spectra (XPS) of the two leuco dyes (2′-anilino-6′-diethylamino-3′-methylspiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one (DEAMAF) and 3,3-bis(4-dimethylaminophenyl)-6-dimethylamino-1(3H)-isobenzofuranone (CVL)) and UV-visible adsorption spectra of the four leuco dyes (DEAMAF, CVL, 2′-chloro-6′-diethylamino-3′-methylspiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one (DEAMCF), and 3′,6′-bis(diethylamino)-spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one (Rhodamine B base). The calculated Al Kα photoelectron spectra were obtained using Gaussian lineshape functions of an approximate linewidth 0.10Ek (Ek = Ek′ − WD), where E′k is the vertical ionization potential (VIP) of each MO and WD is a shift to account for sample work function, polarization energy and other energy effects. On the other hand, the absorption curves were simulated with Gaussian lineshape functions of a constant linewidth of 0.02 eV. The theoretical valence energy levels corresponded well to the spectra of two leuco dyes observed 0—40 eV, while the simulated adsorption spectra were shifted for a good fit with the experimental solution spectra in the range of 250—700 nm.
Effect of a Sterically Hindered Imidazole Ligand on the Molecular Structure and Axial Ligand Substitution Reaction of the Chromium(III) Porphyrin Complex
Authors: Inamo Masahiko , Nakajima Kiyohiko 
Published: February 2006

Abstract
A structural, thermodynamic, and kinetic study of a chromium(III) complex of 5,10,15,20-tetraphenylporphyrin, [Cr(tpp)(Cl)(L)], where L represents an imidazole ligand, is presented. The present study is aimed at elucidating the effect of a steric strain induced by the 2-methyl substituent of the imidazole ligand on the molecular structure and the dynamics of an axial ligand-substitution reaction. Crystals of the 1-methylimidazole complex [Cr(tpp)(Cl)(1-Meim)] (1) and 1,2-dimethylimidazole complex [Cr(tpp)(Cl)(1,2-Me2im)] (2) were obtained from a dichloroethane–toluene mixture containing a slight excess of imidazole ligand in the monoclinic space group Cc, Z = 4, a = 18.306(2), b = 13.311(2), c = 21.391(5) Å, β = 120.05(1)°, V = 4512(1) Å3, and in the orthorhombic space group P212121, Z = 4, a = 9.926(1), b = 17.902(3), c = 25.247(4) Å, V = 4486(1) Å3, respectively. The axial Cr–Nim bond lengths for 1 and 2 are 2.103(4) and 2.139(5) Å, respectively. A steric hindrance has been demonstrated by a 0.036 Å increase in the Cr–Nim bond length and a tilting and tipping of the imidazole ligand of 2 from the symmetrical position observed in 1. The substitution reaction of the axial pyridine ligand of [Cr(tpp)(Cl)(py)] by various imidazole ligands was studied spectrophotometrically in dichloromethane or in toluene. A steric effect due to the 2-methyl substituent of the imidazole ligand was observed along with an increase in the ligand-dissociation rate and a decrease in the binding constant of the imidazole ligand to the metalloporphyrin. These results were examined in terms of steric interactions between the axial ligand and the porphyrin core.
Stereoelectronic Effects on the One-Electron Donor Reactivity of Trivalent Phosphorus Compounds. Experimental and Theoretical Investigations
Authors: Yasui Shinro , Tsujimoto Munekazu , Okamura Mutsuo , Ohno Atsuyoshi 
Published: February 2006

Abstract
Peak oxidation potentials of acyclic and cyclic phosphinites, phosphonites, and phosphites were measured by cyclic voltammetry. The inductive effect of the ligands attached to the phosphorus is a primary factor to determine of these compounds. The geometry of the compound is another important factor; is lowered when the compound adopts a geometry in which the phosphorus lone-pair orbital overlaps with the adjacent oxygen p-orbital. The stereoelectronic effects found here are interpreted in terms of the energy level of the highest occupied molecular orbital (HOMO) of these phosphorus compounds.
Relationship between Residual Metal Ions in a Solution and the Inhibitory Capability of the Metal Ions for Pathogenic Bacterial Growth
Authors: Zhao Zhi-hong , Sakagami Yoshikazu , Osaka Tetsuya 
Published: February 2006

Abstract
The inhibitory capability of various low concentrations of six kinds of metal ions [silver(I), copper(II), cobalt(II), nickel(II), zinc(II), and dichromate] for pathogenic bacterial (gram-positive bacteria Staphylococcus aureus and MRSA, gram-negative bacteria Escherichia coli and Pseudomonas aeruginosa) growth was quantitatively determined exactly. Residual metal-ion concentrations in a phosphate buffer solution after being incubated with pathogenic bacteria were then measured by an atomic-absorption spectrophotometer. We found that the inhibitory capability of metal ions correlated with the residual metal concentrations. Based on the biochemical and chemical situation, the mechanisms of the inhibitory capability of the metal ions are discussed. In addition, the determined minimum inhibitory concentration (MIC) values of metal ions on tested bacteria are considered.
Low-dose recombinant human thyrotropin-aided radioiodine treatment of large, multinodular goiters in elderly patients
Authors: Cohen Ohad , Ilany Jacob , Hoffman Chen , Olchovsky David , Dabhi Sari , Karasik Avraham , Goshen Elinor , Rotenberg Galina , Zwas S Tzila 
Published: February 2006

Objective: We aimed to assess low-dose recombinant human thyroid-stimulating hormone (rhTSH)-aided, fixed-activity radioiodine therapy of large, multinodular goiters (MNGs) in elderly patients with comorbidities.
Design: This was a short-term, observational study.
Methods: We measured 24-h thyroid radioiodine uptake (RAIU) of 2 μCi 131-iodine at baseline and 24 h after intramuscular injection of 0.03 mg rhTSH in 17 patients (aged 60–86 years, 12 women), who subsequently received 30 mCi 131-iodine 24 h after an identical rhTSH injection. TSH and free thyroxine (FT4) were measured at baseline and days 10, 30 and 90 after therapy. Thyroid volume was assessed by computed tomography at baseline and day 180.
Results: rhTSH, 0.03 mg, significantly increased mean 24-h thyroid RAIU from 25.8% ± 10.3% to 43.3% ± 8.4% (68% relative increase; t(16) = −8.43, P < 0.001). The proportion of patients overtly or subclinically hyperthyroid (TSH < 0.5 mU/l) decreased from 71% (12/17) at baseline to 19% (3/16) at 3 months. Mean serum FT4 peaked at slightly above normal range, 25.9 ± 7.7 pmol/l (46% over baseline) and was 21% under baseline levels at 3 months. Mean estimated thyroid volume fell 34% from baseline to 6 months (170.0 ± 112.8 to 113.1 ± 97.5 ml; P < 0.01). Symptomatic relief, improved well-being, and/or reduction or elimination of antihyperthyroid medication were seen in 76% of patients. Three (18%) patients had transient neck pain or tenderness, or palpitations; one had transient asymptomatic thyroid enlargement; and three (18%) became hypothyroid by 3 months.
Conclusions: Intramuscular rhTSH, 0.03 mg, followed 24 h later by 30 mCi 131-iodine, is a safe, effective and convenient treatment for MNG in elderly patients with comorbidities.
Evolution of the Bipolar Mating System of the Mushroom Coprinellus disseminatus From Its Tetrapolar Ancestors Involves Loss of Mating-Type-Specific Pheromone Receptor Function
Authors: James Timothy Y , Srivilai Prayook , Kües Ursula , Vilgalys Rytas 
Published: February 2006

Abstract
Mating incompatibility in mushroom fungi is controlled by the mating-type loci. In tetrapolar species, two unlinked mating-type loci exist (A and B), whereas in bipolar species there is only one locus. The A and B mating-type loci encode homeodomain transcription factors and pheromones and pheromone receptors, respectively. Most mushroom species have a tetrapolar mating system, but numerous transitions to bipolar mating systems have occurred. Here we determined the genes controlling mating type in the bipolar mushroom Coprinellus disseminatus. Through positional cloning and degenerate PCR, we sequenced both the transcription factor and pheromone receptor mating-type gene homologs from C. disseminatus. Only the transcription factor genes segregate with mating type, discounting the hypothesis of genetic linkage between the A and B mating-type loci as the causal origin of bipolar mating behavior. The mating-type locus of C. disseminatus is similar to the A mating-type locus of the model species Coprinopsis cinerea and encodes two tightly linked pairs of homeodomain transcription factor genes. When transformed into C. cinerea, the C. disseminatus A and B homologs elicited sexual reactions like native mating-type genes. Although mating type in C. disseminatus is controlled by only the transcription factor genes, cellular functions appear to be conserved for both groups of genes.
Effect of Maternal Multivitamin Supplementation on the Mental and Psychomotor Development of Children Who Are Born to HIV-1–Infected Mothers in Tanzania
Authors: McGrath Nuala , Bellinger David , Robins James , Msamanga Gernard I. , Tronick Edward , Fawzi Wafaie W. 
Published: February 2006

OBJECTIVES. To determine the association between maternal multivitamin supplementation and the mental and psychomotor development of children who are born to HIV-1–infected mothers in Tanzania, as secondary endpoints in a randomized trial that investigated the effect of maternal multivitamin supplementation on HIV-1 vertical transmission and progression.
METHODS. The Bayley Scales of Infant Development, 2nd Edition, were administered at 6, 12, and 18 months of age to a subset of children (N = 327). We assessed the effect of vitamin A and multivitamin (vitamins B, C, and E) supplementation using linear regression models and Cox proportional hazard models for the Mental Development Index, the Psychomotor Development Index, and raw scores separately.
RESULTS. Multivitamin supplementation was associated significantly with a mean increase in Psychomotor Development Index score of 2.6 (95% confidence interval: 0.1–5.1). Multivitamins were also significantly protective against the risk for developmental delay on the motor scale (relative risk: 0.4; 95% confidence interval: 0.2–0.7) but not on the Mental Development Index. Vitamin A supplementation had no significant effect on these outcomes.
CONCLUSIONS. Maternal multivitamin supplements provide a low-cost intervention to reduce the risk for developmental delays among infants who are born to HIV-positive mothers in developing countries.
Shortcomings in Infant Iron Deficiency Screening Methods
Authors: Biondich Paul G. , Downs Stephen M. , Carroll Aaron E. , Laskey Antoinette L. , Liu Gilbert C. , Rosenman Marc , Wang Jane , Swigonski Nancy L. 
Published: February 2006

BACKGROUND. Screening for iron deficiency anemia is a well-established practice in pediatrics, but numerous challenges surrounding current recommendations raise questions about the effectiveness of this strategy.
OBJECTIVE. To evaluate iron deficiency anemia screening approaches, by assessing rates of follow-up testing and resolution among patients meeting screening criteria in a primary care setting.
METHODS. A retrospective cohort study was performed. We extracted electronic medical record data on complete blood counts for infants who received primary care in our clinics in the past 10 years. We calculated rates of positive screening results with 9 different measurement criteria and determined rates of follow-up testing and of documented correction of iron deficiency among those who screened positive.
RESULTS. Our cohort consisted of 4984 children who were screened at 9 to 15 months of age, between 1994 and 2004. There was a wide distribution of positive detection rates (range: 1.5–14.5%) among the 9 screening criteria. Follow-up testing rates were low. No more than 25% of infants who screened positive by any criterion underwent a repeat complete blood count within 6 months. Moreover, no more than 11.6% (range: 4.4–11.6%) had documented correction of their laboratory abnormalities.
CONCLUSIONS. Significant shortcomings exist in current iron deficiency anemia screening practices. A widely agreed-on, specific, and inexpensive screening criterion, with increased emphasis on systems-based approaches to iron deficiency screening, is needed.
Vaccine Adverse Event Reporting System Reporting Source: A Possible Source of Bias in Longitudinal Studies
Authors: Goodman Michael J. , Nordin James 
Published: February 2006

OBJECTIVE. The US Vaccine Adverse Event Reporting System (VAERS) is a passive reporting system to which anyone can report an event. Publicity related to potential adverse events may change reporting patterns. The objective of this paper is to show how litigation-related reports have influenced the trends in possible adverse event reports to VAERS.
METHODS. The VAERS public-use data files were downloaded in July 2004 and translated into identical SAS data sets for analysis. Cases that were related to litigation were identified using a word search algorithm. All cases for the most frequently reported symptoms in litigation (overdose, neuropathy, autism, “mental retardation,” arthralgia, and “speech disorder”) were reviewed.
RESULTS. In recent years, most case reports to VAERS that were related to overdose, neuropathy, and thimerosal were related to litigation. Many cases that were related to autism and mental retardation were as well.
CONCLUSIONS. This review shows a previously undisclosed rise in the number of reports to the VAERS related to pending litigation for vaccine injury. The implications of this for understanding longitudinal reporting patterns are discussed.
Risk of Intracranial Pathologic Conditions Requiring Emergency Intervention After a First Complex Febrile Seizure Episode Among Children
Authors: Teng David , Dayan Peter , Tyler Sarah , Hauser W. Allen , Chan Stephen , Leary Linda , Hesdorffer Dale 
Published: February 2006

OBJECTIVE. To determine the likelihood of intracranial pathologic conditions requiring emergency neurosurgical or medical intervention among children without meningitis who presented to the pediatric emergency department after a first complex febrile seizure.METHODS. We performed a retrospective review of prospectively collected data for children in neurologically normal condition who presented to a single pediatric emergency department after a first complex febrile seizure (focal, multiple, or prolonged). The complex febrile seizure classification was determined independently by 2 epileptologists. The presence of intracranial pathologic conditions was determined through review of neuroimaging results, telephone interviews, or medical record review.RESULTS. Data for 71 children with first complex febrile seizures were analyzed. Fifty-one (72%) had a single complex feature (20 focal, 22 multiple, and 9 prolonged), and 20 (28%) had multiple complex features. None of the 71 patients (1-sided 95% confidence interval: 4%) had intracranial pathologic conditions that required emergency neurosurgical or medical intervention.CONCLUSIONS. For children with first complex febrile seizures, the risk of intracranial pathologic conditions that require emergency neurosurgical or medical intervention is low, which suggests that routine emergency neuroimaging for this population is unnecessary.
The Pediatrician and Disaster Preparedness
Authors:   Committee on Pediatric Emergency Medicine,   Committee on Medical Liability,   and the Task Force on Terrorism
Published: February 2006

Recent natural disasters and events of terrorism and war have heightened society's recognition of the need for emergency preparedness. In addition to the unique pediatric issues involved in general emergency preparedness, several additional issues related to terrorism preparedness must be considered, including the unique vulnerabilities of children to various agents as well as the limited availability of age- and weight-appropriate antidotes and treatments. Although children may respond more rapidly to therapeutic intervention, they are at the same time more susceptible to various agents and conditions and more likely to deteriorate if not monitored carefully.The challenge of dealing with the threat of terrorism, natural disasters, and public health emergencies in the United States is daunting not only for disaster planners but also for our medical system and health professionals of all types, including pediatricians. As part of the network of health responders, pediatricians need to be able to answer concerns of patients and families, recognize signs of possible exposure to a weapon of terror, understand first-line response to such attacks, and sufficiently participate in disaster planning to ensure that the unique needs of children are addressed satisfactorily in the overall process. Pediatricians play a central role in disaster and terrorism preparedness with families, children, and their communities. This applies not only to the general pediatrician but also to the pediatric medical subspecialist and pediatric surgical specialist. Families view pediatricians as their expert resource, and most of them expect the pediatrician to be knowledgeable in areas of concern. Providing expert guidance entails educating families in anticipation of events and responding to questions during and after actual events. It is essential that pediatricians educate themselves regarding these issues of emergency preparedness.For pediatricians, some information is currently available on virtually all of these issues in recently produced printed materials, at special conferences, in broadcasts of various types, and on the Internet. However, selecting appropriate, accurate sources of information and determining how much information is sufficient remain difficult challenges. Similarly, guidance is needed with respect to developing relevant curricula for medical students and postdoctoral clinical trainees.
Challenges to Research in Urban Community Health Centers
Authors: Lemon Stephenie C. , Zapka Jane G. , Estabrook Barbara , Benjamin Evan 
Published: February 2006

Community health centers (CHCs) are important settings for research aimed at reducing health disparities. However, CHCs pose many challenges to research at patient, provider, and system levels. We summarized lessons learned from a multimethod, formative study to develop intervention strategies for improving colorectal cancer screening in CHCs, and make recommendations for future research. The call for research in “real world” settings such as CHCs must be matched with greater understanding of the challenges, as well as the resources to meet those challenges.
Understanding Diabetes Population Dynamics Through Simulation Modeling and Experimentation
Authors: Jones Andrew P. , Homer Jack B. , Murphy Dara L. , Essien Joyce D. K. , Milstein Bobby , Seville Donald A. 
Published: February 2006

Health planners in the Division of Diabetes Translation and others from the National Center for Chronic Disease Prevention and Health Promotion of the Centers for Disease Control and Prevention used system dynamics simulation modeling to gain a better understanding of diabetes population dynamics and to explore implications for public health strategy. A model was developed to explain the growth of diabetes since 1980 and portray possible futures through 2050. The model simulations suggest characteristic dynamics of the diabetes population, including unintended increases in diabetes prevalence due to diabetes control, the inability of diabetes control efforts alone to reduce diabetes-related deaths in the long term, and significant delays between primary prevention efforts and downstream improvements in diabetes outcomes.
Policy and Programmatic Importance of Spatial Alignment of Data Sources
Authors: Ong Paul , Graham Matthew , Houston Douglas 
Published: February 2006

Geographic information systems have proven instrumental in assessing environmental impacts on individual and community health, but numerous methodological challenges are associated with analyses of highly localized phenomena in which spatially misaligned data are used. In a case study based on child care facility and traffic data for the Los Angeles metropolitan area, we assessed the extent of facility misclassification with spatially unreconciled data from 3 different governmental agencies in an attempt to identify child care centers in which young children are at risk from high concentrations of toxic vehicle-exhaust pollutants. Relative to geographically corrected data, unreconciled information produced a modest bias in terms of aggregated number of facilities at risk and a substantial number of false positives and negatives.
Modeling hydrogen separation in high temperature silica membrane systems
Authors: Duke M. C. , Diniz da Costa J. C. , Lu G. Q. , Gray P. G. 
Published: February 2006

AbstractIn this work, a working model is proposed of molecular sieve silica (MSS) multistage membrane systems for CO cleanup at high temperatures (up to 500°C) in a simulated fuel cell fuel processing system. Gases are described as having little interactions with each other relative to the pore walls due to low isosteric heat of adsorption on silica surfaces and high temperatures. The Arrhenius function for activated transport of pure gases was used to predict mixture concentration in the permeate and retentate streams. Simulation predicted CO could be reduced to levels below the required 50 ppmv for polymer electrolyte membrane fuel cell anodes at a stage H2/CO selectivity of higher than 40 in 4 series membrane units. Experimental validation showed predicting mixture concentrations required only pure gas permeation data. This model has significant application for setting industrial “stretch targets” and as a robust basis for complex membrane model configurations. © 2006 American Institute of Chemical Engineers AIChE J, 2006