bluuebunny/crossref_metadata_2025_split huggingface dataset:
Estimating the Cost of the Medicare Pharmacist Services Coverage Act of 2001
Authors: Poole Virginia H. , Moran Donald W. , Webb C. Edwin 
Published: May 2004

Background. In recent years considerable attention has focused on pharmacists' professional evolution toward patient care‐oriented practice. The Pharmacist Provider Coalition (PPC), established in 2000, seeks recognition and payment for pharmacists' patient care services. Concerted effort by the PPC on this issue resulted in the introduction of the Medicare Pharmacist Services Coverage Act of 2001, which would have amended Title XVIII of the Social Security Act to create new types of covered services under Medicare and recognize pharmacist practitioners as providers. However, the legislation was not passed by the 107th Congress.Study Objectives. The PPC engaged The Moran Company to measure the potential net cost to the United States government of the Medicare Pharmacist Services Coverage Act of 2001, and to perform this measurement in a manner that is consistent with the cost‐projection methods used by the Congressional Budget Office (CBO).Design. The model is anchored to the 10‐year projection of revenues and spending within the federal government developed annually by the CBO. It examines the anticipated magnitude and cost of patient care services with respect to chronic disease and pharmaceutical therapy management, in both facility and nonfacility settings.Results. The methodology yields a final cost estimate of $427 million in 2004, the first year of implementation, and a 10‐year estimate of $13 billion.Conclusions. Recognition of pharmacists as providers of selected drug therapy management services under Medicare will have a considerable financial impact. It is instructive, however, to view the 10‐year cost estimate of $13 billion for pharmaceutical therapy management in light of the CBO's projected $1.5 trillion estimate, over the same time frame, for drug spending among the Medicare population.
Effects of Amphotericin B and Caspofungin on Histamine Expression
Authors: Cleary John D. , Schwartz Michael , Rogers P. David , de Mestral Jacqueline , Chapman Stanley W. 
Published: May 2004

Study Objective. To determine the effects of amphotericin B deoxycholate and caspofungin on the release of histamine from human peripheral blood cells, mononuclear cells, and mast cells.Design. In vitro cell culture experiments.Setting. University medical center.Material. Cultured human mononuclear (THP‐1) and mast (HMC‐1) cells from five healthy volunteers.Measurements and Main Results. The cultured cells were incubated with increasing concentrations of amphotericin B deoxycholate, diphen‐hydramine, amphotericin B deoxycholate plus diphenhydramine, caspofungin, caspofungin plus diphenhydramine, and the calcium ionophore A23187 for up to 24 hours. Histamine concentrations and histamine N‐methyltransferase activity were determined at various time points throughout exposure. Cell viability was assessed by exclusion of erythrocin B. The A23187 increased histamine concentrations from baseline in peripheral blood and HMC‐1 cells. No change in histamine concentrations was observed in response to amphotericin B deoxycholate, whereas caspofungin induced a significant increase in histamine release in peripheral blood cells and HMC‐1 cells. No change in histamine concentrations was observed in THP‐1 cells in response to any pharmacologic agent tested. Similarly, histamine N‐methyltransferase activity in peripheral blood was not affected by amphotericin B deoxycholate, but was significantly decreased by caspofungin.Conclusion. Amphotericin B deoxycholate does not affect histamine concentrations or histamine N‐methyltransferase activity in whole blood or HMC‐1 cells, suggesting that the amphotericin B‐induced infusion‐related reaction is not a histamine‐mediated event. Conversely, caspofungin increased histamine concentrations in whole blood and HMC‐1 cells and inhibited histamine N‐methyltransferase activity. These data suggest that infusion‐related reactions associated with caspofungin may be mediated by histamine release secondary to caspofungin.
Effects of Grapefruit Juice on Intestinal P‐glycoprotein: Evaluation Using Digoxin in Humans
Authors: Parker Robert B. , Yates C. Ryan , Soberman Judith E. , Laizure S. Casey 
Published: May 2004

Study Objectives. To determine the effects of grapefruit juice on the pharmacokinetics of oral digoxin, a P‐glycoprotein substrate not metabolized by cytochrome P450 3A4, in healthy volunteers, and to assess whether polymorphic multidrug‐resistance‐1 (MDR1) expression contributes to interindividual variability in digoxin disposition.Design. Prospective, open‐label, unblinded, crossover study.Setting. University research center.Subjects. Seven healthy adult volunteers (four men, three women).Intervention. Each subject received a single oral dose of digoxin 1.0 mg with water or grapefruit juice with at least a 2‐week washout between treatments. During the grapefruit juice phase, juice was administered 3 times/day for 5 days before digoxin administration to maximize any effect on P‐glycoprotein.Measurements and Main Results. Digoxin pharmacokinetics in the presence and absence of grapefruit juice were compared. The MDR1 exon 26 C3435T genotype was determined by real‐time polymerase chain reaction. Compared with water, grapefruit juice significantly reduced the digoxin absorption rate constant (3.0 ± 2.4 to 1.2 ± 1.0 hr−1, p<0.05) and increased absorption lag time (0.32 ± 0.12 to 0.53 ± 0.34 hr, p<0.05). Grapefruit juice did not affect digoxin maximum concentration (Cmax), area under the curve (AUC), elimination half‐life, or renal clearance. The effect of grapefruit juice on digoxin Cmax (‐45% to +41%) and AUC0–4 (‐29% to +25%) varied substantially among subjects and was inversely correlated with the values during the water phase. Trends toward higher digoxin Cmax, AUC, and absorption rate constant during the water phase were found in CC homozygotes compared with subjects carrying a T allele.Conclusion. Inhibition of intestinal P‐glycoprotein does not appear to play an important role in drug interactions involving grapefruit juice. Interindividual variability in response to grapefruit juice may be related to the balance of intestinal drug uptake and efflux transport.
Generalized Gradient Approximation Functionals
Authors: Handy Nicholas C 
Published: May 2004

Abstract
The principle purpose is to explain why density functional theory within the generalized gradient approximation is such a valuable computational tool. The topic is introduced in a straightforward manner, through the Wilson understanding and the contribution of Kohn and Sham. We concentrate on the exchange‐correlation functionals. The importance of the uniform electron gas is stressed, in particular that its exchange hole is always localized.
Exchange functionals are best determined to give Kohn–Sham energies, which are close to the Hartree–Fock energies of atoms, because it is argued that all correlation within atoms is short range or dynamic. The famous Becke functional was determined this way. Likewise, correlation functionals may be determined from the correlation properties of atoms, such as that known as Lee, Yang, and Parr (LYP). Alternatively, exchange‐correlation functionals may be determined mathematically from the properties of the perturbed electron gas, following Perdew. All these functionals are parameter‐free, as far as molecules are concerned. This is a great advantage.

It is argued that such exchange functionals introduce left–right correlation within molecules. This is explained through a study of the exchange hole of

$\hbox{H}_{2}$

at infinite separation, looking at both the Hartree–Fock wave function and the exact wave function, for which the hole is delocalized/localized respectively. This approach to density functional theory introduces a clear separation of left–right and dynamic correlation, which is impossible in quantum chemistry. The remarkable success of the theory is demonstrated with a table of computed binding energies of small molecules.

It is explained why the HOMO eigenvalues of these Kohn–Sham calculations must be close to electronegativities; they will not be approximations to the negative of the ionization potential. There is no error; it all follows from the quantum‐mechanical integer discontinuity. The asymptotic value of the exchange‐correlation potential is nonzero.
Other generalized gradient approximation functionals are more briefly discussed. Hybrid functionals and meta functionals are outside the scope of this review, principally because they do not give local exchange‐correlation potentials.
MSINDO
Authors: Bredow Thomas , Jug Karl 
Published: May 2004

Abstract
The recently developed semiempirical molecular orbital method MSINDO is described. The parametrization for first‐, second‐, and third‐row elements is presented. There is an option for the inclusion of higher multipole terms. Two new features of the program are the cyclic cluster model and molecular dynamics simulations. Relevant applications include structures and growth of silsesquioxanes, simulation of solids and surfaces of ionic compounds, and adsorption and reactions on such surfaces.
Diet, foraging, and use of space in wild golden‐headed lion tamarins
Authors: Raboy Becky E. , Dietz James M. 
Published: May 2004

AbstractLion tamarins (Callitrichidae: Leontopithecus) are small frugi‐faunivores that defend large home ranges. We describe results from the first long‐term investigation of wild golden‐headed lion tamarins (L. chrysomelas; GHLTs). We present data about activity budgets, daily activity cycles, diet, daily path length, home range size, home range overlap, and territorial encounters for three groups of GHLTs that were studied for 1.5–2.5 years in Una Biological Reserve, Bahia State, Brazil, an area characterized by aseasonal rainfall. We compare our results to those from other studies of lion tamarins to identify factors that may influence foraging and ranging patterns in this genus. Ripe fruit, nectar, insects, and small vertebrates were the primary components of the GHLT diet, and gums were rarely eaten. Fruit comprised the majority of plant feeding bouts, and the GHLTs ate at least 79 different species of plants from 32 families. The most common foraging sites for animal prey were epiphytic bromeliads. The GHLTs defended large home ranges averaging 123 ha, but showed strong affinities for core areas, spending 50% of their time in approximately 11% of their home range. Encounters with neighboring groups averaged two encounters every 9 days, and they were always aggressive. Data about time budgets and daily activity cycles reveal that the GHLTs spent most of their time foraging for resources or traveling between foraging sites distributed throughout their home ranges. The GHLTs spent much less time consuming exudates compared to lion tamarins in more seasonal environments. Additionally, the GHLTs had much larger home ranges than golden lion tamarins (L. rosalia), and did not engage in territorial encounters as frequently as L. rosalia. GHLT ranging patterns appear to be strongly influenced by resource acquisition and, to a lesser extent, by resource defense. Am. J. Primatol. 63:1‐15, 2004. © 2004 Wiley‐Liss, Inc.
Ovarian cycle phase and same‐sex mating behavior in Japanese macaque females
Authors: O'Neill Ann C. , Fedigan Linda M. , Ziegler Toni E. 
Published: May 2004

AbstractThe relationship of the ovarian cycle phase to same‐sex mounting activity in adult female Japanese macaques (Macaca fuscata) was studied during the 1997/1998 mating season. Fecal samples were collected from eight female subjects two to three times per week and analyzed by enzyme immunoassay for fecal hormone levels. Hormone profiles of estrone (E1) and pregnanediol (PdG) were used to separate ovarian cycles into three phases: follicular, periovulatory, and luteal. Patterns of same‐sex and heterosexual mounting behavior in the females were analyzed for phase variation during conceptive cycles. Same‐sex mounting among female Japanese macaques occurred most frequently during the follicular and periovulatory phases of the cycle, and not at all during the luteal phase, paralleling the pattern found in heterosexual mounting behavior. These findings suggest a link between hormonal fluctuations and patterns of sexual mounting, regardless of whether the partner is of the same or opposite sex. Am. J. Primatol. 63:25–31, 2004. © 2004 Wiley‐Liss, Inc.
Mechanism of Reppe's Nickel‐Catalyzed Ethyne Tetramerization to Cyclooctatetraene: A DFT Study
Authors: Straub Bernd F. , Gollub Caroline 
Published: May 2004

AbstractIn this B3 LYP model study, homoleptic nickel(0) ethyne complexes have been predicted as the catalyst resting state for the title reaction. Ethyne ligand coupling of Ni(C2H2)3 yields monoethyne nickelacyclopentadiene in the rate‐determining step. Ethyne coordination is followed by insertion of an ethyne ligand into the NiC σ bond. A highly strained monoethyne trans‐nickelacycloheptatriene is formed. This trans intermediate is unable to reductively eliminate benzene without prior isomerization to a cis‐structure. Instead, it rapidly collapses to a nickelacyclononatetraene. Ethyne coordination induces reductive elimination to the cyclooctatetraene complex Ni(η2‐C2H2)(η2‐C8H8), followed by facile ligand exchange. Other ethyne coupling pathways have been computed to be less favored. The cyclooctatetraene ligand binds significantly weaker to nickel(0) than ethyne, both for mononuclear, and for dinuclear species. For this reason, CC bond formation steps at Ni2(μ‐cot) fragments have been predicted to feature prohibitively high overall reaction barriers.
Human immunodeficiency virus–related primary central nervous system lymphoma
Authors: Newell Mark E. , Hoy Jennifer F. , Cooper Stephen G. , DeGraaff Bernadette , Grulich Andrew E. , Bryant Melissa , Millar Jeremy L. , Brew Bruce J. , Quinn David I. 
Published: May 2004

AbstractBACKGROUNDThe current study evaluated factors influencing survival in patients diagnosed with human immunodeficiency virus (HIV)‐related primary central nervous system lymphoma (PCNSL), with a focus on the effects of therapeutic radiotherapy (RT) and highly active antiretroviral therapy (HAART).METHODSA retrospective chart review of patients with a diagnosis of HIV‐related PCNSL at one of five university hospitals between 1987 and 1998 was performed. Clinical details including antiretroviral agent use, brain imaging scan results, RT use, and survival outcomes were recorded.RESULTSOne hundred eleven patients with HIV‐related PCNSL were identified. The annual incidence decreased significantly between 1992 and 1995 and between 1996 and 1998 (P= 0.04). The median survival period was 50 days (mean, 109 days; range, 4–991 days), with improved survival for patients diagnosed after 1993. Patients treated with two or more antiretroviral agents had improved survival (P= 0.01), as did patients who received RT (P< 0.0001). For patients who received RT, completion of the prescribed course and treatment to ≥ 30 Gray (Gy) independently predicted a more favorable outcome. RT used in conjunction with antiretroviral therapy involving two or more agents had an additive positive effect on survival. For patients who did not receive RT, poor performance status and encephalopathy predicted a shorter survival duration.CONCLUSIONSThe results of the current study suggest that HAART and treatment with RT to ≥ 30 Gy improve survival for patients with HIV‐related PCNSL. This combination of therapies may provide a standard of care as the basis for further trials of chemotherapy, novel adjunctive treatment, and quality of life assessment. Cancer 2004. © 2004 American Cancer Society.
Dynamic stability of thin‐walled column under periodic excitation
Authors: Wang Quanfeng , Luo Yi 
Published: May 2004

AbstractThe dynamic stability of variable stiffness thin‐walled column subjected to periodically alternating axial force is analysed in this paper. Here, the variable stiffness means that it changes with periodically alternating axial force as for non‐linear geometry stiffness matrix of thin‐walled column. Damping is not considered at present. A system of second‐order differential equations with period coefficients of the Mathieu type describes the dynamic stability of thin‐walled columns without damping. To solve the problem the finite element method is applied which can greatly reduce the process of simplification. By using MATLAB package, a computer program is developed to calculate the region of dynamic instability without damping corresponding to bending vibration, torsion and warping coupling vibration. The results prove to be more efficient and credible, compared with other calculation methods. Copyright © 2004 John Wiley & Sons, Ltd.
Hydrodynamic limits with shock waves of the Boltzmann equation
Authors: Yu Shi‐Hsien 
Published: May 2004

AbstractWe show that piecewise smooth solutions with shocks of the Euler equations in gas dynamics can be obtained as the zero Knudsen number limit of solutions of the Boltzmann equation for hard sphere collision model. The construction of the Boltzmann solutions is done in two steps. First we introduce a generalized Hilbert expansion with shock layer correction to construct approximations to the solutions of the Boltzmann equations with small Knudsen numbers. We then apply the recently developed macro‐micro decomposition and energy method for Boltzmann shock layers to construct the exact Boltzmann solutions through the stability analysis. © 2004 Wiley Periodicals, Inc.
Effects of Ion‐Carrier Substituents on the Potentiometric‐Response Characteristics in Anion‐Selective Membrane Electrodes Based on Iron Porphyrins
Authors: Shahrokhian Saeed , Seifi Hassan , Bagherzadeh Mojtaba , Mousavi S. Reza 
Published: May 2004

AbstractThe potentiometric response characteristics with respect to salicylate anion of several membrane electrodes based on iron(III) tetraphenylporphyrin chloride (FeTPPCl) and derivatives with electrophilic and nucleophilic substituents, incorporated into plasticized polyvinylchloride (PVC) membranes were investigated. Complexes tetraphenyl porphyrin iron(III) chloride (FeTPPCl; A), tetrakis (4‐methoxyphenyl) porphyrin iron(III) chloride (Fe(TOCH3PP)Cl; B), tetrakis (2,6‐dichlorophenyl) porphyrin iron(III) chloride (Fe(TDClPP)Cl; C), tetrakis (4‐nitrophenyl) porphyrin iron(III) chloride (Fe(TNO2PP)Cl; D), and tetrakis (pentafluorophenyl) porphyrin iron(III) chloride (Fe(TPFPP)Cl; E) were used as anion carriers in the membrane electrodes. The sensitivity, working range, detection limit, response mechanism, and selectivity of the membrane sensor toward interference shows a considerable dependence on the type of carrier substituent and the pH value of the sample solution. Potentiometric investigations in solutions of various pH show that the carrier complex containing fluoro substituents (E), which have very strong electron‐accepting properties and a high ability to form hydrogen bonds, is capable of serving as a positively charged ionophore. Some other ionophores are capable of serving as both charged and neutral carriers under different conditions. The electrodes prepared in this work show super‐Nernstian slopes with respect to salicylate concentration, which tend to a Nernstian response (slope near to −59 mV decade−1) upon an increase of the pH of the test solution. The results of UV/Vis absorption spectroscopy are used for interpretation of the formation of an oxene complex between salicylate and iron porphyrins.
Abrasively Immobilised Multiwalled Carbon Nanotube Agglomerates: A Novel Electrode Material Approach for the Analytical Sensing of pH
Authors: Wildgoose Gregory G. , Leventis Henry C. , Streeter Ian , Lawrence Nathan S. , Wilkins Shelley J. , Jiang Li , Jones Timothy G. J. , Compton Richard G. 
Published: May 2004

AbstractWe demonstrate for the first time that agglomerates of multiwalled carbon nanotubes (MWCNTs) can be formed in which the binder in the agglomerate is itself a redox‐active molecular solid. Two separate agglomerates were formed by dissolving 9,10‐phenanthraquinone (PAQ) or 1,2‐napthaquinone (NQ) in acetone together with MWCNTs and adding an excess of aqueous solution to cause precipitation of agglomerates, approximately 10 µ;m in dimension, which consist of bundles of nanotubes running into and throughout the amorphous molecular solid that binds the agglomerate together. The nature of this structure, when immobilised on a substrate electrode and in contact with aqueous electrolyte solutions, gives rise to many three‐phase boundaries, electrolyte|agglomerate|conductor, which is advantageous to the solid‐state analytical electrochemistry of such a material as it imparts a larger electroactive surface area than other modified carbon electrodes.The two agglomerates each gave a voltammetrically measurable response to changes in pH; when abrasively immobilised on a basal plane pyrolitic graphite electrode a plot of peak potential against pH produced a linear response for both MWCNT–PAQ and MWCNT–NQ agglomerates over the pH range pH 1–12 and over the temperature range 20–70 °C.
Molecular Beams and Model Catalysis: Activity and Selectivity of Specific Reaction Centers on Supported Nanoparticles
Authors: Libuda Jörg 
Published: May 2004

AbstractReaction kinetics on nanometer‐scale particles are different from those on extended surfaces of bulk materials. This fact has been utilized for a long time to empirically maximize the performance of heterogeneous catalysts, but the understanding of the underlying effects is poor at the microscopic level. Modern molecular‐beam‐based methods, however, allow us to derive very detailed kinetic information on catalytically active surfaces. In combination with structurally highly controlled model catalysts, microscopic insights into the activity and selectivity of specific reaction centers on catalyst nanoparticles can be obtained. This combined approach is illustrated through simple model reactions.
Determination of nitrate and nitrite in rat brain perfusates by capillary electrophoresis
Authors: Gao Leyi , Barber‐Singh Jennifer , Kottegoda Sumith , Wirtshafter David , Shippy Scott A. 
Published: May 2004

AbstractA fast and simple method for the direct, simultaneous detection of nitrite (NO2−) and nitrate (NO3−) in rat striatum has been developed using a capillary electrophoresis separation of low‐flow push‐pull perfusion samples. The method was optimized primarily for nitrite because nitrite is more important physiologically and is found at lower levels than nitrate. We obtained a complete separation of NO2− and NO3− in rat striatum within 1.5 min. Optimal CE separations were achieved with 20 mM phosphate, 2 mM cetyltrimethylammonium chloride (CTAC) buffer at pH 3.5. The samples were injected electrokinetically for 2 s into a 40 cm×75 μm ID fused‐silica capillary. The separation voltage was 10 kV (negative polarity), and the injection voltage was 16 kV (negative polarity). UV detection was performed at 214 nm. The limits of detection obtained at a signal‐to‐noise ratio (S/N) of 3 for nitrite and nitrate were 0.96 and 2.86 μM. This is one of the fastest separations of nitrite and nitrate of a biological sample ever reported. Interference produced by the high physiological level of chloride is successfully minimized by use of CTAC in the run buffer.