bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Critical Assessment of Extemporaneous Formulations for Proton Pump Inhibitors: The Importance of Proper Vehicle Selection
Authors: Rahić Ognjenka , Hadžiabdić Jasmina , Tucak Amina , Sirbubalo Merima , Hindija Lamija , Elezović Alisa , Vranić Edina 
Published: September 2022

OBJECTIVE
To examine the influence of vehicles on the stability of extemporaneous suspensions of proton pump inhibitors (PPIs), to single out the formulation most suitable for children, providing appropriate evidence and arguments.

METHODS
A review was performed of data identified from Medline, Embase, Science Direct, as well as public digital archive PubMed, including reference texts, related to the field of stability testing of extemporaneous PPI suspensions.

RESULTS
Fourteen selected formulations of extemporaneous suspensions are presented and discussed. Depending on the vehicle and its composition, which was analyzed and explained in detail, the suspensions had various beyond-use dates (BUDs).

CONCLUSIONS
Selected vehicles and the process of preparation had great influence on the stability of extemporaneous PPI suspensions. The suspension with the longest BUD has been singled out, which is especially suitable for use in newborns. Because an explanation is provided for the influence of individual vehicle components on the stability of the mentioned suspensions, this can aid not only in the selection of an adequate formulation, but also in the development of new ones, which will be suited to individual patients.
Pediatric Practitioner Knowledge of Arsenic in Baby Food
Authors: Palmer Maria J. G. , Parbuoni Kristine A. , Morgan Jill A. 
Published: September 2022

OBJECTIVE
Rice, one of the first solid foods introduced to infants, is 10 times more absorbent of inorganic arsenic than any other grain. An evaluation has not been performed about practitioner knowledge of arsenic content in infant foods. The purpose of this survey was to determine pediatric practitioners' knowledge of current US Food and Drug Administration (FDA) recommendations to limit exposure to arsenic-containing foods in infants.

METHODS
This was a convenience sample of pediatric practitioners conducted as an online survey. The survey contained 19 questions related to knowledge of arsenic-containing foods, FDA recommendations, practitioner recommendations on feeding infants, and demographic information. Participants were recruited using organization list servs. Participants were reminded to complete the survey 2 months after the initial email. An infographic on arsenic was provided at the end of the survey.

RESULTS
One hundred thirty-seven individuals completed the survey. The majority of respondents were physicians or pharmacists and have been in practice less than 6 years. Nine percent of respondents (11/123) stated the FDA arsenic limit of 100 ppb. Sixteen percent (20/123) identified white rice as having a lower inorganic arsenic content than brown rice and 27% (36/132) identified that there is no difference in inorganic arsenic content between organic infant rice cereal and conventional infant rice cereal.

CONCLUSIONS
The vast majority of participants were not aware of the FDA's proposed limit on arsenic consumption or the concern of heavy metals in baby foods. More education is needed to increase knowledge regarding arsenic in baby foods.
Extended Infusion β-Lactams for the Treatment of Gram-Negative Bacteremia in Children
Authors: Zembles Tracy N. , Kuhn Evelyn M. , Thompson Nathan E. , Mitchell Michelle L. 
Published: September 2022

OBJECTIVE
The pharmacokinetics of β-lactam antibiotics favor administration via an extended infusion. Although literature to support extended infusion β-lactams exists for adults, few data are available in pediatrics, especially among patients with bacteremia. The purpose of this study was to compare clinical outcomes between extended and standard infusions in children with Gram-negative bacteremia.

METHODS
This retrospective chart analysis included hospitalized patients ages 0 to 18 years who received at least 72 hours of cefepime, meropenem, or piperacillin-tazobactam between January 1, 2013 and July 30, 2021. Clinical outcomes included duration of antibiotic therapy, hospital length of stay, readmission within 30 days, all-cause mortality, time to blood culture clearance, and time to normalization of inflammatory markers.

RESULTS
A total of 124 patients (51 extended infusion, 73 standard infusion) met criteria for evaluation. Duration of antibiotic therapy was shorter in the extended infusion group (6.6 days versus 10.2 days; p = 0.01). There were no differences in hospital length of stay, readmission rates, all-cause mortality, time to normalization of inflammatory markers, or time to blood culture clearance.

CONCLUSIONS
Use of extended infusion β-lactam antibiotics in children with Gram-negative bacteremia was associated with shorter durations of therapy and should be the preferred method of administration when feasible.
Validation of a Metabolic Network forSaccharomyces cerevisiaeUsing Mixed Substrate Studies
Authors: Vanrolleghem Peter A. , de Jong‐Gubbels Patricia , van Gulik Walter M. , Pronk Jack T. , van Dijken Johannes P. , Heijnen Sef 
Published: July 2002

AbstractSetting up a metabolic network model for respiratory growth ofSaccharomyces cerevisiaerequires the estimation of only two (energetic) stoichiometric parameters: (1) the operationalPOratio and (2) a growth‐related maintenance factork. It is shown, both theoretically and practically, how chemostat cultivations with different mixtures of two substrates allow unique values to be given to these unknowns of the proposed metabolic model. For the yeast and model considered, an effectivePOratio of 1.09 mol of ATP/mol of O (95% confidence interval 1.07−1.11) and akfactor of 0.415 mol of ATP/C‐mol of biomass (0.385−0.445) were obtained from biomass substrate yield data on glucose/ethanol mixtures. Symbolic manipulation software proved very valuable in this study as it supported the proof of theoretical identifiability and significantly reduced the necessary computations for parameter estimation. In the transition from 100% glucose to 100% ethanol in the feed, four metabolic regimes occur. Switching between these regimes is determined by cessation of an irreversible reaction and initiation of an alternative reaction. Metabolic network predictions of these metabolic switches compared well with activity measurements of key enzymes. As a second validation of the network, the biomass yield ofS. cerevisiaeon acetate was also compared to the network prediction. An excellent agreement was found for a network in which acetate transport was modeled with a proton symport, while passive diffusion of acetate gave significantly higher yield predictions.
Peptide Stability in Solids and Solutions
Authors: Bell Leonard N. 
Published: July 2002

AbstractA discussion of the factors influencing peptide stability illustrates the challenges of formulation and shelf‐life prediction which face biotechnologists. The activation energies of peptide degradation vary with pH and moisture content. Peptide degradation rates are influenced by both buffer type and concentration. Lyophilization results in an increase in buffer concentration which also enhances peptide degradation in low‐moisture solids. Small peptides have degradation rates that depend upon water activity rather than upon mobility limitations associated with the state of the system. The pH−rate profiles for peptide degradation in solution and solids are quite different. Dehydration and partial rehydration change the pH of reduced‐moisture solids, which change both the rates and mechanisms of degradation. The properties of the peptide and the system as well as potential interactions between the two need to be identified to maximize peptide stability. In addition, solution data cannot be used to predict the shelf life of reduced‐moisture solids.
The score for allergic rhinitis (SFAR): a simple and valid assessment method in population studies
Authors: Annesi‐Maesano I. , Didier A. , Klossek M. , Chanal I. , Moreau D. , Bousquet J. 
Published: July 2002

Background: No validated assessment of allergic rhinitis (AR) is presently available that can be used in population studies in the absence of medical diagnosis and of objective measurements of allergy. To compensate for this lack, a quantitative Score For Allergic Rhinitis (SFAR) ranging between 0 and 16 has been developed by experts. Methods: The SFAR, encompassing eight features of AR, was validated in three different ways: 1) among 269 outpatients taking the specialist's diagnosis of AR and skin prick tests (SPT) positivity as a gold standard (diagnosis validation); 2) using psychometric methods (internal validation); and 3) in a random population‐based sample of 3001 individuals by telephone interview (population acceptability). Results: A SFAR value ≥ 7 allowed satisfactory discrimination between the outpatients with AR from those without (sensitivity = 74% [95% confidence interval CI: 0.69,0.79], specificity = 83% [0.79, 0.87], positive predictive value = 84% [0.80, 0.88], negative predictive value = 74% [0.69, 0.79] and Youden's index = 0.57, respectively). Internal consistency of the score was also high (among others, Cronbach's alpha coefficient = 0.79). On average, it took only 3 min for the individuals interviewed on the phone to complete the questionnaire, the questions of which were well understood. Among these subjects, the prevalence of AR was 21% [95% CI: 19.5%, 22.5%], which is comparable to other determinations in France. Conclusions: The newly a priori proposed Score For Allergic Rhinitis (SFAR) is easy to use and can be useful to estimate prevalence and to study causation of AR in population settings.
Quaternary beetles: A review and issues for Australian studies
Authors: Porch Nick , Elias Scott 
Published: July 2002

AbstractFew Australian entomologists, ecologists, biogeographers or Quaternary researchers are familiar with the details of Quaternary beetle research. Since the 1950s the study of fossil beetles has developed to become an important discipline of the Quaternary sciences. Unfortunately, however, the significance of the discipline for ecological and evolutionary research has been slow to penetrate mainstream entomological, ecological, and evolutionary thought. This paper outlines the history, methods and results of Quaternary beetle studies, based primarily upon research from the well‐studied Northern Hemisphere, and then examines issues relevant to Australian research. Analysis of Quaternary beetle assemblages from Australia can contribute to the reconstruction of past environments and climates, in particular quantitative estimation of past temperature regimes, and potentially, effective precipitation. Of more significance to entomology, however, is the potential to reconstruct climatically‐induced changes in distribution, essential for understanding the Quaternary biogeographic history of Australia's insect fauna. Furthermore, it will be possible to examine evidence, or the lack thereof, for speciation during the Quaternary, in the context of Quaternary environmental change.
The Relationship of Psychosocial Factors to Total Mortality Among Older Japanese‐American Men: The Honolulu Heart Program
Authors: Ceria Clementina D. , Masaki Kamal H. , Rodriguez Beatriz L. , Chen Randi , Yano Katsuhiko , Curb J. David 
Published: July 2002

OBJECTIVE:To examine the predictive value of psychosocial factors as risk factors for all‐cause mortality.DESIGN:A community‐based longitudinal cohort study: The Honolulu Heart Program.SETTING:Population‐based study conducted in Oahu, Hawaii.PARTICIPANTS:Three thousand four hundred and ninety‐seven men age 71 to 93 were examined and followed prospectively for all‐cause mortality for an average of 6 years.MEASUREMENTS:Psychosocial data were obtained using the Lubben Social Networks Scale (LSNS). The LSNS consists of 10 items—family relationships (three items), relationships with friends (three items), and interdependent social supports and living arrangements (four items). We divided the LSNS score into quartiles for comparison, with the first quartile representing the lowest social support and the fourth quartile representing the highest social support.RESULTS:A significant dose‐response relationship was noted with LSNS score and total mortality: 33.8% in the first quartile died over the follow‐up period, 23.4% in the second, 18% in the third, and 15.7% in the fourth (P< .001). Six‐year age‐adjusted mortality rates were 66.2, 45.7, 37.8, and 33.7 per 1,000 person years in the first, second, third, and fourth, respectively (P< .001). Using age‐adjusted Cox proportional hazards models, with the first quartile of LSNS as the reference group, relative risk for mortality was 0.69 (95% confidence interval (CI) = 0.58–0.82), 0.57 (95% CI = 0.47–0.70), and 0.52 (95% CI = 0.43–0.64) in the second, third, and fourth quartiles, respectively. Cox models were repeated, controlling for age and smoking status, and low LSNS scores remained significantly associated with higher mortality (P= .0001).CONCLUSIONS:Our findings suggest that social networks were significantly independently associated with 6‐year all‐cause mortality in this cohort of older Japanese‐American men. Social interventions in old age may reduce early mortality.J Am Geriatr Soc 49:725–731, 2001.
Bonding in d9 complexes derived from EPR: Application to CuCl2−4, CuBr2−4, and CdCl2:Cu2+
Authors: Aramburu J. A. , Moreno M. 
Published: July 2002

In this work are reported the theoretical expressions for the [g], hyperfine, and superhyperfine (shf) tensors of a d9 square-planar complex within a molecular orbital (MO) scheme. These expressions include contributions arising from crystal field and charge transfer excitations calculated up to third and second order perturbations, respectively. This makes the present framework more general than those previously used. Through those expressions we have derived from the experimental EPR and optical data the MO coefficients corresponding to the valence b1g(x2−y2), b2g(xy), and eg(xz,yz) levels and also the core polarization contribution K to the hyperfine tensor for the systems CuCl2−4, CuBr2−4, and CdCl2:Cu2+. The 3d charge obtained for CuCl2−4 is equal to 0.61, 0.83, and 0.85 for the antibonding 3b1g, 2b2g, and 2eg levels, respectively. These figures are much closer to the Xα results by Bencini and Gatteschi [J. Am. Chem. Soc. 105, 5535 (1983)] than to those by Desjardins et al. [J. Am. Chem. Soc. 105, 4590 (1983)]. The σ and π covalency for CuBr2−4 are both higher
than for CuCl2−4 in accord to the lower electronegativity for bromine. However, only for the antibonding 3b1g level of CuBr2−4 have we obtained an electronic charge lying mainly on ligands. The covalency of CdCl2:Cu2+ is smaller than that found for CuCl2−4, a fact associated to a higher metal–ligand distance for the former. Evidence of this statement are also given from the analysis of crystal-field spectra and isotropic shf constant. The values of K derived for CuCl2−4 (128.1×10−4 cm−1), CuBr2−4 (103.6×10−4 cm−1), and CdCl2:Cu2+ (123.9×10−4 cm−1) point out the dependence of K on the equatorial covalency but also on the existence of axial ligands. The [g] tensor of CuBr2−4 is dominated by the charge transfer contribution while the crystal field one is negative. Finally an analysis of the importance of each one of the involved contributions to the spin-Hamiltonian parameters is reported for the three systems, together with the results obtained through a full diagonalization within crystal field and charge transfer states.
Solvent dynamical effects in electron transfer: Numerical predictions of molecularity effects using the mean spherical approximation
Authors: McManis George E. , Weaver Michael J. 
Published: July 2002

The influence of solvent molecularity upon the adiabatic barrier-crossing frequency νn and barrier height ΔG*, for electron–exchange reactions involving only solvent reorganization is examined numerically on the basis of a mean spherical approximation (MSA) treatment of the reaction coordinate time-correlation function, Δ(t) [Refs. 3(c) and 7(c)] for Debye solvents. The calculated ΔG* values for a spatially isolated redox couple fall increasingly below the corresponding dielectric continuum quantity ΔG*con as the ratio of the solvent to reactant radii (rsol /rre ) increases. For the experimentally common circumstance (rsol /rre )≲2 and for zero and infinite-frequency dielectric constants ε0 and ε∞ over the ‘‘typical’’ ranges 20–100 and 1.75–2.5, respectively, the calculated ΔG* values are up to ∼30% below ΔG*con , the deviations tending to be larger for smaller ε0 and ε∞ values. Two kinetic models are utilized to extract νn values from Δ(t): Hynes’ approach derived from the generalized Langevin equation (GLE), and that based on the Smoluchowski diffusion equation. The νn values derived using both models decrease progressively below the corresponding dielectric continuum frequency factor νconn as (rsol /rre ) increases, the deviations between νn and νconn being greater for smaller ε∞ and/or larger ε0 . The magnitude of these deviations, however, is noticeably smaller for the Hynes GLE than the diffusion model. Thus for (rsol /rre )≲2 with the above dielectric parameters, νn is calculated to be up to ∼two and five fold smaller than νconn on the basis of the Hynes GLE and diffusion model, respectively. These differences can be understood in terms of the relative influences upon νn of the slower relaxation components arising from short-range solvation, responsible for the deviations from νconn , in comparison with the faster dynamics associated with more distant solvent
molecules. Slightly larger deviations from the continuum predictions are obtained using the GLE approach in the presence of barrier-top curvature. At least for (rsol/rre)&lt;2, the MSA-prescribed rate constants also do not deviate greatly from the corresponding continuum prediction, the corresponding decreases in νn and ΔG* being partly compensatory.
Electrochemical infrared spectroscopy of carbon monoxide on ordered rhodium (111): Comparisons with vibrational spectra on Pt(111) and in related surface–vacuum environments
Authors: Leung Lam-Wing H. , Chang Si-Chung , Weaver Michael J. 
Published: July 2002

Surface infrared spectra are reported for carbon monoxide adsorbed on a well-ordered Rh(111) crystal in 0.1 M HClO4 , and in neutral and alkaline electrolytes as a function of CO coverage θ as well as electrode potential. The results are compared in detail with corresponding vibrational spectra obtained recently for CO at the Pt(111)–aqueous interface, and on Rh(111) and Pt(111) in ultrahigh vacuum (uhv) in the absence and presence of coadsorbed water, in order to explore the possible influences of the aqueous electrochemical environment upon the CO surface coordination geometry. The potential-dependent surface infrared spectra for high CO coverages in 0.1 M HClO4 exhibited a major C–O stretching band (νCO ), due to terminal (i.e., linearly bound) CO at 2025–2042 cm−1 over the potential range −0.25 to 0.25 V vs SCE; a weaker νCO band, attributed to CO bound to twofold bridging sites, was observed at 1792–1815 cm−1 under these conditions. The latter form undergoes electro-oxidation preferentially, as deduced from spectral sequences obtained during slow voltammetric sweeps. At CO coverages close to saturation, θ≊0.75, the linear/bridged site occupancy ratio is estimated to be roughly 2. At lower CO coverages within the hydrogen adsorption region, a band at about 1870–1875 cm−1 appears at the expense of the terminal νCO feature. Corresponding spectra obtained in neutral 0.1 M NaClO4 and alkaline electrolytes also yielded similar terminal and
bridging νCO bands, downshifted in frequency from those in 0.1 M HClO4 to an extent (≲50 cm−1 ) commensurate with the more negative electrode potentials involved. Comparison of the electrochemical infrared spectra with vibrational spectra obtained for the analogous Rh(111)/CO system in uhv indicates that the presence of the aqueous environment yields only small (≲20 cm−1 ) downshifts in the νCO band frequencies. Essentially the same conclusion is obtained from a corresponding comparison between vibrational spectra obtained at the electrochemical and uhv Pt(111)/CO interfaces. Cognizance is taken in these analyses of the known (or anticipated) differences in the potentials of zero charge and work functions in the electrochemical and uhv environments, respectively. These findings are also compared with recent vibrational spectra obtained for CO coadsorbed with water on Rh(111) and Pt(111) in uhv at low temperatures.
Schrödinger equation in terms of linearly averaged position moments
Authors: Koga Toshikatsu 
Published: July 2002

Linearly averaged position moment (LAPM) [Rk11Rk22⋅⋅⋅ Rk3N3N] is defined as the linear (not quadratic)
average of the position moment operator Rk11Rk22⋅⋅⋅ Rk3N3N over the N-electron wave function Ψ({Rj}), where {Rj} are 3N Cartesian coordinates of electrons and {kj} are non-negative integers. When all the LAPM’s are well defined, it is shown that the Schrödinger equation is equivalent to a set of an infinite number of equations between LAPM’s involving the potential-energy operator. The kinetic energy operator does not appear. The spherical polar representation of the LAPM equation is also presented. Illustrations are given for simple one- and two-electron atoms, where the LAPM equation is applied to the determination of approximate wave functions and associated energies.
Infrared spectroscopy of carbo-ions. V. Classical vs nonclassical structure of protonated acetylene C2H+3
Authors: Crofton Mark W. , Jagod Mary-Frances , Rehfuss Brent D. , Oka Takeshi 
Published: July 2002

The problem of classical vs nonclassical structure of protonated acetylene (vinyl cation) C2H+3 has been studied using high resolution infrared spectroscopy. The spectrum has been observed in the 3.2 μm region in air-cooled and water-cooled plasmas using C2H2:H2:He mixtures and in liquid nitrogen-cooled plasmas using CH4:H2:He mixtures. The difference frequency spectrometer with the velocity modulation method has been used to conduct the Doppler-limited, high sensitivity spectroscopy.
The observed vibration–rotation pattern with the band origin at 3142.2 cm−1 has been identified as due to the antisymmetric CH stretching ν6 band of the C2H+3 ion with the nonclassical (bridged) structure. The observed spectral pattern was anomalous, but definitive assignments could be made for a part of the spectrum using the ground state combination differences which fit to the usual asymmetric rotor pattern. The discrimination between the classical and nonclassical structures is based on the observed spectral intensity pattern due to spin statistical weights. Agreement of vibrational band patterns and the rotational constants with ab initio values gives supporting evidence. The anomaly of the spectrum is at least partly ascribed to the small energy difference between the classical and nonclassical structures and possible rearrangement between them, the idea used by organic chemists over the years in wet chemistry. Systematic splittings with the intensity ratio of 2:1 have been noticed in some parts of the spectrum indicating that the protons tunnel between the apex and the two end equilibrium positions of the bridged structure. Using a simplified internal rotation model proposed by Hougen, the barrier height of the tunneling has been estimated. Chemical kinetics in plasmas related to C2H+3 is also discussed.
We conclude that (1) the nonclassical structure is lower in energy than the classical structure, and (2) the apex proton and the two end protons exchange their positions with a measurable time scale.