bluuebunny/crossref_metadata_2025_split huggingface dataset:
Studies on deprotection of cysteine and selenocysteine side‐chain protecting groups
Authors: Harris Katharine M. , Flemer Stevenson , Hondal Robert J. 
Published: October 2006

AbstractWe present here a simple method for deprotecting p‐methoxybenzyl groups and acetamidomethyl groups from the side‐chains of cysteine and selenocysteine. This method uses the highly elecrophilic, aromatic disulfides 2,2′‐dithiobis(5‐nitropyridine) (DTNP) and 2,2′‐dithiodipyridine (DTP) dissolved in TFA to effect removal of these heretofore difficult‐to‐remove protecting groups. The dissolution of these reagents in TFA, in fact, serves to ‘activate’ them for the deprotection reaction because protonation of the nitrogen atom of the pyridine ring makes the disulfide bond more electrophilic. Thus, these reagents can be added to any standard cleavage cocktail used in peptide synthesis.The p‐methoxybenzyl group of selenocysteine is easily removed by DTNP. Only sub‐stoichiometric amounts of DTNP are required to cause full removal of the p‐methoxybenzyl group, with as little as 0.2 equivalents necessary to effect 70% removal of the protecting group. In order to remove the p‐methoxybenzyl group from cysteine, 2 equivalents of DTNP and the addition of thioanisole was required to effect removal. Thioanisole was absolutely required for the reaction in the case of the sulfur‐containing amino acids, while it was not required for selenocysteine. The results were consistent with thioanisole acting as a catalyst. The acetamidomethyl group of cysteine could also be removed using DTNP, but required the addition of > 15 equivalents to be effective. DTP was less robust as a deprotection reagent. We also demonstrate that this chemistry can be used in a simultaneous cyclization/deprotection reaction between selenocysteine and cysteine residues protected by p‐methoxybenzyl groups to form a selenylsulfide bond, demonstrating future high utility of the deprotection method. Copyright © 2006 European Peptide Society and John Wiley & Sons, Ltd.
Process improvement evaluation approach using flow diagrams
Authors: Constant Paul C. 
Published: October 2006

AbstractMaintaining company processes will afford optimum operation and enhance the company's quality management system. A vital part of maintaining processes is their periodic evaluation. An important part of the monitoring and evaluation process is the flow diagram. A detailed flow diagram is an important tool that affords ease in visualizing the total process and is an aid in locating problem areas. The evaluation of a process is broken down into 15 steps. These steps cover gathering pertinent information, such as problem symptoms from knowledgeable sources and carrying these through their route to potential problem areas to the problems, potential causes, and the root cause of the problem. Knowing the problems brings about the need to assess their impact on the process operation as well as what changes to the process are needed and what impact these changes will have on the product – its improved quality and cost – and other vital information, such as, production rate increase, competition status, and company image. With this information, the appropriate changes are made according to a process change action plan. The plan is executed, and the process is continuously monitored according to a monitoring and evaluation plan. The paper ends with conclusions. Copyright © 2006 John Wiley & Sons, Ltd.
GLP SOPs for equipment calibration and maintenance. Part 2: an organized approach to streamlining procedural documentation
Authors: Rosa Michelle , Colligon Irina 
Published: October 2006

AbstractAs anyone who has had to deal with a Standard Operating Procedure (SOP) system can testify, managing these documents is a Herculean task, requiring full–time commitment. This article proposes an alternative and more efficient approach to building a manageable set of procedural/instructional documents that will help an organization meet its scientific and regulatory needs while alleviating the strain that a gargantuan SOP system can put on its personnel.Among the benefits of this approach are: (1) Documents are organized to follow the logical and chronological flow of the activities they describe. (2) Documents can be located quickly. (3) Users will find what they need to know, presented in a concise manner, without superfluous information. (4) Increased usability of the documents since there is a logical structure to delivered information; thus, users can control the level of detail based on their need. (5) Reduced effort for upkeep of individual documents. Copyright © 2006 John Wiley & Sons, Ltd.
The role of the study director in GLP
Authors: Garvin Deborah Eyer 
Published: October 2006

AbstractWith the complexity of today's studies, it has become increasingly critical that Study Directors understand all disciplines involved in studies under their responsibility. Every phase of a study directly impacts the outcome. If the Study Director does not have sufficient expertise to evaluate problems and issues in all areas as they occur, then study integrity is compromised. The physical location of the Study Director in a multi‐site study is of less importance than the education, experience and expertise of that individual. The Study Director must be the single point of control and truly qualified to evaluate all the phases of the study, troubleshoot problems, draw appropriate conclusions, tie all aspects together and write the final report. Copyright © 2006 John Wiley & Sons, Ltd.
Comparison Between 2D and 3D‐QSAR Approaches to Correlate Inhibitor Activity for a Series of Indole Amide Hydroxamic Acids
Authors: Katritzky Alan R. , Slavov Svetoslav H. , Dobchev Dimitar A. , Karelson Mati 
Published: October 2006

AbstractThe well‐expressed inhibitor activity of 36 indole amide hydroxamic acids to Histone Deacetylases (HDACs) was analyzed by CODESSA PRO software and the Best Multiple Linear Regression (BLMR) algorithm, to provide a reliable 2D‐QSAR model from a set of more than 800 descriptors. Concurrently, Chem‐X (version 1994) software was used to develop a corresponding 3D‐QSAR model; the steric and electrostatic interactions between a fictitious probe atom “H+” and a set of aligned molecules were evaluated using the CoMFA approach as implemented in Chem‐X. A Partial Least Squares (PLS) procedure generated the principal components needed to build a 3D‐QSAR model. The Weighted Least Squares (WLS) method generated an R2 map of the regions around the molecules important for steric and electrostatic interactions. Enzyme–inhibitor docking calculations were carried out to combine and compare with the results obtained by CoMFA. New potentially active structures were proposed.
Convergence of an s‐Wave calculation of the He ground state
Authors: Mitroy J. , Bromley M. W. J. , Ratnavelu K. 
Published: October 2006

AbstractThe configuration interaction (CI) method using a large Laguerre basis restricted to ℓ = 0 orbitals is applied to the calculation of the He ground state. The maximum number of orbitals included was 60. The numerical evidence suggests that the energy converges as ΔEN ≈ A/N7/2 + B/N8/2 + …, where N is the number of Laguerre basis functions. The electron–electron δ‐function expectation converges as ΔδN ≈ A/N5/2 + B/N6/2 + …, and the variational limit for the ℓ = 0 basis is estimated as 0.1557637174(2) a. It was seen that extrapolation of the energy to the variational limit is dependent on the basis dimension at which the exponent in the Laguerre basis was optimized. In effect, it may be best to choose a nonoptimal exponent if one wishes to extrapolate to the variational limit. An investigation of the natural orbital asymptotics revealed the energy converged as ΔEN ≈ A/N6 + B/N7 + …, while the electron–electron δ‐function expectation converged as ΔδN ≈ A/N4 + B/N5 + …. The asymptotics of expectation values other than the energy showed fluctuations that depended on whether N was even or odd. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Electron affinity of exotic systems under Debye plasma
Authors: Bhattacharyya S. , Sil A. N. , Mukherjee T. K. , Mukherjee P. K. , Vasu P. 
Published: October 2006

AbstractElectron affinity of plasma embedded muonium (μ+e−) and pionium (π+e−) has been estimated using a general three‐body formalism within variational framework. Electron correlation is taken care of using extended Hylleraas basis sets. The stability of the three‐body systems have been studied under the Debye screening model of the plasma, which changes the Coulombic potential to the screened Coulomb one. The electron affinity of the muonium and pionium is maximum for free systems, and it decreases gradually toward zero with increase of the plasma strength, which tends to push the three‐body system toward gradual instability. The electron correlation contribution to the affinity has been analyzed. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Deterministic global optimization for nonlinear model predictive control of hybrid dynamic systems
Authors: Long Christopher E. , Polisetty Pradeep K. , Gatzke Edward P. 
Published: October 2006

AbstractThis paper applies a deterministic non‐convex optimization method for nonlinear model predictive control (NMPC) of systems exhibiting nonlinear hybrid dynamics. The process is represented by a model that incorporates nonlinearity using both continuous state variables and binary variables that define the multiple regimes of operation. The resulting optimization problem is a mixed‐integer nonlinear program (MINLP). A deterministic method is employed to provide rigorous bounds on the solution. In some cases, this method can guarantee global optimality of the non‐convex MINLP. Novel algorithm modifications are presented to improve convergence rates for the deterministic algorithm. The control algorithm is demonstrated using a simulated system of pressure tanks in which the volumetric flow through the process valves switches between distinct flow regimes. Terminal constraints and regime boundary constraints are imposed to promote stability and improve robustness. Formulation limitations and alternatives are discussed to address instances in which the resulting MINLP cannot be solved rapidly enough for real‐time implementation. This work shows that deterministic methods can be applied to NMPC applications while taking stability and uncertainty into account. Copyright © 2006 John Wiley & Sons, Ltd.
The sustainable development area: satisfying basic needs and safeguarding ecological sustainability
Authors: Holden Erling , Linnerud Kristin 
Published: October 2006

AbstractThe aim of this article is to provide a simple and coherent framework for assessing the sustainability of present and future development policies. First, we present the major characteristics of the sustainability concept along three dimensions and suggest how these dimensions can be measured. Second, we construct a diagram, the sustainable development area, and employ data from 118 countries to evaluate the global situation with regard to sustainable development. Third, we outline three different approaches for reaching the sustainable development area and reflect on their possible implications. Copyright © 2006 John Wiley & Sons, Ltd and ERP Environment.
Serum biochemistry correlates with the size of tubal ectopic pregnancy on sonography
Authors: Guvendag Guven E. S. , Dilbaz S. , Dilbaz B. , Guven S. , Sahin Ozdemir D. , Haberal A. 
Published: October 2006

AbstractObjectiveTo investigate whether there is a correlation between serum biochemistry (human chorionic gonadotropin (hCG), CA 125, progesterone and estradiol) and the common sonographic findings (blob sign, bagel sign or extrauterine gestational sac with cardiac activity) or size of a tubal ectopic pregnancy, and whether there is a difference in serum biochemistry between women with a tubal ectopic pregnancy who are hemodynamically unstable (tachycardia, hypotension, falling hemoglobin levels and/or acute severe abdominal pain) and those who are hemodynamically stable.MethodsThis was a prospective cohort study of 106 women with a tubal ectopic pregnancy. We noted transvaginal ultrasound examination findings including adnexal mass size, and the serum levels of hCG, CA 125, progesterone and estradiol. The data were analyzed retrospectively.ResultsThe mean maternal and gestational ages were 30.7 ± 5.7 years and 44 ± 4.2 days, respectively. There was no correlation between serum markers and common sonographic findings. However, in the presence of the bagel sign on ultrasound, hemodynamic stability was more common (P = 0.03). The mean serum hCG concentrations in tubal ectopic pregnancies < 20 mm, 20–40 mm and > 40 mm in size were 2225.3 ± 3166.9, 4124.8 ± 6121.4, and 11 011.8 ± 12 670.1 IU/mL, respectively (P < 0.001). Serum hCG, CA 125 and estradiol values were well correlated with adnexal mass size; for CA 125 this correlation was linear. There was no difference in serum biochemistry between hemodynamically stable and hemodynamically unstable women.ConclusionCommon sonographic findings of tubal ectopic pregnancy do not correlate with serum biochemistry. High levels of CA 125, hCG or estradiol may suggest a larger adnexal mass in women with uncomplicated tubal pregnancies. Hemodynamically stable and hemodynamically unstable women do not differ in their serum biochemistry. Copyright © 2006 ISUOG. Published by John Wiley & Sons, Ltd.
Prenatal screening for congenital heart disease with four‐chamber and outflow‐tract views: a multicenter study
Authors: Oggè G. , Gaglioti P. , Maccanti S. , Faggiano F. , Todros T. 
Published: October 2006

AbstractObjectiveCongenital heart diseases (CHD) are the most common congenital anomalies, and most cases occur in the low‐risk population. Prenatal ultrasound screening based on visualization of the four‐chamber view has had disappointing results in detecting these anomalies thus far. The aim of this study was to evaluate the diagnostic accuracy of ultrasound screening based on the combination of the four‐chamber and outflow‐tract views.MethodsWe conducted a multicenter prospective observational study in 15 obstetric units in the Piedmont Region, Italy. All operators received specific training. Data were recorded regarding visualization of the four‐chamber view and the outflow tracts at each routine scan in pregnancies without any risk factor. When an anomaly was suspected, the patient was sent to the referral center. We obtained the follow‐up data of the newborns until discharge from hospital and calculated the diagnostic accuracy of the test.Results9074 ultrasound scans were performed on 7041 women and complete follow‐up information was available for 6368 of them. Fifty‐eight cases of CHD were observed at birth or postmortem (prevalence 9.1‰); 38 of them were diagnosed in utero. The sensitivity of the test was 65.5%, the specificity 99.7%, the positive predictive value 70.4% and the negative predictive value 99.7%. The sensitivity of the four‐chamber view alone was 60.3%.ConclusionsThe sensitivity was significantly higher than that in a similar study performed in 1997 in the same setting. This improvement can be attributed in part to extension of the examination to the outflow‐tract view, but also to technological developments and better training of the operators. Copyright © 2006 ISUOG. Published by John Wiley & Sons, Ltd.
Descriptive models for the system of the natural spread of infection of rice dwarf virus (RDV) by the green rice leafhopper, Nephotettix cincticeps Uhler (Hemiptera: Deltocephalidae)
Authors: Nakasuji Fusao , Kiritani Keizi 
Published: October 2006

SummarySeasonal changes in the densities of eggs and of 1st instar nymphs of N. cincticeps, a vector of the rice dwarf virus (RDV) and those in the proportion of virus‐infected rice hills were examined by regular field censuses during the period of 1964–69 at two localities in Kochi, Nangoku and Ino. The proportion of virus‐infected insects in the vector population was measured by the serological test. Mean fecundity of adult females of N. cincticeps in different generations was assessed by the method proposed byHokyo andKiritani (1968) in 1966 and 1967.Using observed variables as mentioned above, two mathematical models were built up for the system of the natural spread of infection of RDV. Submodels describing generation‐to‐generation changes in densities of eggs, 1st instar nymphs and leafhopper adults were involved in both Models 1 and 2. In Model 1, the proportion (P) of infected insects in the vector population was assumed to be determined directly by the amount (Iv) of infected rice plants in the field. In Model 2, instead of relating P directly to Iv,P was related to the acquisition rate (W) of RDV by the insects and to the effect of RDV (αr) on fecundity and survival of infected insects. Then, W was related to Iv.The estimates of P by these models fitted well to the observed values for 1st to 3rd generations but a great deviation was noted in 4th and 5th generations. For the percentage of infected rice hills, both models gave relatively good estimates in the early planted rice, though they gave overestimated values in the late planted rice.
Application of the method to the analysis of spatial patterns by changing the quadrat sizemethod to the analysis of spatial patterns by changing the quadrat size
Authors: Iwao Syun'iti 
Published: October 2006

SummaryA method for the analysis of spatial pattern using quadrats of different sizes is developed on the basis of the relationship of mean crowding () to mean density (m). The ‐on‐m regression obtained by successive changes in quadrat size in a single population (unit‐size relation) shows a characteristic pattern according to the type of distribution. By aid of the ρ‐index proposed here, we can distinguish the random, aggregated and uniform distributions of the basic components (individual or group of individuals). The ρ serves as an index of spatial correlation between neighbouring quadrats, and it also provides information on the approximate area occupied by clump (colony), distribution pattern of individuals within clumps, and possibly the distribution pattern of clumps themselves.Even in a specified type of distribution, the unit‐size relation is not necessarily identical with the relation for a series of populations at a particular quadrat size (series relation). The changes in the series relationship with successive changes of quadrat sizes are also considered for some basic patterns of distributions. The combined use of the unit‐size and the series relations for a set of populations of the species under study may provide a satisfactory picture of the spatial pattern characteristic of the species.Application of the method is illustrated by using distribution data of several species of animals and plants. The advantage of the present method over other methods are discussed, and the formulae for determining the optimum quadrat unit in sampling surveys are given.
The spatial pattern in a natural population of goldenrod (Solidago altissima L.), with particular reference to its change during the shoot growth
Authors: Kitamoto Toshio 
Published: October 2006

SummaryIn a natural population of Solidago altissima L., the changes in the spatial pattern of shoots in the course of growth were studied. The results obtained were summarized as follows:
The spatial pattern changed from clumped to random distribution as plants grew. The change seemed to be resulted from some density‐dependent process acting at a small spatial scale, probably the competition for space.
Large plants tended to distribute themselves more uniformly over the space than the small ones but at the mature stage of growth such a difference was not obviously recognized. The process of appearance of the small‐sized plants during successive periods also seemed to be dependent on local density.
Large plants at the early stage of growth tended to survive better, and there was a positive correlation between initial size and the size at maturity.
From these results, it is inferred that the change of spatial pattern from clumped to random distribution is largely due to the elimination of small shoots as the result of competition for space among individual shoots.
Differential impact of conventional oral or transdermal hormone replacement therapy or tibolone on body composition in postmenopausal women
Authors: Hänggi Willy , Lippuner Kurt , Jaeger Philippe , Birkhäuser Martin H. , Horber Fritz F. 
Published: October 2006

OBJECTIVETo compare the effects on body composition and body weight of tibolone vs two different sequential oral or transdermal oestrogen‐progestogen hormone replacement therapies versus no therapy.PATIENTS AND METHODSOne hundred postmenopausal women were assigned to a control group (n = 26), or randomized to 1) tibolone (TIB) 2.5 mg/day (n = 28), 2) oral oestradiol 2 mg/day (PO) plus sequential dydrogesterone 10 mg/day for 14 of 28 days per cycle (n = 26), or 3) transdermal oestradiol patch (TTS) releasing 50 μg/day plus oral sequential dydrogesterone 10 mg/day for 14 of 28 days per cycle (n = 20). Body composition was measured at the baseline and every 6 months for 2 years by DXA (Hologic QDR 1000 W).RESULTSTotal body fat mass increased (P < 0.05) in controls (+ 3.6 ± 1.5%) and in TTS treated (+ 4.7 ± 2.2%), but not in PO (−1.2 ± 2.4%) and TIB (−1.6 ± 2.2%) treated subjects. This increase in total fat mass in controls and TTS treated women was mostly due to an increase in fat mass of the trunk (P < 0.05), but not legs. As a result, a redistribution of body fat to the trunk occurred in controls, TTS and TIB, but not in PO treated women (P < 0.05). Total lean body mass decreased (P < 0.02) in controls (−1.7 ± 0.7%) and PO (−1.4 ± 0.6%), but not in TTS (+ 0.3 ± 0.8%) and TIB (+ 0.4 ± 0.5%) treated subjects.CONCLUSIONSThe menopause is associated with an increase in total body fat and a decline in lean body mass. Oral oestradiol/dydrogesterone and tibolone prevent total body fat changes, whereas transdermal oestradiol/oral dydrogesterone and tibolone prevent the lean mass changes. Furthermore, oral oestradiol/dydrogesterone prevents the shift to a cen_tral, android fat distribution.