bluuebunny/crossref_metadata_2025_split huggingface dataset:
Kinetics of enzyme inhibition by active molluscicidal agents ferulic acid, umbelliferone, eugenol and limonene in the nervous tissue of snail Lymnaea acuminata
Authors: Kumar Pradeep , Singh V. K. , Singh D. K. 
Published: September 2008

AbstractFerulic acid, umbelliferone (Ferula asafoetida), eugenol (Syzygium aromaticum) and limonene (Carum carvi) are active molluscicidal components that inhibited the activity of alkaline phosphatase and acetylcholinesterase in in vivo and in vitro exposure of Lymnaea acuminata. It was observed that ferulic acid, umbelliferone and eugenol are competitive and limonene is a competitive–non‐competitive inhibitor of alkaline phosphatase. Ferulic acid and umbelliferone are competitive, whereas eugenol and limonene are competitive–non‐competitive and uncompetitive inhibitors of acetylcholinesterase, respectively. Copyright © 2008 John Wiley & Sons, Ltd.
The vertical structure of aerosol and its relationship to boundary‐layer thermodynamics over the rural UK
Authors: O'Dowd Colin D. , Smith Michael H. 
Published: September 2008

AbstractThe vertical structure of aerosol, covering sizes from 0.05‐4 μm radius, was examined under conditions of subsidence during winter and summer over the rural UK. Under well‐mixed boundary layer conditions, dry accumulation mode aerosol was found to be well mixed with height. During the winter campaigns, nocturnal cooling resulted in the development of a stable surface layer, typically 100 m in depth, within which the surface emitted pollutants became trapped leading to concentrations significantly greater than that observed in the mixed boundary layer above it. Under stable boundary‐layer conditions, the aerosol and water vapour vertical profiles exhibited strong negative gradients with height and were indicative of suppressed turbulence associated with stable boundary‐layer conditions. During summer, the boundary layer was normally decoupled and possessed two cloud layers: cumuli forming just below, and penetrating the surface‐layer inversion; and stratocumulus occupying the region under the boundary‐layer capping inversion. Aerosol profiles under decoupled conditions exhibited considerable variability with peak concentrations being observed in the vicinity of cloud edges. Average aerosol concentrations in the main boundary‐layer ranged from 209–651 cm−3 and 0.89–4.3 μm−3 cm−3 for dry number and volume respectively, whilst concentrations and volumetric loadings of 239–2430 cm−3 and 1.1–13.5 μm−3 cm−3 were encountered in surface layers. The majority of the aerosol number and mass concentrations were almost exclusively derived from the size range 0.05‐0.2 μm radius with mode radii often occurring at 0.1 μm or larger. By comparison, free tropospheric aerosol possessed typically an order of magnitude lower concentrations and mass with an associated mode radius of 0.05–0.06 μm or less.
Attribution concepts applied to the omega equation
Authors: Clough S. A. , Davitt C. S. A. , Thorpe A. J. 
Published: September 2008

AbstractAttributing synoptic development and structure to particular atmospheric features is an important practical problem. In this paper, methods which have been proposed for the attribution of quasi‐geostrophic potential vorticity (PV) are extended to the study of sources of vertical motion and the influence of the earth's surface and tropopause.It is shown that, in the presence of an exponential variation of density in the vertical, both the PV and omega equations are governed by an identical form of Helmholtz's equation with a simple radially‐symmetric Green's function in layers of constant Brunt–Väisälä frequency.Analytical solutions are given and used to investigate the influence of boundary conditions and source (PV and div Q) distributions, which distinguish the attribution of geopotential and vertical motion. In particular, solutions to the omega equation are markedly affected by dipole cancellation due to the surface boundary condition. The following results are shown:
The compressible response to forcing suffers an exponential decay with range compared to the incompressible solution, with a deformation radius of order 2000 km in the mid‐latitude troposphere. This behaviour characterizes quasi‐geostrophic PV inversion, and is most important in high latitudes.
In the absence of boundaries, the incompressible solution correctly represents the response at levels above a source, but overestimates the response beneath the source in proportion to the density.
Because of the surface‐dipole cancellation, the incompressible solution to the omega equation is accurate for most purposes.
The effects of lower level sources of vertical motion (below 700 hPa) are shown to be inhibited and highly localized.
The tropopause causes only a small dipole‐cancellation in the omega equation, while the tropospheric response to stratospheric sources is strongly inhibited.
It is concluded from these results that upper tropospheric and tropopause‐level sources tend to dominate the large‐scale pattern of vertical motion. Green's function formulation of the problem also suggests source‐based approaches to practical diagnostic study which can be related to the above properties.
Mesoscale analysis of the activation of a cold front during cyclogenesis
Authors: Browning K. A. , Roberts N. M. , Illingworth A. J. 
Published: September 2008

AbstractThe archetypal mesoscale structure of an ana‐cold front comprises a narrow cold‐frontal rainband (NCFR), associated with line convection, embedded within a wide cold‐frontal rainband (WCFR) due to the slantwise ascent associated with a strong transverse‐front mesoscale circulation. Whereas most mesoscale observational studies have concentrated on this mature stage, the present paper explores by means of a detailed case‐study how such a mature frontal system develops from pre‐existing features. the study is based upon the synthesis of data spanning many scales, in the form of satellite imagery, observations from conventional and multi‐parameter Doppler radar, and surface reports, together with diagnostics from an operational mesoscale forecast model. the cold‐frontal zone in this case is characterized by multiple cold fronts. the dominant second cold front is studied in detail from the point of view of its evolution and its relationship to neighbouring fronts, especially the leading front associated with the initial polar‐front cloud band. the dominant cold front started as a shallow ‘rope cloud’ in the cold sector, and at a fairly early stage it produced a NCFR due to line convection. Then, over a period of only a few hours, a dry intrusion and an associated strong direct transverse‐front circulation led to the formation of a canopy of mid‐level cloud and a WCFR. the WCFR was attributable not only to the rearward‐ascending outflow from the line convection but also to the re‐invigoration of ascent within the initial polar‐front cloud band that the line convection was undercutting. Although the transverse circulation was probably intensified by precipitation processes, it is inferred that it was mainly a manifestation of the larger‐scale environmental flow that existed independently of the major precipitation features.
Chemical bond descriptors from molecular information channels in orbital resolution
Authors: Nalewajski Roman F. 
Published: September 2008

AbstractThe inter and intraorbital flows of the Fisher and Shannon informations in the molecular communication networks defined in the condensed atomic orbital (AO) resolution are investigated, and the effect of the basis set overlap is examined. The Schrödinger equation is interpreted as solution of the variation principle for the extreme Fisher information, subject to the wave‐function‐normalization (geometric) and potential‐energy (physical) constraints. Its orbital contributions determine the information scattering of the underlying Fisher channel in the adopted AO basis set. This communication network is compared with the associated information system of the Shannon theory of communication. The new set of conditional probabilities between orbitals is compared to that used in the previous, sequential‐cascade approach to the effective information promotion of AO in the molecular environment. Both geometrical and physical probabilities are reexamined using the quantum‐mechanical superposition principle. The former characterizes the whole orbital space, whereas the latter describes only its occupied part, which determines the system chemical bonds. It is argued that the squares of corresponding elements of the charge and bond‐order (CBO) matrix of the LCAO MO theory replace in the physical set of conditional probabilities the corresponding squares of the overlap integrals, which determine the geometrical set. The chain‐rule interpretation of conditional probabilities is given. The modified 2‐AO channel reproduces fully the earlier predictions from the molecular information channel in atomic resolution. The familiar bond criteria for an effective mixing of AO into molecular orbitals (MO) are shown to remain valid in the communication theory of the chemical bond (CTCB). © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2009
DFT study for the heterojunction effect in the precious metal clusters
Authors: Okumura Mitsutaka , Kinoshita Masahiro , Yabushita Hirotaka , Kitagawa Yasutaka , Kawakami Takashi , Yamaguchi Kizashi 
Published: September 2008

AbstractIn the case of the precious metal catalysts, the precious metal nanoparticles deposited on the several supports exhibit extremely high‐catalytic activity for many catalytic reactions. The boundary region between the nanoparticles and the support is one of the active sites in these catalysts. Moreover, the core/shell‐type bimetallic nanoparticles also show the high‐catalytic activities for several catalytic reactions. In these systems, the electronic states of the surfaces in the clusters are modified by the heterojunction between the two different compositions. Therefore, we investigate the heterojunction effect in these model catalysts, such as precious metal core/shell clusters and Pd supported on single‐wall carbon nanotube model cluster, using hybrid density functional theory. From the calculation results, we find that the charge transfer interactions and the variation of the ground spin states in the metal clusters are the characteristics induced by the heterojunction in these model systems. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
DFT study on the hydrogen bonds of phenol–cyclohexanone and phenol–H2O2 in the Baeyer–Villiger oxidation
Authors: Long Qingping , Ji Hongbing , Lv Shushen 
Published: September 2008

AbstractHydrogen bonds of phenol–cyclohexanone and phenol–H2O2 in the studied Baeyer–Villiger (B–V) oxidation have been investigated by HF, B3LYP, and MP2 methods with various basis sets. The accurate single‐point energies were performed using CCSD(T)/6‐31+G(d,p) and CCSD(T)/aug‐cc‐pVDZ on the optimized geometries of MP2/6‐31+G(d,p). It has been confirmed that B3LYP/6‐31+G(d,p) could be used to study such hydrogen bonds. Energetic analysis of complexes was carried out using the Xantheas method with BSSE corrected by CP method. Orbital energy order (ε) illuminated that phenol with good hydrogen donor‐acceptor property can interact with cyclohexanone or H2O2 to form hydrogen bound complexes, and the binding energies (BE) range from −4.38 to −14.06 kcal mol−1. NBO analysis indicated that the redistribution of atomic charges in the complexes facilitated nucleophilic attack of H2O2 on cyclohexanone. The calculated results match remarkably well with the experimental phenomena. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2009
Meta‐analysis of diagnostic test studies using individual patient data and aggregate data
Authors: Riley Richard D. , Dodd Susanna R. , Craig Jean V. , Thompson John R. , Williamson Paula R. 
Published: September 2008

AbstractA meta‐analysis of diagnostic test studies provides evidence‐based results regarding the accuracy of a particular test, and usually involves synthesizing aggregate data (AD) from each study, such as the 2 by 2 tables of diagnostic accuracy. A bivariate random‐effects meta‐analysis (BRMA) can appropriately synthesize these tables, and leads to clinical results, such as the summary sensitivity and specificity across studies. However, translating such results into practice may be limited by between‐study heterogeneity and that they relate to some ‘average’ patient across studies.In this paper we describe how the meta‐analysis of individual patient data (IPD) from diagnostic studies can lead to clinical results more tailored to the individual patient. We develop IPD models that extend the BRMA framework to include study‐level covariates, which help explain the between‐study heterogeneity, and also patient‐level covariates, which allow one to assess the effect of patient characteristics on test accuracy. We show how the inclusion of patient‐level covariates requires a careful separation of within‐study and across‐study accuracy‐covariate effects, as the latter are particularly prone to confounding. Our models are assessed through simulation and extended to allow IPD studies to be combined with AD studies, as IPD are not always available for all studies. Application is made to 23 studies assessing the accuracy of ear thermometers for diagnosing fever in children, with 16 IPD and 7 AD studies. The models reveal that between‐study heterogeneity is partly explained by the use of different measurement devices, but there is no evidence that being an infant modifies diagnostic accuracy. Copyright © 2008 John Wiley & Sons, Ltd.
On improving dynamic decision‐making: implications from multiple‐process cognitive theory
Authors: Bakken Bent Erik 
Published: September 2008

AbstractDecision environments that afford unambiguous and transparent feedback allow humans to build up corresponding mental models that give them good decision guidance. But in many complex decision situations, such feedback is not available. In such environments people not only show initial misperceptions, but also fail to learn. Education and training have therefore been proposed, but with limited success. This paper applies multiple‐process cognitive theory to explain findings of poor learning and sub‐optimal decision‐making. The applied theory suggests that intuitive processes are default in decision‐making and natural learning. Analytic processes are more seldom applied. Implications for education and training in dynamic decision‐making are suggested, and in light of the primacy of intuitive processes, include massive exposure to complex dynamic decision‐making in order to improve upon intuition in such environments. Copyright © 2008 John Wiley & Sons, Ltd.
Transperineal versus transvaginal sonographic cervical length measurement in second‐ and third‐trimester pregnancies
Authors: Meijer‐Hoogeveen M. , Stoutenbeek P. , Visser G. H. A. 
Published: September 2008

AbstractObjectiveTo investigate the reliability of, and patient satisfaction with, transperineal cervical length measurement during the third trimester of pregnancy and to compare these with measurement during the mid‐trimester, using transvaginal sonographic imaging of the cervix as a reference.MethodsWomen attending an outpatient clinic for cervical length measurement before 29 weeks or after 35 weeks of gestation were examined by transvaginal and transperineal ultrasound and the results compared. Preference for either method was indicated by both sonographers and patients.ResultsSeventy‐one patients participated in the study, 23 in the second and 48 in the third trimester of pregnancy. There was failure to obtain a clear image on transperineal ultrasound in 30% of mid‐trimester pregnancies, and in 19% of third‐trimester cases. Elevation of the patient's hips improved the image in five out of 10 women in whom the scan was repeated following a postural change. Transvaginal cervical length measurements could be obtained in all cases. There was a strong correlation between transvaginal and transperineal measured cervical length (Pearson's correlation coefficient = 0.85). Sonographers preferred transvaginal images of the cervix irrespective of whether they were obtained in the second or third trimester. Transperineal ultrasound was judged as not or mildly painful by most women, but transvaginal ultrasound was preferred.ConclusionsTransvaginal ultrasound is the least painful, most feasible, and probably most accurate method with which to measure cervical length in the third trimester of pregnancy. Transperineal ultrasound is a feasible alternative, although its application in clinical practice is restricted by the need for an experienced sonographer. Copyright © 2008 ISUOG. Published by John Wiley & Sons, Ltd.
Optimization, Yield Studies and Morphology of WO3Nano-Wires Synthesized by Laser Pyrolysis in C2H2and O2Ambients—Validation of a New Growth Mechanism
Authors: Mwakikunga BW , Forbes A , Sideras-Haddad E , Arendse C 
Published: September 2008

Abstract
Laser pyrolysis has been used to synthesize WO3nanostructures. Spherical nano-particles were obtained when acetylene was used to carry the precursor droplet, whereas thin films were obtained at high flow-rates of oxygen carrier gas. In both environments WO3nano-wires appear only after thermal annealing of the as-deposited powders and films. Samples produced under oxygen carrier gas in the laser pyrolysis system gave a higher yield of WO3nano-wires after annealing than the samples which were run under acetylene carrier gas. Alongside the targeted nano-wires, the acetylene-ran samples showed trace amounts of multi-walled carbon nano-tubes; such carbon nano-tubes are not seen in the oxygen-processed WO3nano-wires. The solid–vapour–solid (SVS) mechanism [B. Mwakikunga et al., J. Nanosci. Nanotechnol., 2008] was found to be the possible mechanism that explains the manner of growth of the nano-wires. This model, based on the theory from basic statistical mechanics has herein been validated by length-diameter data for the produced WO3nano-wires.
Controllable Synthesis of Magnesium Oxysulfate Nanowires with Different Morphologies
Authors: Sun XT , Shi WT , Xiang L , Zhu WC 
Published: September 2008

Abstract
One-dimensional magnesium oxysulfate 5Mg(OH)2 · MgSO4 · 3H2O (abbreviated as 513MOS) with high aspect ratio has attracted much attention because of its distinctive properties from those of the conventional bulk materials. 513MOS nanowires with different morphologies were formed by varying the mixing ways of MgSO4 · 7H2O and NH4OH solutions at room temperature followed by hydrothermal treatment of the slurries at 150 °C for 12 h with or without EDTA. 513MOS nanowires with a length of 20–60 μm and a diameter of 60–300 nm were prepared in the case of double injection (adding MgSO4 · 7H2O and NH4OH solutions simultaneously into water), compared with the 513MOS with a length of 20–30 μm and a diameter of 0.3–1.7 μm in the case of the single injection (adding MgSO4 · 7H2O solution into NH4OH solution). The presence of minor amount of EDTA in the single injection method led to the formation of 513MOS nanowires with a length of 100–200 μm, a diameter of 80–200 nm, and an aspect ratio of up to 1000. The analysis of the experimental results indicated that the hydrothermal solutions with a lower supersaturation were favorable for the preferential growth of 513MOS nanowires along b axis.
Osteochondroplasty of the femoral head in hip reconstruction for type II late sequelae of septic arthritis: A preliminary report
Authors: El-Tayeby Hazem Mossad 
Published: September 2008

Purpose To suggest different procedures tailored for hip reconstruction in type II late sequelae of septic arthritis. Methods The severely deformed subluxated or dislocated femoral head is reshaped in accordance to radiographic and on-table assessment (osteochondroplasty). Sixteen hips in 13 patients (three bilateral) were the subject of this study. They were all affected during incubation in the first few weeks after birth. Age at operation was in the range 2–12 years (average 5.3). The main complaint was instability, stiffness during walking and the inability to sit comfortably, limb length discrepancy, and mild pain on walking. Preoperatively, the range of motion was limited to a certain degree in different directions in all cases. Plain radiography, computed tomography (CT), or multi-slice CT with reconstruction 3D views were of benefit in analyzing the problem preoperatively. Magnetic resonance imaging (MRI) was performed for selected cases after 2 years to test for the viability of the femoral head. Surgical technique A modified approach was used to adequately expose the iliac bone, the hip, and the upper third of the femur. Meticulous dissection to preserve the amalgamated capsule and a well-planned capsulotomy for later adequate capsulorrhaphy is essential. Debridement to clear the acetabulum from intra-articular fibrosis is attempted prior to acetabular reconstruction (Salter, Dega, or triple pelvic osteotomy). Head and neck reconstruction (osteochondroplasty) is performed according to the nominated topography of the deformed head (beard, collared, staghorn, etc.). A carefully planned reshaping in a manner not disturbing the superior weight bearing articulating surface with the acetabulum will allow easy containment in the reconstructed acetabulum. Associated subluxation or dislocation will dictate adequate shorting with femoral cuts inclined in a manner bringing the impinging overgrown greater trochanter down, achieving a near to normal neck shaft angle. Results According to the criteria proposed by Hunka et al. (Clin Orthop Relat Res 171:30–36, 1982), a satisfactory result is considered when a stable pain-free hip is achieved with flexion arc >70° and flexion contracture <20°. This was true in 13 hips. It appears that better results are achieved in younger children with minimal intra-articular adhesions limiting hip movements, and with less destruction of the articular cartilage. A final improvement in the range of movement should not be expected before 6–12 months. Intensive physiotherapy to improve postoperative stiffness is required. Conclusion The proposed reconstruction procedure for reshaping the deformed femoral head (osteochondroplasty) is a salvage attempt that achieved a more or less mobile painless stable hip joint besides restoring the normal anatomical relationship, should total hip replacement (THR) be needed in the future.
Generation and Field Trials of Transgenic Rice Tolerant to Iron Deficiency
Authors: Kobayashi Takanori , Nakanishi Hiromi , Takahashi Michiko , Mori Satoshi , Nishizawa Naoko K. 
Published: September 2008

Abstract
Iron deficiency is a major cause of reduced crop yields worldwide, particularly in calcareous soils. Unlike barley, rice is highly susceptible to iron deficiency because of a low capacity to secrete mugineic acid family phytosiderophores (MAs), which are iron chelators secreted by graminaceous plants. We present an approach toward the generation along with field trials of transgenic rice lines exhibiting increased tolerance to iron deficiency. Cloning barley genes that encode biosynthetic enzymes for MAs enabled us to produce transgenic rice plants by introducing barley MAs biosynthesis-related genes. We tested three transgenic lines possessing barley genomic fragments responsible for MAs biosynthesis in a paddy field experiment on calcareous soil, which revealed tolerance of these lines to low iron availability. We also applied new approaches to generate iron-deficiency-tolerant rice lines, including the introduction of an engineered ferric-chelate reductase gene and manipulation of transcription factor genes regulating the iron deficiency response.