bluuebunny/crossref_metadata_2025_split huggingface dataset:
Recent developments in the analysis of fires, explosions, and production disruption incidents in chemical plants and oil refineries
Authors: McIntyre Dale R. , Ford Emory 
Published: May 2009

AbstractSignificant changes in computing power, regulatory climate, safety culture and globalization of business ventures have occurred since the original publication of MTI Publication No. 30, Guidelines for Assessing Fire and Explosion Damage. The implications of these changes are reviewed with regard to the work of investigators charged with the analysis of fires, explosions and major production disruption incidents in chemical processing plants and refineries. A review of advances in computer modeling of large‐scale energy release events is presented. Storm damage assessment and the analysis of incidents involving sabotage are discussed. © 2009 American Institute of Chemical Engineers Process Saf Prog 2009
Large area mapping of the alloy composition of Alx Ga1–xN using infrared reflectivity
Authors: Henry A. , Lundskog A. , Janzén E. 
Published: May 2009

AbstractThe energy position of a dip observed in the IR‐reflectance spectra recorded from wurtzite c ‐plane Alx Ga1–x N epitaxial films grown on SiC substrate reflects the composition of the alloy. A calibration procedure is presented with the possibility of mapping for large area wafer. The technique is non‐destructive, scalable and fast. The limitations are discussed and comparisons with other techniques are made. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Phytotherapy used in orissa state, india for treating malaria
Authors: Kantamreddi Venkata Siva Satyanarayana , Parida Sagarika , Kommula Suryanarayana Murty , Wright Colin W. 
Published: May 2009

AbstractThis paper reports 35 medicinal plants belonging to 25 families used in the treatment of malaria by the people inhabiting the forests located near to Bhubaneswar, the capital city of Orissa, a south‐eastern state in India. The methods adopted for the preparation of plant parts are discussed along with their family and local name(s). The majority of the herbal preparations were made in the form of juices or by using water as the medium in the form of decoctions or infusions. Various plant parts, such as leaves, flowers, fruits, barks, stems, roots, and in some cases the whole plants are used to prepare these remedies each of which contains a single species. Copyright © 2009 John Wiley & Sons, Ltd.
Antinociceptive and antiinflammatory activities of grandisin extracted from Virola surinamensis
Authors: Carvalho Adryano A. V. , Galdino Pablinny M. , Nascimento Marcus V. M. , Kato Massuo J. , Valadares Marize C. , Cunha Luiz C. , Costa Elson A. 
Published: May 2009

AbstractThe antinociceptive and antiinflammatory properties of the neolignan, grandisin, isolated from Virola surinamensis (Myristicaceae) were investigated. Grandisin (GRA) is present in several plant species from Brazil used in popular medicine for the treatment of disorders such as colic, inflammation, rheumatism, dyspepsia and liver dysfunction. These studies demonstrated that GRA is able to inhibit the acetic acid‐induced writhing in mice dose‐dependently, and that this effect is not caused by motor incoordination or sedation due to depressant effect in the CNS. Through the formalin test the antiinflammatory activity of GRA was characterized, this substance reduced the time licking the paw by 60.5% (only in the second phase (inflammatory pain). This activity was also verified by the oil‐induced ear oedema test, where GRA 10.0 mg/kg reduced the oedema by 36.4%. The results suggest that GRA has antinociceptive effects arising from antiinflammatory activity. Copyright © 2009 John Wiley & Sons, Ltd.
Antioxidant activities of coumarins from Korean medicinal plants and their structure–activity relationships
Authors: Thuong Phuong Thien , Hung Tran Manh , Ngoc Tran Minh , Ha Do Thi , Min Byung Sun , Kwack Seung Jun , Kang Tae Suk , Choi Jae Sue , Bae KiHwan 
Published: May 2009

AbstractThe aim of this work was to study the structure–activity relationships of the antioxidant activity of natural coumarins isolated from four Korean medicinal plants (1–17) and four purchased coumarins (18–21). The free radical scavenging and lipid peroxidation assays revealed that five phenolic coumarins, scopoletin (1), aesculetin (2), fraxetin (3), umbelliferone (18) and daphnetin (19), possessed considerable antioxidant activities. The coumarins having a catechol group, 2, 3 and 19, showed significant free radical scavenging activity and inhibitory effects on lipid peroxidation, indicating that the catechol group significantly contributed to the antioxidant activities of coumarins. In contrast, the sugar moiety markedly reduced the activities of coumarin glycosides. The results also demonstrate that the α‐pyrone ring of coumarins significantly enhanced the capacity of inhibiting oxidative reactions of coumarins. Copyright © 2009 John Wiley & Sons, Ltd.
Restrained optimization of broken‐symmetry determinants
Authors: Herrmann Carmen , Podewitz Maren , Reiher Markus 
Published: May 2009

AbstractThe goal of this work is to provide an overview on how Lagrange multipliers can be used in self‐consistent‐field algorithms for convergence control. In particular, a restrained optimization scheme is proposed with the purpose to guide any set of initial guess molecular orbitals to those of a Slater determinant which (1) has certain expectation values (i.e., molecular properties) within a predefined range and (2) corresponds to a true (local) energy minimum, if such a minimum exists within the property range chosen. The most important practical application of such an algorithm is the calculation of minimum‐energy broken‐symmetry determinants, which are often used in Kohn‐Sham density functional calculations to model antiferromagnetically coupled states. This is achieved by (a) combining a constrained optimization with a subsequent optimization where the constraints are released, i.e., the Lagrange multipliers are set to zero. Alternatively, (b) a modified scheme may be employed, where the constraints are released as soon as the energy starts to rise in the SCF algorithm. Both alternatives are combined with both intermediate and final automatic control of whether the properties of interest are within the desired range. A parameter study using scheme (a) is carried out for a set of small test systems. Applications to a synthetically available trinuclear copper complex and to Crabtree and Brudvig's water‐oxidizing complex demonstrate the value and limitations of restrained optimization. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009
Thermal solitons and solectrons in nonlinear conducting chains
Authors: Chetverikov Alexander P. , Ebeling Werner , Velarde Manuel G. 
Published: May 2009

AbstractWe present a model for nonlinear excitations in bio(macro)‐molecules stable at room temperature and offering a possible mechanism for electron transfer over long distances (e.g., 100 Å and beyond). It is based on the excitation of generally supersonic solitons in a heated one‐dimensional lattice with Morse interactions in a temperature range from low to physiological level. We study the influence of these supersonic excitations on electrons moving in the lattice. The lattice units (considered as “atoms”) are treated by classical Langevin equations. The densities of the core electrons are in a first estimate represented by Gaussian densities, thus permitting to visualize lattice compressions as enhanced density regions. The evolution of excess, added free electrons is modeled in the tight‐binding approximation using first Schrödinger equation and, subsequently, the assumption of local canonical equilibrium corresponding to an adiabatic approximation. The relaxation to thermal equilibrium is studied in a perturbative approach by means of the Pauli master equation. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Four‐center Slater‐type orbital molecular integrals without orbital translations
Authors: Hoggan Philip E. 
Published: May 2009

AbstractThis article advocates the use of atomic orbitals which have direct physical interpretation, i.e., hydrogen‐like orbitals. They are exponential‐type orbitals (ETOs). Convenient nodeless linear combinations are used, namely Slater‐type orbitals (STOs), with a product of a single power of r and an exponential as radial factor. Until 2008, such orbital products on different atoms were difficult to manipulate for the evaluation of two‐electron integrals. The difficulty was mostly due to cumbersome orbital translations involving slowly convergent infinite sums. These are completely eliminated using Coulomb resolutions. They provide an excellent approximation that reduces these integrals to a sum of one‐electron overlap‐like integral products that each involve orbitals on at most two centers. Such two‐center integrals are separable in prolate spheroidal coordinates. They are thus readily evaluated. Only these integrals need to be re‐evaluated to change basis functions. The above is still valid or three‐center integrals. In four‐center integrals, the resolutions require translating one potential term per product. This is outlined here and detailed elsewhere. Numerical results are reported for the H2 dimer. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Ab initio quantum‐mechanical prediction of the IR and Raman spectra of Ca3Cr2Si3O12 Uvarovite garnet
Authors: Valenzano L. , Pascale F. , Ferrero M. , Dovesi R. 
Published: May 2009

AbstractThe IR and Raman spectra of uvarovite (Ca3Cr2Si3O12) garnet were simulated with the periodic ab initio CRYSTAL code by adopting an all‐electron Gaussian‐type basis set and the B3LYP Hamiltonian. The two sets of 17 F1u Transverse‐Optical (TO) and Longitudinal‐Optical (LO) frequencies are generated, together with their intensities. As regards the IR experimental spectrum, only five peaks are available, that are in excellent agreement with the calculated data (mean absolute difference $\vert\overline\Delta\vert$ smaller than 5.2 cm−1). The analysis of the TO‐LO eigenvalue overlaps permits to establish a correspondence between LO and TO modes. The set of experimental Raman peaks is much reacher (23 out of 25) and the agreement with our calculations excellent ($\vert\overline\Delta\vert$
smaller than 6 cm−1). Isotopic substitution is used to identify the zones of the spectrum where Cr and Ca contributions are relevant. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Mining abnormal patterns from heterogeneous time‐series with irrelevant features for fault event detection
Authors: Fujimaki Ryohei , Nakata Takayuki , Tsukahara Hidenori , Sato Akinori , Yamanishi Kenji 
Published: May 2009

AbstractWe address the issue of detecting fault events in multivariate time series. We suppose the following realistic and challenging situations: (A) the features to which multivariate time series correspond are heterogeneous; (B) only a small number of examples of fault events are available in advance relative to a large number of normal examples; and (C) many features irrelevant to fault events are included. To resolve these situations, detecting faults specifically in machine systems such as automobile, train, etc. is usually required. We propose an algorithm to resolve the issue. Key ideas in it include: (1) transforming the time‐series for each feature into a sequence of anomaly scores, in order to map heterogeneous features to homogeneous ones (an anomaly score indicates the degree of anomalousness relative to an ordinal sequence) and then representing the pattern of a fault event in terms of fault anomaly score vectors; (2) selecting features specifying a fault event by means of iterative optimization using both normal and fault anomaly score vectors. We then monitor the degree of anomalousness with respect to target anomaly score vectors by comparing them with the abnormal patterns. We demonstrate the effectiveness of our proposed algorithm through an application to an actual automobile fault diagnosis data set as well as an artificial dataset. © 2009 Wiley Periodicals, Inc. Statistical Analysis and Data Mining 2: 1‐17, 2009
Dynamic analysis of combat vehicle accidents
Authors: Minami Nathan A. , Madnick Stuart 
Published: May 2009

AbstractTo the chagrin of well‐intentioned Army leaders, dozens of soldiers are killed each year as a result of combat vehicle accidents. The objective of this study is to look beyond the events and symptoms of accidents which normally indicate human error, and instead study the upper‐level organizational processes and problems that constitute the actual root causes of accidents. After a short review of the literature we report on our development of a system dynamics model. We then discuss the results of several simulations; these suggest that high‐level decisions that balance mission rate and operations tempo with troop availability, careful management of the work–rest cycle for deployed troops, and improvement of the processes for evaluating the lessons learned from accidents would lead to a reduction in Army combat vehicle accidents. Copyright © 2009 John Wiley & Sons, Ltd.
The essence of transformation in a self‐organizing team
Authors: Tu Yi‐ming , Wang Wei‐yang , Tseng Ya‐tsai 
Published: May 2009

AbstractThis study explores the process through which a team dismantles its existing order and rebuilds a new one via innovations and changes spontaneously initiated by team members. With the quantitative system dynamics model built in this study, the essence of adaptation of the navigation teams is examined and some self‐organization characteristics of the dynamic adaptation process are further identified and discussed. Although the system dynamics model is based solely on the case of a navigation team, the distributed cognition properties and mechanisms that are essential to social systems support the belief of this study that the model represents the common self‐organization mechanisms in the evolutionary process of a team's shared working structure. Copyright © 2009 John Wiley & Sons, Ltd.
Two‐dimensional semiparametric density ratio modeling of testicular germ cell data
Authors: Kedem Benjamin , Kim Eun‐young , Voulgaraki Anastasia , Graubard Barry I. 
Published: May 2009

AbstractBivariate semiparametric inference based on a two‐dimensional density ratio model is discussed and applied in testing the significance of risk factors regarding testicular germ cell tumors. The results from the joint analysis of height and weight data from a case–control study show that jointly these two factors are significant, whereas body mass index, which is a function of height and weight, is not a significant risk factor. Published in 2009 by John Wiley & Sons, Ltd.
Bayesian semiparametric analysis of structural equation models with mixed continuous and unordered categorical variables
Authors: Song Xin‐Yuan , Xia Ye‐Mao , Lee Sik‐Yum 
Published: May 2009

AbstractRecently, structural equation models (SEMs) have been applied for analyzing interrelationships among observed and latent variables in biological and medical research. Latent variables in these models are typically assumed to have a normal distribution. This article considers a Bayesian semparametric SEM with covariates, and mixed continuous and unordered categorical variables, in which the explanatory latent variables in the structural equation are modeled via an appropriate truncated Dirichlet process with a stick‐breaking procedure. Results obtained from a simulation study and an analysis of a real medical data set are presented to illustrate the methodology. Copyright © 2009 John Wiley & Sons, Ltd.
A comparison of several approaches for choosing between working correlation structures in generalized estimating equation analysis of longitudinal binary data
Authors: Shults Justine , Sun Wenguang , Tu Xin , Kim Hanjoo , Amsterdam Jay , Hilbe Joseph M. , Ten‐Have Thomas 
Published: May 2009

AbstractThe method of generalized estimating equations (GEE) models the association between the repeated observations on a subject with a patterned correlation matrix. Correct specification of the underlying structure is a potentially beneficial goal, in terms of improving efficiency and enhancing scientific understanding. We consider two sets of criteria that have previously been suggested, respectively, for selecting an appropriate working correlation structure, and for ruling out a particular structure(s), in the GEE analysis of longitudinal studies with binary outcomes. The first selection criterion chooses the structure for which the model‐based and the sandwich‐based estimator of the covariance matrix of the regression parameter estimator are closest, while the second selection criterion chooses the structure that minimizes the weighted error sum of squares. The rule out criterion deselects structures for which the estimated correlation parameter violates standard constraints for binary data that depend on the marginal means. In addition, we remove structures from consideration if their estimated parameter values yield an estimated correlation structure that is not positive definite. We investigate the performance of the two sets of criteria using both simulated and real data, in the context of a longitudinal trial that compares two treatments for major depressive episode. Practical recommendations are also given on using these criteria to aid in the efficient selection of a working correlation structure in GEE analysis of longitudinal binary data. Copyright © 2009 John Wiley & Sons, Ltd.
The estimation of average hazard ratios by weighted Cox regression
Authors: Schemper Michael , Wakounig Samo , Heinze Georg 
Published: May 2009

AbstractOften the effect of at least one of the prognostic factors in a Cox regression model changes over time, which violates the proportional hazards assumption of this model. As a consequence, the average hazard ratio for such a prognostic factor is under‐ or overestimated. While there are several methods to appropriately cope with non‐proportional hazards, in particular by including parameters for time‐dependent effects, weighted estimation in Cox regression is a parsimonious alternative without additional parameters. The methodology, which extends the weightedk‐sample logrank tests of the Tarone‐Ware scheme to models with multiple, binary and continuous covariates, has been introduced in the nineties of the last century and is further developed and re‐evaluated in this contribution. The notion of an average hazard ratio is defined and its connection to the effect size measureP(X<Y) is emphasized. The suggested approach accomplishes estimation of intuitively interpretable average hazard ratios and provides tools for inference. A Monte Carlo study confirms the satisfactory performance. Advantages of the approach are exemplified by comparing standard and weighted analyses of an international lung cancer study. SAS and R programs facilitate application. Copyright © 2009 John Wiley & Sons, Ltd.
Limitations to interorganizational knowledge acquisition: the paradox of corporate venture capital
Authors: Dushnitsky Gary , Shaver J. Myles 
Published: May 2009

AbstractBy highlighting conditions under which viable interorganizational relationships do not materialize, we explore the limitations of interorganizational knowledge acquisition. In the empirical context of corporate venture capital (CVC), we analyze a sample of 1,646 start‐up‐stage ventures that received funding during the 1990s. Under a regime of weak intellectual property protection (IPP), an entrepreneur‐CVC investment relationship is less likely to form when the entrepreneurial invention targets the same industry as corporate products. In contrast, under a strong IPP regime, industry overlap is associated with an increase in the likelihood of an investment relationship. Our findings suggest that many relationships do not form because the corporation will not invest unless the entrepreneur discloses his or her invention, and the entrepreneur may be wary of doing so, fearing imitation. To the extent that a CVC has greater capability and inclination to target same‐industry ventures, such industry overlap would exacerbate imitation concerns under a weak IPP regime, yet facilitate an investment relationship under a strong IPP regime. Beyond CVC, this insight may explain patterns of other interorganizational relationships, including research and development alliances and technology licensing between start‐ups and incumbents. Copyright © 2009 John Wiley & Sons, Ltd.
The continuing validity of the strategy‐structure nexus: new findings, 1993–2003
Authors: Galan Jose I. , Sanchez‐Bueno Maria J. 
Published: May 2009

AbstractThis study analyzes whether a diversification strategy facilitates subsequent divisionalization (and hence that ‘structure follows strategy’), and/or whether the multidivisional structure leads to a diversification strategy (and hence that ‘strategy follows structure’). In theoretical terms, this study is original in that it institutes a debate between the Chandler thesis and other perspectives that challenge the generalizability of the strategy‐structure nexus. Interestingly, this new study with contemporaneous data for the period 1993–2003 sheds light on this contested issue and postulates that despite the criticism of Chandler's contribution, it still works. Our results show that strategic diversification affects structural divisionalization, and in turn, structural divisionalization affects strategic diversification. Copyright © 2009 John Wiley & Sons, Ltd.
Rapid assessment of seismic demand in existing building structures
Authors: Tsang Hing‐Ho , Su Ray K. L. , Lam Nelson T. K. , Lo S. H. 
Published: May 2009

AbstractSeismic assessment of building structures can be a very involved process. This paper presents a simplified and rational manual procedure for rapid predictions of maximum inter‐storey drift demand in tall buildings, which does not require frame analysis nor finite element analysis to be carried out and can be expedited by the use of a spreadsheet program. The methodology comprises a series of stages, beginning with the development of an elastic design response spectrum (or a uniform hazard spectrum) for specifying the level of seismic hazard, followed by the inclusion of a site‐specific factor that represents the effects of soil amplification. The maximum seismic inter‐storey drift demand of the building is then predicted from the displacement response spectrum for a given height and the estimated lateral natural periods of the building. The proposed manual procedure can be further developed to cater for limited ductility demand behaviour in the building. The predicted drift demand is an important indicator of potential seismic damage (risk), and may be utilized for the rapid assessment of damage and loss (cost) for considered earthquake scenarios. Copyright © 2008 John Wiley & Sons, Ltd.