bluuebunny/crossref_metadata_2025_split huggingface dataset:
Formation of Structural Categories to Allow for Read‐Across for Teratogenicity
Authors: Enoch Steven J. , Cronin Mark T. D. , Madden Judith C. , Hewitt Mark 
Published: May 2009

AbstractReproductive toxicity is a key endpoint under REACH as it is costly, both financially and in the numbers of animal used. These factors make the development of alternative methods for the identification and assessment of chemicals potentially able to cause reproductive toxicity very important. Category formation and read‐across have been suggested to be powerful methods that can utilize existing toxicological data in a transparent and interpretable manner, allowing chemical risk assessments to be carried out with minimal animal usage. Category formation relies on chemical similarity and the ability to select chemicals that act via a single mechanism of toxic action. This study therefore has investigated the use of 2D similarity indices available within the freely downloadable Toxmatch software to form mechanistically transparent categories for 57 query chemicals from a database of 233 chemicals for which teratogenicity (an important endpoint within reproductive toxicity) had been previously assessed. The hypothesis being that chemicals selected as being similar should act via a single mechanism of action, even if that mechanism is unknown. Read‐across predictions were then performed for the query chemicals for which a category could be formed. The results showed that mechanistic categories could be formed for 17 of the 57 query chemicals, within these categories read across predictions enabled the teratogenicity of the query chemicals to be correctly predicted. It was concluded that 2D similarity methods offer a useful method for building chemical categories for teratogenicity in which a‐priori mechanistic knowledge is limited.
The effect of sodium dodecyl sulfate and anion‐exchange silica gel on matrix‐assisted laser desorption/ionization mass spectrometric analysis of proteins
Authors: Asanuma Miwako , Fukuzawa Seketsu , Matsuda Takayoshi , Hirota Hiroshi 
Published: May 2009

AbstractSodium dodecyl sulfate (SDS), an anionic surfactant, is widely used in peptide and protein sample preparation. When the sample is analyzed by matrix‐assisted laser desorption/ionization mass spectrometry (MALDI‐MS), this surfactant can often cause signal suppression. We have previously reported an on‐probe sample preparation method using a suspension of anion‐exchange silica gel and sinapinic acid (i.e., gel‐SA suspension) as a matrix, thereby greatly improving the MALDI signal detection of the protein solutions containing SDS. In this study, we found that a certain amount of SDS enhanced the MALDI signal intensity for protein samples. This effect was also observed when using sodium decyl sulfate and sodium tetradecyl sulfate instead of SDS. Furthermore, this on‐probe sample preparation method using both SDS and the gel‐SA suspension improved the detection limit of protein samples in the MALDI‐MS analysis by about ten‐fold as compared to that of protein samples without SDS and the gel‐SA suspension. This method can be applied not only to the MALDI‐MS analysis of samples containing SDS, but also to the examination of proteins at femtomole levels or insoluble proteins such as membrane proteins. Copyright © 2009 John Wiley & Sons, Ltd.
Gas‐phase tautomerism in 1‐phenylazonaphthalene‐4‐ol: verification of the responses of individual tautomers
Authors: Nedeltcheva Daniela , Kurteva Vanya , Damyanova Boriana , Popov Simeon 
Published: May 2009

AbstractGas‐phase tautomerism in 1‐phenylazonaphthalene‐4‐ol (1) was studied by using electron ionization (EI) mass spectrometry on the basis of the fragmentations of the model enol and keto tautomers, where the movable proton is replaced by a methyl group. These fixed tautomers were obtained as an easy separable mixture by simple methylation of the cheap and easily accessible diazene (1). It was found that their EI mass spectral fragmentations are in full congruence with the already published theoretical predictions. The relative energies required for bond cleavage in 1 and its fixed tautomers were estimated by stepwise increasing of the electron energy of the ion source of the mass spectrometer. A simple equation for the approximate estimation of the molar fractions of the individual tautomers was suggested. It was shown that the enol form is dominant in the temperature range of 200–300°C. Copyright © 2009 John Wiley & Sons, Ltd.
Random security scheme selection for mobile transactions
Authors: Babu B. Sathish , Venkataram Pallapa 
Published: May 2009

AbstractSecurity in a mobile communication environment is always a matter for concern, even after deploying many security techniques at device, network, and application levels. The end‐to‐end security for mobile applications can be made robust by developing dynamic schemes at application level which makes use of the existing security techniques varying in terms of space, time, and attacks complexities. In this paper we present a security techniques selection scheme for mobile transactions, called the Transactions‐Based Security Scheme (TBSS). The TBSS uses intelligence to study, and analyzes the security implications of transactions under execution based on certain criterion such as user behaviors, transaction sensitivity levels, and credibility factors computed over the previous transactions by the users, network vulnerability, and device characteristics. The TBSS identifies a suitable level of security techniques from the repository, which consists of symmetric, and asymmetric types of security algorithms arranged in three complexity levels, covering various encryption/decryption techniques, digital signature schemes, and hashing techniques. From this identified level, one of the techniques is deployed randomly. The results shows that, there is a considerable reduction in security cost compared to static schemes, which employ pre‐fixed security techniques to secure the transactions data. Copyright © 2008 John Wiley & Sons, Ltd.
BBN based approach for improving the software development process of an SME—a case study
Authors: Bibi S. , Stamelos I. , Gerolimos G. , Kollias V. 
Published: May 2009

AbstractThis article proposes an approach for improving the software process of a small/medium company. The methodology is presented through a case study during which estimation models have been applied, evaluated and introduced in a telecommunication software development process. The proposed methodology uses Bayesian Belief Networks to represent the relationships among implementation, product and process metrics and their impact on the development effort. The estimation models that were derived were applied and evaluated on the on‐going projects of the company. Finally, by performing the same analysis on data from the International Software Benchmarking Standards Group (ISBSG) repository, it is demonstrated how one company can utilize data from other companies when it lacks sufficient data of its own. Copyright © 2009 John Wiley & Sons, Ltd.
Assessment of sediment quality of Yangtze River estuary using zebrafish (Danio rerio) embryos
Authors: Wu Lingling , Chen Ling , Hou Junli , Zhang Yalei , Zhao Jianfu , Gao Hongwen 
Published: May 2009

AbstractYangtze River estuary is one of the largest estuaries worldwide. In this study, the sediment quality of Yangtze River estuary was evaluated using zebrafish (Danio rerio) embryos. Freshly fertilized zebrafish eggs (2 h after fertilization) were exposed to the whole sediment and its organic phase of extract, respectively. The parameters, including survival rate, abnormality, hatching rate, and heart rate of the zebrafish embryos, were recorded during the 96‐h exposure. The results demonstrated that the concentrations of heavy metals (Zn, Cu, Cd, Ni, Cr, and As) and low‐molecular weight PAHs (Fluorene) in the sediment of Yangtze River estuary exceeded their corresponding effects range low values. The maximum concentrations of Zn and Fluorene in the sediment samples were 239.6 μg/g and 45.9 ng/g, respectively. In both whole sediment test and organic extract test, the survival rate and heart rate of zebrafish embryos were reduced, as well as abnormalities and delayed hatching were induced. For example, the highest mortality of the embryos was 39% in the whole sediment exposure. Overall, the occurrence of toxic compounds in the sediment of Yangtze River estuary may have potentially teratogenic effect on biota. The sediment from the upstream of Yangtze River estuary have more observed toxic effects on zebrafish embryos than that form the downstream. Therefore, more attention should be paid to control these pollutants, especially heavy metals in the Yangtze River estuary. © 2009 Wiley Periodicals, Inc. Environ Toxicol, 2010.
QoS‐aware packet forwarding in MIMO sensor networks: a cross‐layer approach
Authors: Song Lingyang , Zhang Yan , Yu Rong , Yao Wenqing 
Published: May 2009

AbstractMultiple‐input multiple‐output (MIMO) enabled wireless sensor networks (WSNs) are becoming increasingly important since significant performance enhancement can be realized. In this paper, we propose a packet forward strategy for MIMO sensor networks by jointly considering channel coding, rate adaptation, and power allocation. Each sensor node has multiple antennas and uses orthogonal space time block codes (OSTBC) to exploit both spatial and temporal diversities. The objective is to determine the optimal routing path that achieves the minimum symbol error rate (SER) subject to the source‐to‐destination (S‐D) energy consumption constraint. This SER‐based quality‐of‐service (QoS) aware packet forwarding problem is formulated into the framework of dynamic programming (DP). We then propose a low‐complexity and near‐optimal approach to considerably reduce the computation complexity, which includes state space partition and state aggregation techniques. Simulations indicate that the proposed protocol significantly outperforms traditional algorithms. Further still, the performance gain increases with tighter S‐D energy constraint. Copyright © 2009 John Wiley & Sons, Ltd.
Multiscale modeling for biologists
Authors: Meier‐Schellersheim Martin , Fraser Iain D. C. , Klauschen Frederick 
Published: May 2009

AbstractBiomedical research frequently involves performing experiments and developing hypotheses that link different scales of biological systems such as, for instance, the scales of intracellular molecular interactions to the scale of cellular behavior and beyond to the behavior of cell populations. Computational modeling efforts that aim at exploring such multiscale systems quantitatively with the help of simulations have to incorporate several different simulation techniques because of the different time and space scales involved. Here, we provide a nontechnical overview of how different scales of experimental research can be combined with the appropriate computational modeling techniques. We also show that current modeling software permits building and simulating multiscale models without having to become involved with the underlying technical details of computational modeling. Copyright © 2009 John Wiley & Sons, Inc.This article is categorized under:

Analytical and Computational Methods > Computational Methods
Syntheses and Structural Characterization of Four New Silver(I) Complexes with the N,N′(O)‐bidentate Bridging Ligands
Authors: Li Yu‐Guang , Jiang Qi‐Bai , Cheng Kui , Yan Hong , Zhu Hai‐Liang 
Published: May 2009

AbstractFour new bridged silver(I) complexes, namely [Ag2(μ2‐teda)(μ2‐fbc)2] (1), [Ag2(μ2‐1,6‐dah)2](bpdc)·4H2O (2), [Ag2(μ2‐2‐ap)(2‐ap)(bnb)]·0.34H2O (3), [Ag2(μ2‐pyc)2(2‐apy)2]·0.5H2O (4), have been synthesized and characterized by elemental analysis and crystallographic methods [fbc = 4‐fluorobenzoate, teda = triethylenediamine (1); bpdc = biphenyl‐4,4′‐dicarboxylate, 1,6‐dah = 1,6‐diaminohexane (2); bnb = 3,5‐binitrobenzoate, 2‐ap = 2‐aminopyrimidine (3); pyc = 3‐pyridinecarboxylate acid, 2‐apy = 2‐aminopyridine (4)]. Complex 1 contains a 1D linear chain paralleling to the c‐axis, whereas in complex 2 silver(I) atoms were bridged by the 1,6‐dah ligand into a zigzag chain, further giving a 1D ribbon by weak Ag···Ag interactions. Complex 3 consists of a dinuclear silver(I) [Ag2(μ2‐2‐ap)(2‐ap)(bnb)] moiety and a lattice water molecule, forming a 3D network via a number of hydrogen‐bonding interactions such as N–H···O, N–H···N and C–H···O hydrogen bond and other weak interactions such Ag···Ag, Ag···N, N···O as well as O···O interaction. Similar to 3, the asymmetric unit of 4 consists of one dinuclear silver(I) [Ag2(μ2‐pyc)2(2‐apy)2] moiety and half lattice water molecule, further generating a tetranuclear silver(I) {[Ag2(μ2‐pyc)2(2‐apy)2]2·H2O} moiety. These moieties construct a 3D supramolecular network structure of 4 through N–H···O, O–H···O and C–H···O hydrogen bonds as well as other weak interactions such as Ag···O and N···O interactions.
Funktionalisierung von Silicium‐Nanopartikeln mit Fluorwasserstoff und Olefinen
Authors: Klingbeil Christian , Angerstein Brigitta , Klingebiel Uwe 
Published: May 2009

AbstractFunctionalization of Silicon Nanoparticles with Hydrogen Fluoride and OlefinsSilicon nanoparticles (Si‐NPs) from a hot wall reactor (size: 50–300 nm) were freed of surface‐bound SiOx with anhydrous HF, leaving H‐terminated Si‐NPs. Thermally induced hydrosilylation with 1‐octene lead to the formation of surface bound octyl layers. Using anhydrous HF instead of 40 % hydrofluoric acid leads more efficiently to alkylated Si‐NPs.
Significance of Lymph Node Metastasis in Patients with Colorectal Cancer Peritoneal Carcinomatosis
Authors: Chua Terence C. , Yan Tristan D. , Ng Keh M. , Zhao Jing , Morris David L. 
Published: May 2009

AbstractBackgroundLymph node metastasis is common in patients with colorectal cancer. Its significance in patients at the time of primary colorectal surgery and later in patients who develop colorectal cancer peritoneal carcinomatosis (CRPC) is unknown. Lymphatic metastasis reflects a systemic spread of cancer and its implication on patients who undergo cytoreductive surgery (CRS) and perioperative intraperitoneal chemotherapy (PIC) for carcinomatosis needs to be studied.MethodsPatients with CRPC underwent CRS and PIC according to a standardized treatment protocol in our institution. Pathology reports from the primary colorectal surgery and at the time of treatment for CRPC was retrospectively retrieved and appraised. Comparison of survival outcomes using the log‐rank test was performed for patients with and without lymphatic metastasis.ResultsSixty patients were treated for CRPC with CRS and PIC. At the time of colorectal surgery, patients with lymph node involvement had similar survival outcomes compared with patients without lymph node involvement (median survival: 31 months, 36 months; p = 0.9). However, when they subsequently develop peritoneal carcinomatosis and underwent treatment with CRS and PIC, patients with lymph node involvement did significantly worse (median survival: 20 months, 38 months; p = 0.003).ConclusionsThe results of our study suggest that lymph node metastasis in patients with CRPC is an indicator of a poor prognosis and requires further investigation and recognition.
Diathermy vs. Scalpel Skin Incisions in General Surgery: Double‐Blind, Randomized, Clinical Trial
Authors: Shamim Muhammad 
Published: May 2009

AbstractObjectiveThis prospective, double‐blind, randomized, controlled trial was designed to compare the outcome of diathermy incisions versus scalpel incisions in general surgery.MethodsA total of 369 patients who underwent diathermy incision (group A: 185 patients) or scalpel incision (group B: 184 patients) were analyzed. Variables analyzed were: surgical wound classification, length and depth of incision, incision time, duration of operation, incisional blood loss, postoperative pain, duration of hospital stay, duration of healing, and postoperative complications. The inclusion criteria were all patients who underwent elective or emergency general surgery. The exclusion criteria were only cases with incomplete patients’ data and patients who were lost to follow‐up. This study was conducted at Fatima Hospital‐Baqai Medical University and Shamsi Hospital (Karachi), from January 2006 to December 2007.ResultsIncision time was significantly longer for patients in group B (p = 0.001). Incisional blood loss also was more for patients in group B (p = 0.000). Pain perception was found to be markedly reduced during the first 48 h in group A (p = 0.000). Total period of hospital stay (p = 0.129) and time for complete wound healing (p = 0.683) were almost the same for both groups. Postoperative complication rate by wound classification did not differ markedly between the two groups (p = 0.002 vs. p = 0.000).ConclusionsDiathermy incision has significant advantages compared with the scalpel because of reduced incision time, less blood loss, & reduced early postoperative pain.
Grafting of 4-(2,4,6-Trimethylphenoxy)benzoyl onto Single-Walled Carbon Nanotubes in Poly(phosphoric acid) via Amide Function
Authors: Han Sang-Wook , Oh Se-Jin , Tan Loon-Seng , Baek Jong-Beom 
Published: May 2009

Abstract
Single-walled carbon nanotubes (SWCNTs), which were commercial grade containing 60–70 wt% impurity, were treated in a mild poly(phosphoric acid) (PPA). The purity of PPA treated SWCNTs was greatly improved with or without little damage to SWCNTs framework and stable crystalline carbon particles. An amide model compound, 4-(2,4,6-trimethylphenoxy)benzamide (TMPBA), was reacted with SWCNTs in PPA with additional phosphorous pentoxide as “direct” Friedel–Crafts acylation reaction to afford TMPBA functionalized SWCNTs. All evidences obtained from Fourier-transform infrared spectroscopy, Raman spectroscopy, thermogravimetric analysis, scanning electron microcopy, and transmission electron microscopy strongly supported that the functionalization of SWCNTs with benzamide was indeed feasible.
Outcome of late-onset Perthes’ disease using four different treatment modalities
Authors: Osman M. K. , Martin D. J. , Sherlock D. A. 
Published: May 2009

Purpose The outcome of Perthes’ disease in children over 8 years tends to be poor. It is unclear whether any treatment modality alters the natural history. This study compares the results of four treatment modalities for this group of patients. Methods A retrospective review was performed of prospectively collected data for 44 children (48 hips) with Catterall grade 2, 3 or 4 Perthes’ disease with onset age 8 years or older followed to maturity. Patients were divided into four groups (a no-treatment group and three interventional groups). The interventional groups were demographically similar but the untreated patients were older and had poorer indices for most modalities. Results Overall for all treatment modalities only 19% had a satisfactory Stulberg grade II outcome. Poorer outcomes (as assessed by center–edge angle and percentage femoral head coverage) were associated with increasing age, greater initial head deformity, and more head involvement. Initial head deformity did not remodel for any group and progressed despite plaster treatment or varus osteotomy but not after acetabular augmentation. Acetabular augmentation gave better outcomes for C/B ratio and center–edge angle. Conclusions Whatever the treatment, the outcome is poorer with increasing age. No treatment guarantees a good result for significant head involvement or initial deformity but acetabular augmentation improves C/B ratio and center–edge angle and prevents progressive femoral head deformity compared with no treatment, varus osteotomy, and plaster treatment.
WEAK CONVERGENCE OF AN ITERATIVE SCHEME FOR GENERALIZED EQUILIBRIUM PROBLEMS
Authors: PENG JIAN-WEN , YAO JEN-CHIH 
Published: May 2009

AbstractIn this paper, we introduce an iterative scheme using an extragradient method for finding a common element of the set of solutions of a generalized equilibrium problem, the set of fixed points of a nonexpansive mapping and the set of the variational inequality for a monotone, Lipschitz-continuous mapping. We obtain a weak convergence theorem for three sequences generated by this process. Based on this result, we also obtain several interesting results. The results in this paper generalize and extend some well-known weak convergence theorems in the literature.
Multiple mechanisms responsible for differential susceptibilities ofSitobion avenae(Fabricius) andRhopalosiphum padi(Linnaeus) to pirimicarb
Authors: Lu Y. , Gao X. 
Published: May 2009

AbstractBothSitobion avenae(Fabricius) andRhopalosiphum padi(Linnaeus) are the most important pests of wheat in China and usually coexist on the late period of wheat growth. Pirimicarb was introduced into China for wheat aphid control in early 1990s, and differential susceptibilities ofSitobion avenae(Fabricius) andRhopalosiphum padi(Linnaeus) to pirimicarb have been observed. A bioassay exhibited thatRhopalosiphum padipossessed significantly higher susceptibility to pirimicarb thanSitobion avenae. The addition of synergists DEF, an esterase inhibitor, PBO, a cytochrome P450 monooxygenase inhibitor, and DEM, a glutathioneS-transferase inhibitor, resulted in apparent reductions in the differential susceptibilities, suggesting the involvement of the above three detoxification enzymes in the differential susceptibility to pirimicarb betweenSitobion avenaeandRhopalosiphum padi. A biochemical analysis showed that the activities of carboxylesterases and glutathioneS-transferases were significantly higher inSitobion avenaethan inRhopalosiphum padi, consistent with the results of synergism. Acetylcholinesterase is the target enzyme of pirimicarb and the sensitivity of acetylcholinesterase to pirimicarb was significantly higher inRhopalosiphum padithan inSitobion avenae. The combined results suggest that multiple mechanisms are likely to be responsible for differential susceptibilities to pirimicarb betweenSitobion avenaeandRhopalosiphum padi. The results obtained from this study should be helpful in the rational applications of insecticides.
The effect of psychiatric co-morbidity on cognitive functioning in a population-based sample of depressed young adults
Authors: Castaneda A. E. , Marttunen M. , Suvisaari J. , Perälä J. , Saarni S. I. , Aalto-Setälä T. , Aro H. , Lönnqvist J. , Tuulio-Henriksson A. 
Published: May 2009

BackgroundPsychiatric co-morbidity is often inadequately controlled for in studies on cognitive functioning in depression. Our recent study established no major deficits in cognition among young adults with a history of pure unipolar depression. The present study extends our previous work by examining the effects of psychiatric co-morbidity and other disorder characteristics on depression-related cognitive functioning.MethodPerformance in verbal and visual short-term memory, verbal long-term memory and learning, attention, processing speed, and executive functioning was compared between a population-based sample aged 21–35 years with a lifetime history of unipolar depressive disorders (n=126) and a random sample of healthy controls derived from the same population (n=71). Cognitive functioning was also compared between the subgroups of pure (n=69) and co-morbid (n=57) depression.ResultsThe subgroups of pure and co-morbid depression did not differ in any of the cognitive measures assessed. Only mildly compromised verbal learning was found among depressed young adults in total, but no other cognitive deficits occurred. Received treatment was associated with more impaired verbal memory and executive functioning, and younger age at first disorder onset with more impaired executive functioning.ConclusionsPsychiatric co-morbidity may not aggravate cognitive functioning among depressed young adults. Regardless of co-morbidity, treatment seeking is associated with cognitive deficits, suggesting that these deficits relate to more distress.