bluuebunny/crossref_metadata_2025_split huggingface dataset:
Establishing effective simulation protocols for β‐ and α/β‐peptides. III. Molecular mechanical model for acyclic β‐amino acids
Authors: Zhu Xiao , Koenig Peter , Hoffmann Michael , Yethiraj Arun , Cui Qiang 
Published: February 2010

AbstractAll‐atom molecular mechanics (MM) force field parameters are developed for the backbone of acyclic β‐amino acid using an improved version of the multiobjective evolutionary algorithm (MOEA). The MM model is benchmarked using β3‐homo‐Alanine (β3‐hAla) diamide in water with SCC‐DFTB/MM simulations as the reference. Satisfactory agreements are found between the MM and SCC‐DFTB/MM results regarding the distribution of key dihedral angles for the β3‐hAla diamide in water. The MM model is further applied to a β‐hepta‐peptide in methanol solution. The calculated NOE values and 3J coupling constants averaged over different trajectories are consistent with experimental data. By contrast, simulations using parameters directly transferred from the CHARMM22 force field for proteins lead to much worse agreement, which highlights the importance of careful parameterization for non‐natural peptides, for which the improved MOEA is particularly useful. Finally, as an initial application of the new force field parameters, the behaviors of a short random copolymer consisting of β amino acids in bulk solution and membrane/water interface are studied using a generalized Born implicit solvent model (GBSW). Results for four selected sequences show that segregation of hydrophobic and cationic groups occur easily at the membrane/solution interface for all sequences. The sequence that features alternating short blocks exhibits signs of lower stability at the interface compared to other sequences. These results confirm the hypothesis in recent experimental studies that β‐amino‐acid based random copolymers can develop a high degree of amphiphilicity without regular three‐dimensional structure. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010
Partitions of the 8‐dimensional vector space over GF(2)
Authors: El‐Zanati S. , Heden O. , Seelinger G. , Sissokho P. , Spence L. , Eynden C. Vanden 
Published: February 2010

AbstractLet V = V(n, q) denote the vector space of dimension n over GF(q). A set of subspaces of V is called a partition of V if every nonzero vector in V is contained in exactly one subspace of V. Given a partition 𝒫 of V with exactly ai subspaces of dimension i for 1≤i≤n, we have , and we call the n‐tuple (an, an − 1, …, a1) the type of 𝒫. In this article we identify all 8‐tuples (a8, a7, …, a2, 0) that are the types of partitions of V(8, 2). © 2010 Wiley Periodicals, Inc. J Combin Designs 18: 462–474, 2010
Some rigid Steiner 5‐designs
Authors: Grannell M. J. 
Published: February 2010

AbstractHitherto, all known non‐trivial Steiner systemsS(5,k, v) have, as a group of automorphisms, eitherPSL(2,v−1) orPGL(2, (v−2)/2) ×C2. In this article, systemsS(5, 6, 72),S(5, 6, 84) andS(5, 6, 108) are constructed that have only the trivial automorphism group. © 2010 Wiley Periodicals, Inc. J Combin Designs 18:392–400, 2010
An unusual cause of acute abdominal pain in a child: An inverted meckel diverticulum: Report of a case
Authors: Yigiter Murat , Kıyıcı Halil , Yucesan Selçuk , Hicsonmez Akgün 
Published: February 2010

AbstractInverted Meckel diverticulum has been reported as a lead point for intussusception in children. However all cases of isolated inversion of a Meckel diverticulum have involved adults in whom the diagnosis was clinically unexpected. We describe the sonographic appearance of isolated inversion of Meckel diverticulum in a 3‐year‐old boy with acute abdominal symptoms. © 2010 Wiley Periodicals, Inc. J Clin Ultrasound, 2010
The quest for logia psyche in business leadership: An empirical study of cognitive moral development in construction industry dyads
Authors: Reischl James N. , Cavico Frank J. , Mujtaba Bahaudin G. , Pellet Pedro F. 
Published: February 2010

AbstractThis research study examines the ageless human debate of the body versus the soul, testing leadership in the industry of building constructors. Based on Kohlbergian theory of cognitive moral development, the multidisciplinary literature review advances the proposition that moral development proceeds in waves of egoism, leading to altruism that is couched in power—“the apple of the eye.” The results from respondents of the Iowa Architects Institute of America (n = 93) indicated that, despite their higher education and aesthetic interests, the sample of architects ranked low on moral maturity level compared to the average of the Defining Issues Test data bank as a whole. Principled scores were 36.4 for architects and 39.1 for the data bank. This research also compared the moral maturity of intra‐industry groups in marketing dyads consisting of architects, contractors, and suppliers using analysis of variance. Again, it was expected that architects with higher education and aesthetic interests would rank highest. Findings of post hoc comparisons revealed no significant difference in moral maturity level between architects and contractors engrossed in the same power paradigm (p = 1.00), yet a significant difference existed between architects and suppliers (p = 0.024). This implication is consistent with the teleological ethical pattern that is prevalent in research studies of salespeople.
Individual differences in implicit theories of leadership ability and self‐efficacy: Predicting responses to stereotype threat
Authors: Burnette Jeni L. , Pollack Jeffrey M. , Hoyt Crystal L. 
Published: February 2010

AbstractExtending research on implicit theories to the leadership domain, we examined how individual differences in belief about the malleability of leadership ability influenced responses to stereotype threat. The study consisted of two time periods. At time 1, we assessed individual differences in implicit theories of leadership ability and self‐efficacy for leadership. At time 2, we activated a stereotype threat in a high‐stakes environment. Results revealed that women reported lower self‐evaluation after a stereotype threat when they had low self‐efficacy and believed leadership ability to be fixed (entity theory) rather than malleable (incremental theory). Results are discussed in terms of how implicit theories generate a network of allied cognitions and emotions that subsequently predict stable patterns of behavior.
Rapid increase of Nurr1 mRNA expression in limbic and cortical brain structures related to coping with depression‐like behavior in mice
Authors: Rojas Patricia , Joodmardi Eliza , Perlmann Thomas , Ögren Sven Ove 
Published: February 2010

AbstractThe immediate‐early gene Nurr1 is a member of the inducible orphan nuclear receptor family. Nurr1 is essential to the differentiation, maturation, and maintenance of midbrain dopaminergic neurons and is expressed in different brain regions. We have reported that adult mice with reduced Nurr1 expression displayed an increase in immobility response to acute stress. These mice were also deficient in the retention of emotional memory. Thus, Nurr1 expression seems to be relevant to normal cognitive processes. To investigate the response of Nurr1 to a stress stimulus, Nurr1 mRNA expression was examined by in situ hybridization in adult mice using a depression‐like behavior paradigm, the forced swim test. The Nurr1 gene was rapidly and widely up‐regulated throughout the brain, including cortical areas (i.e., prefrontal cortex, primary and secondary visual cortex, primary auditory cortex, and secondary somatosensory cortex), hippocampus (dentate gyrus, CA1, CA2, and CA3), and midbrain (substantia nigra pars compacta and ventral tegmental area) at 30 min and 3 hr after the forced swim test. Dopamine content was reduced in prefrontal cortex and midbrain following swim stress. These results suggest that the increase in Nurr1 expression might be a compensatory mechanism to counteract the changes in forebrain dopamine transmission in coping with acute stress. © 2010 Wiley‐Liss, Inc.
Further screening of Aspergillus species for occurrence of lectins and their partial characterization
Authors: Singh Ram Sarup , Bhari Ranjeeta , Rai Jyoti 
Published: February 2010

AbstractFifteen species of Aspergillus were screened for occurrence of lectins. Nine of them (A. sydowii, A. candidus, A. allahabadi, A. terricola, A. ficuum, A. sparsus, A. carneus, A. pulvinus and A. aculeatus) were found to possess lectin activity. None of the species elaborated lectin in culture supernatant. All the lectins agglutinated rat, pig and rabbit erythrocytes. A. sydowii, A. candidus, A. allahabadi, A. terricola, A. ficuum, A. sparsus, A. carneus and A. aculeatus lectins agglutinated all human type erythrocytes equally, while A. pulvinus lectin specifically agglutinated human type A and O erythrocytes. Neuraminidase and protease treatment to erythrocytes substantially augmented lectin titres manyfold. Lectins showed specificity to mucin and asialofetuin and all of them were specific to L‐arabinose except that of A. carneus. Lectins from A. sydowii, A. ficuum, A. sparsus and A. carneus displayed remarkable specificities to D‐xylose. Maximum lectin activity was expressed by 11 day old cultures of A. sydowii (titre 32), A. ficuum (titre 64) and A. sparsus (titre 1024). Lectins from A. aculeatus, A. candidus and A. terricola were expressed by 7–10 days, 6–9 days and 5–11 days old cultures, respectively. A. allahabadi cultures exhibited maximum lectin activity (titre 32) after 8–10 days of cultivation. A. carneus and A. pulvinus expressed optimal titres of 32 and 8, respectively on the 9th day. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Optimization of medium and process parameters for the production of lipase from an oil‐tolerant Aspergillus sp. (RBD‐01)
Authors: Aulakh Satnam Singh , Prakash Ranjana 
Published: February 2010

AbstractExtracellular lipase production by Aspergillus sp. (RBD‐01) was monitored by modulating pH of the growth medium, ambient temperature for growth, source of nitrogen and percentage of carbon (virgin cottonseed oil). This strain was observed to be viable and produces lipase even up to 50% oil as a main carbon source. Maximum lipase activity of 21.8 U/ml was obtained with 50% (v/v) oil acting as the main carbon source and peptone (0.5% w/v) as nitrogen source. The optimum pH and temperature for enzymatic activity were observed to be 7.5 and 35 °C, respectively. The observations are of significance due to limited reports on use of 50% of oil as the main carbon source while obtaining significant lipase activity of 21.8 U/ml. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Effects of wastewater application on saturated hydraulic conductivity of different soil textures
Authors: Reza Sepaskhah Ali , Sokoot Masoud 
Published: February 2010

AbstractAs metropolitan areas expand, the municipal and industrial uses of freshwater increase. Therefore, water resources for irrigation become limited and wastewater reuse for irrigation becomes a good alternative. For this purpose, the effects of suspended solids in wastewater on the soil physical properties, i.e., saturated hydraulic conductivity, Ks, have to be considered. The objectives of this research were to study the effects of applying freshwater and differently treated wastewater on Ks in the surface and subsurface layers of sandy‐loam, loam, and clay‐loam soils. This effect was studied by investigating the ratio of Ks for wastewater to Ks for fresh water in soil surface as Kr1 and in soil subsurface as Kr2. The results showed that the application of freshwater did not reduce the Kr1 considerably. However, the reduction in Kr1 mainly occurred in soil depth of 0–50 mm due to the application of wastewater. This effect is more pronounced in clay‐loam soil than in loam and sandy‐loam soils. It is concluded that application of wastewater with TSS (total suspended solid) of ≥ 40 mg L–1 resulted in Kr1 reduction of >50% in different soil textures. However, the Kr2 reduction at soil depth of 100–300 mm is not considerable by application of wastewater for different soil textures. Further, it is concluded that less purified wastewater can be used in light‐texture soils resulting in less reduction in Kr1. Empirical models were developed for predicting the value of Kr1 as a function of amounts of wastewater application and TSS for different soil textures that can be used in management of wastewater application for preventing deterioration of soil hydraulic conductivity.
Does the source of nitrogen affect the response of subterranean clover to prolonged root hypoxia?
Authors: Horchani Faouzi , Hajri Rim , Khayati Holmi , Brouquisse Renaud , Aschi‐Smiti Samira 
Published: February 2010

AbstractNitrogen (N) is taken up by most plant species in the form of nitrate (NO$ _3^- $) or ammonium (NH$ _4^+ $). The plant response to continuous ammonium nutrition is species‐dependent. In this study, the effects of the source of N nutrition (NO$ _3^- $, NH$ _4^+ $, or the mixture of NO$ _3^- $ and NH$ _4^+ $) on the response of clover (Trifolium subterraneum L. cv. 45C) plants to prolonged root hypoxia was studied. Under aerobic conditions, plant growth was strongly depressed by NH$ _4^+ $, compared to NO$ _3^- $ or mixed N nutrition, as indicated by the significant decrease in root and shoot‐dry‐matter production (DW), root and shoot water contents (WC), leaf chlorophyll concentration, and chlorophyll fluorescence parameters (F0, Fv/Fm). However, the N source had no effect on chlorophyll a–to–chlorophyll b ratio. Under hypoxic conditions, the negative effects of root hypoxia on plant‐growth parameters (DW and WC), leaf chlorophyll concentration, and chlorophyll fluorescence parameters were alleviated by NH$ _4^+ $ rather than NO$ _3^- $ supply. Concomitantly, shoot DW–to–root DW ratio, and root and leaf NH$ _4^+ $ concentrations were significantly decreased, whereas root and leaf carbohydrate concentrations, glutamine synthetase activities, and protein concentrations were remarkably increased. The present data reveal that the N source (NO$ _3^- $ or NH$ _4^+ $) is a major factor affecting clover responses to hypoxic stress, with plants being more tolerant when NH$ _4^+ $ is the N form used. The different sensitivity is discussed in terms of a competition for energy between nitrogen assimilation and plant growth.
Characterization of archeological glasses by micro‐Raman spectroscopy
Authors: Cesaratto A. , Sichel P. , Bersani D. , Lottici P. P. , Montenero A. , Salvioli‐Mariani E. , Catarsi M. 
Published: February 2010

AbstractThe method based on the deconvolution of the Raman spectra of glasses, proposed for the investigation of glazed ceramics by Colomban, is applied to archeological samples of glass of two different origins in an attempt to characterize the glass composition and the fictive temperature using a contactless, nondestructive spectroscopic technique. The samples investigated are glassy mosaic tesserae of Roman times from Massa Lubrense, Napoli, Italy, and medieval rosary grains found during the excavations in the church of San Martino di Rivosecco, Parma, Italy. The polymerization index, obtained as the ratio of the bending and stretching band amplitudes, suggests firing temperatures not less than 1000–1100 °C for both Roman and medieval glasses. From the wavenumber shift of some stretching bands at about 1050–1100 cm−1, the content of lead was estimated. The medieval samples show a lower Pb content, a result confirmed by elementary energy dispersive X‐ray spectral data. Copyright © 2010 John Wiley & Sons, Ltd.
Citrinin selective molecularly imprinted polymers for SPE
Authors: Guo Bao‐Yuan , Wang Songxue , Ren Baozhong , Li Xin , Qin Fei , Li Jianzhong 
Published: February 2010

AbstractMolecularly imprinted polymers (MIPs) for citrinin (Cit) with 1‐hydroxy‐2‐naphthoic acid (HNA) as mimic template were prepared and the molecularly imprinted SPE method was developed for the detection of Cit in rice with HPLC. The adsorption properties of HNA and Cit on the MIPs and nonimprinted polymers were investigated. It proved that MIPs showed higher selectivity adsorption to HNA and Cit than nonimprinted polymers were. The recoveries of Cit in rice were in the range of 86.7–97.7%. The spiked rice samples and five rice samples in Beijing market were detected using molecularly imprinted SPE method and satisfied results were obtained as discussed in this article.
Separation of peptide diastereomers using CEC and a hydrophobic monolithic column
Authors: Ludewig Ronny , Dong Jing , Zou Hanfa , Scriba Gerhard K. E. 
Published: February 2010

AbstractA neutral hydrophobic monolith prepared by radical in situ copolymerization of lauryl methacrylate and ethylene dimethacylate has been evaluated for the CEC separation of diastereomers of small peptides using acidic mobile phases containing ACN as organic modifier. Using an acidic mobile phase, the peptides migrated due to their own electrophoretic mobility. Hydrophobic interactions with the stationary phase contributed to the separation. Peptide mobility and resolution increased with increasing the ACN content. Retention times increased with the pH of the mobile phase. Peak resolution increased with buffer pH and concentration. Di‐ and tripeptides composed only of L‐configured amino acids migrated faster than peptides containing D‐amino acids. A mixture of isomeric Asp tripeptides that could not be completely resolved by either CZE or HPLC as well as the 24mer peptides tetracosactide and 16[D‐Lys]‐tetracosactide could also be separated by CEC on the hydrophobic monolith.
Behavior of Nematic Bipolar Droplets in PDLC Films: An Optimization Study
Authors: Akbarzadeh Vajiheh , Lohi Ali , Chan Philip K. , Upreti Simant R. 
Published: February 2010

AbstractThe effect of nematic droplet shape, elastic constant ratio of liquid crystals, and external field strength on the performance of PDLC films is examined. The finite‐difference method is used to model a single droplet with external field applied parallel to the droplet axis of symmetry. Genetic algorithm is employed to determine the optimal (i) aspect ratio, (ii) elastic constant ratio, and (iii) external field strength, which minimize the response and relaxation times for the droplet reorientation as well as the energy requirement.magnified image
5,7,3′‐trihydroxy‐3,4′‐dimethoxyflavone‐induced cell death in human Leukemia cells is dependent on caspases and activates the MAPK pathway
Authors: Torres Fernando , Quintana José , Estévez Francisco 
Published: February 2010

AbstractFlavonoids are polyphenolic compounds which display a vast array of biological activities and are promising anticancer agents. In this study we investigated the effect of 5,7,3′‐trihydroxy‐3,4′‐dimethoxyflavone (THDF) on viability of nine human tumor cell lines and found that it was highly cytotoxic against leukemia cells. THDF induced G2–M phase cell‐cycle arrest and apoptosis through a caspase‐dependent mechanism involving cytochrome c release, processing of multiple caspases (caspase‐3, ‐6, ‐7, and ‐9) and cleavage of poly(ADP‐ribose) polymerase. Overexpression of the protective mitochondrial proteins Bcl‐2 and Bcl‐xL conferred partial resistance to THDF‐induced apoptosis. This flavonoid induced the phosphorylation of members of the mitogen‐activated protein kinases (MAPKs) family and cell death was attenuated by inhibition of c‐jun N‐terminal kinases/stress‐activated protein kinases (JNK/SAPK) and of extracellular signal‐regulated kinases (ERK) 1/2. In the present study we report that THDF‐induced cell death is mediated by an intrinsic dependent apoptotic event involving mitochondria and MAPKs, and through a mechanism independent of the generation of reactive oxygen species. The results suggest that THDF could be useful in the development of novel anticancer agents. Mol. Carcinog. © 2010 Wiley‐Liss, Inc.
Self‐rated health status in spinocerebellar ataxia—Results from a European multicenter study
Authors: Schmitz‐Hübsch Tanja , Coudert Mathieu , Giunti Paola , Globas Christoph , Baliko Laszlo , Fancellu Roberto , Mariotti Caterina , Filla Alessandro , Rakowicz Maryla , Charles Perrine , Ribai Pascale , Szymanski Sandra , Infante Jon , van de Warrenburg Bart P.C. , Dürr Alexandra , Timmann Dagmar , Boesch Sylvia , Rola Rafal , Depondt Chantal , Schöls Ludger , Zdzienicka Elszbieta , Kang Jun‐Suk , Ratzka Susanne , Kremer Berry , Schulz Jörg B. , Klopstock Thomas , Melegh Bela , du Montcel Sophie Tezenas , Klockgether Thomas 
Published: February 2010

AbstractPatient‐based measures of subjective health status are increasingly used as outcome measures in interventional trials. We aimed to determine the variability and predictors of subjective health ratings in a possible target group for future interventions: the spinocerebellar ataxias (SCAs). A consecutive sample of 526 patients with otherwise unexplained progressive ataxia and genetic diagnoses of SCA1 (117), SCA2 (163), SCA3 (139), and SCA6 (107) were enrolled at 18 European referral centers. Subjective health status was assessed with a generic measure of health related quality of life, the EQ‐5D (Euroqol) questionnaire. In addition, we performed a neurological examination and a screening questionnaire for affective disorders (patient health questionnaire). Patient‐reported health status was compromised in patients of all genotypes (EQ‐5D visual analogue scale (EQ‐VAS) mean 61.45 ± 20.8). Specifically, problems were reported in the dimensions of mobility (86.9% of patients), usual activities (68%), pain/discomfort (49.4%), depression/anxiety (46.4%), and self care (38.2%). Multivariate analysis revealed three independent predictors of subjective health status: ataxia severity, extent of noncerebellar involvement, and the presence of depressive syndrome. This model explained 30.5% of EQ‐VAS variance in the whole sample and might be extrapolated to other SCA genotypes. © 2010 Movement Disorder Society
Approximating minimum Steiner point trees in Minkowski planes
Authors: Brazil M. , Ras C. J. , Thomas D. A. 
Published: February 2010

AbstractGiven a set of points, we define a minimum Steiner point tree to be a tree interconnecting these points and possibly some additional points such that the length of every edge is at most 1 and the number of additional points is minimized. We propose using Steiner minimal trees to approximate minimum Steiner point trees. It is shown that in arbitrary metric spaces this gives a performance difference of at most 2n‐ 4, wherenis the number of terminals. We show that this difference is best possible in the Euclidean plane, but not in Minkowski planes with parallelogram unit balls. We also introduce a new canonical form for minimum Steiner point trees in the Euclidean plane; this demonstrates that minimum Steiner point trees are shortest total length trees with a certain discrete‐edge‐length condition. © 2010 Wiley Periodicals, Inc. NETWORKS, 2010