bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, Biological Activity, and X‐Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl Acyl Carrier Protein Reductase. Part 1. 4′‐Substituted Triclosan Derivatives.
Authors: Freundlich Joel S. , et al. et al. 
Published: January 2006

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access the actual ChemInform Abstract, please click on HTML or PDF.
3‐[Substituted]‐5‐(5‐pyridin‐2‐yl‐2H‐tetrazol‐2‐yl)benzonitriles: Identification of Highly Potent and Selective Metabotropic Glutamate Subtype 5 Receptor Antagonists.
Authors: Tehrani Lida R. , Smith Nicholas D. , Huang Dehua , Poon Steve F. , Roppe Jeffrey R. , Seiders Thomas Jon , Chapman Deborah F. , Chung Janice , Cramer Merryl , Cosford Nicholas D. P. 
Published: January 2006

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access the actual ChemInform Abstract, please click on HTML or PDF.
Platinum and Palladium Complexes with Metal—Silicon Bonds. New Bonding, Structures, and Chemical Properties
Authors: Osakada Kohtaro , Tanabe Makoto 
Published: January 2006

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access the actual ChemInform Abstract, please click on HTML or PDF.
π‐Conjugated Derivatives Containing Phosphole Rings: Synthesis, Properties and Coordination Chemistry
Authors: Hissler Muriel , Lescop Christophe , Reau Regis 
Published: January 2006

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access the actual ChemInform Abstract, please click on HTML or PDF.
Chromium Tricarbonyl‐Coordinated Carbocations
Authors: Hietbrink Bruce N. , Tantillo Dean J. , Houk Kendall N. , Merlic Craig A. 
Published: January 2006

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access the actual ChemInform Abstract, please click on HTML or PDF.
Shape‐Selective Catalysis over Zeolites: The Isopropylation of Polynuclear Aromatic Hydrocarbons
Authors: Sugi Yoshihiro , Kubota Yoshihiro , Hanaoka Taka‐aki , Matsuzaki Takehiko 
Published: January 2006

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access the actual ChemInform Abstract, please click on HTML or PDF.
Trihalide‐Based Imidazolium Salts as Versatile Reagents for the Halogenation of Unsaturated Compounds in Ionic Liquids
Authors: Chiappe Cinzia , Pieraccini Daniela 
Published: January 2006

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access the actual ChemInform Abstract, please click on HTML or PDF.
Resorcarenes: Hollow Building Blocks for the Host—Guest Chemistry
Authors: Botta Bruno , Cassani Mauro , D'Acquarica Ilaria , Subissati Deborah , Zappia Giovanni , Delle Monache Giuliano 
Published: January 2006

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access the actual ChemInform Abstract, please click on HTML or PDF.
Structural Aspects of 1,2‐Dioxetanes Active Toward Intramolecular Charge‐Transfer‐Induced Chemiluminescent Decomposition.
Authors: Matsumoto Masakatsu , Watanabe Nobuko 
Published: January 2006

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access the actual ChemInform Abstract, please click on HTML or PDF.
Unprotected Oligosaccharides as Phase Tags for Solution‐Phase Glycopeptide Synthesis with Solid‐Phase Work‐up
Authors: Guo Zhongwu 
Published: January 2006

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access the actual ChemInform Abstract, please click on HTML or PDF.
Synthesis of Neu5Ac, KDN, and KDO C‐Glycosides
Authors: Chen Chi‐Chang , Ress Dino , Linhardt Robert J. 
Published: January 2006

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access the actual ChemInform Abstract, please click on HTML or PDF.
Sorption and diffusion of organic vapors in amorphous Teflon AF2400
Authors: Tokarev A. , Friess K. , Machkova J. , Šipek M. , Yampolskii Yu. 
Published: January 2006

AbstractVapor sorption in amorphous Teflon AF2400 of various organic solutes was studied in a wide range of activity at 25 °C by means of the gravimetric technique. The sorption isotherms of hexane, toluene, and chloroform were shown to be concave to the pressure axis and are consistent with the dual mode sorption model (DMS). The parameters of the DMS model kD and b reveal a linear correlation with squared critical temperature of solutes T. The third model parameter, the Langmuir sorption capacity C′H decreases when the size of solutes (critical volume) increases. Sorption isotherms of methanol and ethanol were shown to be convex to the pressure axis and are consistent with cluster formation in this strongly hydrophobic polymer. Concentration‐dependent diffusion coefficients D were determined using a linear implicit difference scheme in analysis of sorption kinetics. It was shown that D values increase exponentially with concentration for all the solutes, except alcohols for which exponential reduction of D(C) was observed. The partitioning of the thermodynamic and mobility contributions in D indicated that the reduction of D values of alcohols is consistent with clustering phenomena in AF2400. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 832–844, 2006
Proposed structural models of the prothrombinase (FXa–FVa) complex
Authors: Autin Ludovic , Steen Mårten , Dahlbäck Björn , Villoutreix Bruno O. 
Published: January 2006

AbstractActivated coagulation factor V (FVa) functions as a cofactor to factor Xa (FXa) in the conversion of prothrombin (PT) to thrombin. This essential procoagulant reaction, despite being the subject of extensive investigation, is not fully understood structurally and functionally. To elucidate the structure of the FXa–FVa complex, we have performed protein:protein (Pr:Pr) docking simulation with the pseudo‐Brownian Pr:Pr docking ICM package and with the shape‐complementarity Pr:Pr docking program PPD. The docking runs were carried out using a new model of full‐length human FVa and the X‐ray structure of human FXa. Five representative models of the FXa–FVa complex were in overall agreement with some of the available experimental data, but only one model was found to be consistent with almost all of the reported experimental results. The use of hybrid docking approach (theoretical plus experimental) is definitively important to study such large macromolecular complexes. The FXa–FVa model we have created will be instrumental for further investigation of this macromolecular system and will guide future site directed mutagenesis experiments. Proteins 2006. © 2006 Wiley‐Liss, Inc.
Simulation testing of automata
Authors: Stannett Mike 
Published: January 2006

Abstract

Although many transducer testing techniques can establish whether a system
Imp
correctly implements a specification
Spec
, the notion of 'correctness' used in this context is often rather weak, in that it fails to distinguish correctly between behaviours that are related functionally, but distinct as processes. By appealing to the process-theoretic notion of (strong) simulation, we develop a theory of transducer, process and FSM testing capable of establishing whether
Imp
is a full simulation of
Spec
. We show, moreover, that our approach is consistent with top–down integration-testing approaches.
Phenotypic heterogeneity in biochemical parameters correlates with mutations in AGPAT2 or Seipin genes among Berardinelli–Seip congenital lipodystrophy patients
Authors: Gomes K. B. , Pardini V. Cavalcanti , Ferreira A. Clayton de Souza , Fernandes A. P. 
Published: January 2006

SummaryThe Berardinelli–Seip congenital lipodystrophy (BSCL) syndrome is characterized by a near‐total congenital absence of fat and predisposition to develop diabetes mellitus. We have previously reported that 22 patients from 16 consanguineous pedigrees living in the northeastern region of Brazil had a homozygous 669insA mutation in the Seipin gene (BSCL2 locus), while all of the 10 investigated subjects from the southeastern region were homozygous for a 1036 bp deletion in the AGPAT2 gene (BSCL1 locus). In this study, we compared the serum insulin and insulin resistance (HOMA), leptin, triglyceride and fasting glucose levels in individuals of these two genetically distinct clusters of BSCL subjects. The onset of diabetes was also estimated. The fasting glucose and triglyceride levels were not significantly different in these groups. Significant differences were detected for leptin, insulin and insulin resistance. BSCL1 patients presented lower serum leptin levels compared to BSCL2 patients. BSCL2 subjects had earlier onset of diabetes and higher insulin levels. In agreement, BSCL2 patients were more insulin resistant, as detected by HOMA. These results indicate phenotypic heterogeneity between BSCL1 and BSCL2 Brazilian subjects.
State regulation and response inhibition in children with ADHD and children with early‐ and continuously treated phenylketonuria: An event‐related potential comparison
Authors: Wiersema J. R. , van der Meere J. J. , Roeyers H. 
Published: January 2006

SummaryBackground: The presentation rate of stimuli plays an important role in explaining the performance inefficiency in children with ADHD. In general, children with ADHD have been found to perform more poorly in conditions of relatively slow event rates as compared with fast and moderate event rates. The state regulation hypothesis states that these children have problems in correcting their energetic state necessary to counteract a performance decrement, which requires extra effort allocation. In this study, we investigated state regulation in children with ADHD and used children with early‐ and continuously treated phenylketonuria (PKU) as a clinical contrast group. Method: We measured the parietal P3 during a Go/No‐Go task that incorporated a condition with a fast and a slow presentation rate. Results: We were able to show that children with ADHD, relative to controls, responded more slowly and more variably in the slow condition only, which was accompanied by a smaller P3, suggesting less effort allocation. In contrast, the children with PKU did not show a state regulation deficit. The PKU group showed prolonged stimulus evaluation processing, as indexed by P3 latency, compared to controls and children with ADHD. In addition, they made more errors of commission than the controls and the ADHD group. Conclusions: Our electrophysiological data support the state regulation hypothesis of ADHD. Only the children with PKU had more problems in inhibiting pre‐potent responding than controls, which is in accord with the prefrontal dysfunction hypothesis of PKU.
Deletion of the Caenorhabditis elegans homologues of the CLN3 gene, involved in human juvenile neuronal ceroid lipofuscinosis, causes a mild progeric phenotype
Authors: de Voer G. , van der Bent P. , Rodrigues A. J. G. , van Ommen G.‐J. B. , Peters D. J. M. , Taschner P. E. M. 
Published: January 2006

SummaryThe CLN3 gene is involved in juvenile neuronal ceroid lipofuscinosis (JNCL), or Batten–Spielmeyer–Vogt disease, a severe hereditary neurodegenerative lysosomal storage disorder characterized by progressive disease pathology, with loss of vision as the first symptom. Another characteristic of JNCL is the lysosomal accumulation of autofluorescent lipopigments, forming fingerprint storage patterns visible by electron microscopy. The function of the CLN3 protein is still unknown, although the evolutionarily conserved CLN3 protein is being functionally analysed using different experimental models. We have explored the potential of the nematode Caenorhabditis elegans as a model for Batten disease in order to bridge the gap between the unicellular yeast and very complex mouse JNCL models. C. elegans has three genes homologous to CLN3, for each of which deletion mutants were isolated. Cln‐3.1 deletion mutants have a decreased lifespan, and cln‐3.2 deletion mutants a decreased brood size. However, the neuronal or movement defects and aberrant lipopigment distribution or accumulation observed in JNCL were not found in the worms. To detect possible redundancy, single deletion mutants were crossed to obtain double and triple mutants, which were viable but showed no JNCL‐specific defects. The cln‐3 triple mutants show a more prominent decrease in lifespan and brood size, the latter most conspicuously at the end of the egg‐laying period, suggesting premature ageing. To focus our functional analysis we examined the C. elegans cln‐3 expression patterns, using promoter–GFP (green fluorescent protein) gene fusions. Fluorescence patterns suggest cln‐3.1 expression in the intestine, cln‐3.2 expression in the hypoderm, and cln‐3.3 expression in intestinal muscle, male‐specific posterior muscle and hypoderm. Further life stage‐ and tissue‐specific analysis of the processes causing the phenotype of the cln‐3 triple mutants may provide more information about the function of the cln‐3 protein and contribute to a better understanding of the basic processes affected in Batten disease patients.
Elevation of plasma aspartylglucosaminidase is a useful marker for the congenital disorders of glycosylation type I (CDG I)
Authors: Jackson M. , Clayton P. , Grunewald S. , Keir G. , Mills K. , Mills P. , Winchester B. , Worthington V. , Young E. 
Published: January 2006

SummaryElevated plasma aspartylglucosaminidase activity was found in 21/25 cases of CDG Ia, in single cases of CDG Ib, Ic and If, and in 15/16 cases of CDG Ix. The CDG I patients in whom the activity was not raised were either atypical clinically (CDG Ia) or very young (CDG Ih).
Methylcrotonyl‐CoA carboxylase (MCC) deficiency associated with severe muscle pain and physical disability in an adult
Authors: Boneh A. , Baumgartner M. , Hayman M. , Peters H. 
Published: January 2006

SummaryWe present a patient with methylcrotonyl‐CoA carboxylase (MCC) deficiency (McKusick 210200) who suffered from severe muscle pain and physical disability, and propose that this disorder be considered in the differential diagnosis of adult patients presenting with muscle pain and weakness.
Smith–Lemli–Opitz syndrome with a classical phenotype, oesophageal achalasia and borderline plasma sterol concentrations
Authors: Haas D. , Armbrust S. , Haas J.‐P. , Zschocke J. , Mühlmann K. , Fusch C. , Neumann L. M. 
Published: January 2006

SummaryThe diagnostic biochemical hallmarks of Smith–Lemli–Opitz syndrome (SLOS) are elevated concentrations of the cholesterol precursors 7‐ and 8dehydrocholesterol (7‐ and 8‐DHC). We describe a patient with classical SLOS phenotype and oesophageal achalasia, which has not been reported in SLOS patients before. Plasma 7‐DHC and 8‐DHC were only marginally elevated. The diagnosis was confirmed by sterol analysis in cultured skin fibroblasts and mutation analysis.
Rhabdomyolysis in early‐onset very long‐chain acyl‐CoA dehydrogenase deficiency despite normal glucose after fasting
Authors: Engbers H. M. , Dorland L. , De Sain M. G. M. , Eskes P. F. , Visser G. 
Published: January 2006

SummaryA patient with very long‐chain acyl‐CoA dehydrogenase (VLCAD) deficiency presented in the neonatal period with hypoketotic hypoglycaemia and at the age of 1 year with rhabdomyolysis and normal glucose after fasting. Rhabdomyolysis may occur in the absence of hypoglycaemia in young infants as well as in older patients.
Analysis of polyols in urine by liquid chromatography–tandem mass spectrometry: A useful tool for recognition of inborn errors affecting polyol metabolism
Authors: Wamelink M. M. C. , Smith D. E. C. , Jakobs C. , Verhoeven N. M. 
Published: January 2006

SummarySeveral inborn errors of metabolism with abnormal polyol concentrations in body fluids are known to date. Most of these defects can be diagnosed by the assessment of urinary concentrations of polyols. We present two methods using tandem mass spectrometry for screening for inborn errors affecting polyol metabolism. Urine samples supplemented with internal standards ([13C4]erythritol, [13C2]arabitol and [2H3]sorbitol) were desalted by a mixed‐bed ion‐exchange resin. Separation was achieved by two different columns. Sugar isomers could not be separated using a Prevail Carbohydrate ES 54 column (method 1), whereas with the other column (Aminex HPX‐87C) separation of the isomers was achieved (method 2). Multiple reaction monitoring polyol detection was achieved by tandem mass spectrometry with an electron ion‐spray source operating in the negative mode. Age‐related reference ranges of polyols (erythritol, treitol, arabitol, ribitol, xylitol, galactitol, mannitol, sorbitol, sedoheptitol and perseitol) in urine were established. The applicability of the method was demonstrated by the abnormal polyol concentrations observed in patients with transaldolase deficiency, ribose‐5‐phosphate isomerase deficiency and classical galactosaemia. This paper describes two methods for the analysis of urinary polyols by liquid chromatography–tandem mass spectrometry. Method 1 is a fast screening method with the quantification of total isomers and method 2 is a more selective method with the separate quantification of the polyols. Both methods can be used for diagnosing inborn errors of metabolism affecting polyol metabolism.
Methylmalonic aciduria: Follow‐up and enzymology on the original case after 36 years
Authors: Bain M. D. , Till J. , Jones M. G. , Besley G. T. N. , Lee P. , Oliveira D. , Chalmers R. A. 
Published: January 2006

SummaryA 36‐year follow‐up on the original patient described with methylmalonic aciduria has shown that she has methylmalonyl‐CoA apomutase deficiency. The main clinical problem associated with her methylmalonic aciduria is progressive renal impairment requiring commencement of haemodialysis at 42 years of age.
Computation of recurrent minimal genomic alterations from array-CGH data
Authors: Rouveirol C. , Stransky N. , Hupé Ph. , Rosa Ph. La , Viara E. , Barillot E. , Radvanyi F. 
Published: January 2006

Abstract
Motivation: The identification of recurrent genomic alterations can provide insight into the initiation and progression of genetic diseases, such as cancer. Array-CGH can identify chromosomal regions that have been gained or lost, with a resolution of ∼1 mb, for the cutting-edge techniques. The extraction of discrete profiles from raw array-CGH data has been studied extensively, but subsequent steps in the analysis require flexible, efficient algorithms, particularly if the number of available profiles exceeds a few tens or the number of array probes exceeds a few thousands.
Results: We propose two algorithms for computing minimal and minimal constrained regions of gain and loss from discretized CGH profiles. The second of these algorithms can handle additional constraints describing relevant regions of copy number change. We have validated these algorithms on two public array-CGH datasets.
Availability: From the authors, upon request.
Contact: celine@lri.fr
Supplementary information: Supplementary data are available at Bioinformatics online.
Discontinuous epitope prediction based on mimotope analysis
Authors: Moreau Violaine , Granier Claude , Villard Sylvie , Laune Daniel , Molina Franck 
Published: January 2006

Abstract
Motivation: Phage display is a widespread technique used to obtain peptide mimotopes selected by binding to a given monoclonal antibody in a similar way as the native epitope. However, the localization of the interaction site mimicked by the mimotopes on the surface of the antigen is not always a straightforward task. MIMOP is a computational tool developed with the aim of helping experimentalists to analyze a set of mimotope sequences and guide them in the identification of the mimicked region.
Results: To predict potential epitopic regions, MIMOP integrates two different approaches combining two- and three-dimensional analyses: MimAlign starts from degenerated alignment analyses, and MimCons is based on consensus identification. The relevance and usefulness of the tool are illustrated by four use cases corresponding to real-life situations.
Availability: upon request.
Contact: franck.molina@cpbs.univ-montp1.fr
Novel technique for preprocessing high dimensional time-course data from DNA microarray: mathematical model-based clustering
Authors: Hakamada Kazumi , Okamoto Masahiro , Hanai Taizo 
Published: January 2006

Abstract
Motivation. Classifying genes into clusters depending on their expression profiles is one of the most important analysis techniques for microarray data. Because temporal gene expression profiles are indicative of the dynamic functional properties of genes, the application of clustering analysis to time-course data allows the more precise division of genes into functional classes. Conventional clustering methods treat the sampling data at each time point as data obtained under different experimental conditions without considering the continuity of time-course data between time periods t and t +1. Here, we propose a method designated mathematical model-based clustering (MMBC).
Results: The proposed method, designated MMBC, was applied to artificial data and time-course data obtained using Saccharomyces cerevisiae. Our method is able to divide data into clusters more accurately and coherently than conventional clustering methods. Furthermore, MMBC is more tolerant to noise than conventional clustering methods.
Availability: Software is available upon request.
Contact: taizo@brs.kyushu-u.ac.jp
Context‐dependent mutations predominate in an engineered high‐affinity single chain antibody fragment
Authors: Midelfort Katarina S. , Wittrup K. Dane 
Published: January 2006

AbstractA mutational analysis of the femtomolar‐affinity anti‐fluorescein antibody 4M5.3, compared to its wild‐type progenitor, 4‐4‐20, indicates both context‐dependent and ‐independent mutations are responsible for the 1800‐fold affinity improvement. 4M5.3 was engineered from 4‐4‐20 by directed evolution and contains 14 mutations. The seven mutations identified as present in each of 10 final round affinity maturation clones were studied here. Affinities of the 4‐4‐20 single mutant addition and 4M5.3 single site reversion mutants were compared. These experiments identified four mutations, of these seven, that were context‐dependent in their contribution to higher affinity. A simplified mutant containing only these seven mutations was created to analyze complete double mutant cycles of selected sets of mutations. Specific mutational sets studied included the ligand contact mutations, the heavy chain CDR3 mutations, the heavy chain CDR3 mutations plus the neighboring residue at site H108, and the early and late acquired mutations on the directed evolution pathway. The heavy chain CDR3 mutational set and the ligand‐contacting mutations were shown to provide −1.4 and −2.0 kcal/mol, respectively, of the total −3.5 kcal/mol change in free energy of binding of the seven‐site consensus mutant. The mutations acquired late in the directed evolution rounds provided much of the change in free energy without the earlier acquired mutations (−3.1 kcal/mol of the total −3.5 kcal/mol). Prior structural data and electrostatic calculations presented several hypotheses for the higher affinity contributions, some of which are supported by these mutational data.