bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular recognition mechanism of FK506 binding protein: An all‐electron fragment molecular orbital study
Authors: Nakanishi Isao , Fedorov Dmitri G. , Kitaura Kazuo 
Published: March 2007

AbstractThe fragment molecular orbital (FMO) method has enabled electronic structure calculations and geometry optimizations of very large molecules with ab initio quality. We applied the method to four FK506 binding protein (FKBP) complexes (denoted by their PDB codes 1fkb, 1fkf, 1fkg, and 1fki) containing rapamycin, FK506, and two synthetic ligands. The geometries of reduced complex models were optimized at the restricted Hartree–Fock (FMO‐RHF) level using the 3‐21G basis set, and then for a better estimate of binding, the energetics were refined at a higher level of theory (2nd order Møller–Plesset perturbation theory FMO‐MP2 with the 6‐31G* basis set). Thus, obtained binding energies were −103.9 (−82.0), −102.2 (−69.2), −70.1 (−57.7), and −71.3 (−55.3) kcal/mol for 1fkb, 1fkf, 1fkg, and 1fki, respectively, where the correlation contribution is given in parentheses. The results show that the electron correlation contribution to binding is extremely important, and it accounts for 70–80% of the binding energy. The molecular recognition mechanism of FKBP was analyzed in detail based on the FMO‐pair interactions between protein residues and the ligands. Solvation effects on the protein–ligand binding were estimated using the Poisson–Boltzmann/surface area model. Proteins 2007. © 2007 Wiley‐Liss, Inc.
Residual toxicity of two insecticides on three field populations of Lygus lineolaris (Hemiptera: Miridae) collected along the St Lawrence valley in eastern Canada
Authors: Fleury Dominique , Bostanian Noubar J , Mauffette Yves , Vincent Charles 
Published: March 2007

AbstractInsecticides are still the single main pest control method employed today by most growers to mitigate damage done by the tarnished plant bug, Lygus lineolaris (Palisot de Beauvois) (Hemiptera: Miridae). In eastern Canada, the complex agricultural ecosystem, which may be described as a mosaic of farmlands dispersed among natural habitats (forest, prairies), allows tarnished plant bug adults to fly and move from sprayed to non‐sprayed areas. In 2004 (late August to early September), three populations of L. lineolaris were collected from three mixed vegetation strips adjacent to orchards and vineyards along the St Lawrence valley: the Niagara Peninsula (Ontario), Dunham (Quebec) and La Pocatière (Quebec). Assays were done in the laboratory by confining adults in glass vials coated with dried residues. The estimated LC50 values for the three populations varied from 11.2 to 16.8 × 10−5 g L−1 for azinphos‐methyl and from 0.8 to 1.4 × 10−5 g L−1 for cypermethrin. In contrast to the Mississippi delta, no tolerance to insecticides was found in the populations collected. Possible explanations for this non‐tolerance to insecticides includes a very low selection pressure as a result of the reduced number of insecticide treatments done in the context of the diversified agricultural landscapes encountered in eastern Canada which allow movements of adults from treated to non‐treated areas. Copyright © 2007 Society of Chemical Industry
Performance comparison of rough‐terrain robots—simulation and hardware
Authors: Thueer Thomas , Krebs Ambroise , Siegwart Roland , Lamon Pierre 
Published: March 2007

AbstractThe design of a rover for a specific environment is a complex procedure which requires modeling a chassis and evaluating it with specific criteria. This is the aim of the performance optimization tool (POT) presented in this paper. The POT enables the comparison and optimization of a rover chassis in a quick and efficient way. The tool is based on a static approach including optimization of the wheel torques in order to maximize traction. Tests with real hardware were performed to validate the POT. Two different rovers, CRAB and RCL‐E, were assessed in simulation and hardware with respect to specific, well defined metrics. In simulation, their performances were compared to the rocker‐bogie‐type rover MER. CRAB and MER showed similar performance, while RCL‐E had significant problems with the benchmark obstacle. A very good match between simulation results and real measurements was achieved. © 2007 Wiley Periodicals, Inc.
The diameter of randomly perturbed digraphs and some applications
Authors: Flaxman Abraham D. , Frieze Alan M. 
Published: March 2007

AbstractThe central observation of this paper is that if εn random arcs are added to any n‐node strongly connected digraph with bounded degree then the resulting graph has diameter 𝒪(lnn) with high probability. We apply this to smoothed analysis of algorithms and property testing.Smoothed Analysis: Recognizing strongly connected digraphs is a basic computational task in graph theory. Even for digraphs with bounded degree, it is NL‐complete. By XORing an arbitrary bounded degree digraph with a sparse random digraph R ∼ 𝔻n,ε/n we obtain a “smoothed” instance. We show that, with high probability, a log‐space algorithm will correctly determine if a smoothed instance is strongly connected. We also show that if NL ⫅̸ almost‐L then no heuristic can recognize similarly perturbed instances of (s,t)‐connectivity.Property Testing: A digraph is called k‐linked if, for every choice of 2k distinct vertices s1,…,sk,t1,…,tk, the graph contains k vertex disjoint paths joining sr to tr for r = 1,…,k. Recognizing k‐linked digraphs is NP‐complete for k ≥ 2. We describe a polynomial time algorithm for bounded degree digraphs, which accepts k‐linked graphs with high probability, and rejects all graphs that are at least εn arcs away from being k‐linked. © 2007 Wiley Periodicals, Inc. Random Struct. Alg., 2007
Comparative whole-grain intake of British adults in 1986–7 and 2000–1
Authors: Thane Christopher W. , Jones Angela R. , Stephen Alison M. , Seal Christopher J. , Jebb Susan A. 
Published: March 2007

Epidemiological evidence suggests that higher consumption of whole-grain foods can significantly reduce the risk of chronic diseases such as CVD, type 2 diabetes and some cancers. The present study compares whole-grain intake of 2086 adults aged 16–64 years from the 1986–7 Dietary and Nutritional Survey of British Adults with that of 1692 adults aged 19–64 years from the 2000–1 National Diet and Nutrition Survey. For each survey, whole-grain intake was estimated from consumption of all foods containing ≥ 10 % whole-grain content (as DM/fresh weight of food) from 7 d weighed dietary records. In 1986–7, median whole-grain intake was 16 (interquartile range 0–45) g/d v. 14 (interquartile range 0–36) g/d in 2000–1 (P < 0·001). In 1986–7, 77 % of adults had less than three 16 g amounts of whole-grain intake/d; 25 % reported no whole-grain intake. In 2000–1, corresponding percentages were 84 and 29 %, respectively. Foods with < 51 % whole-grain content provided 18 % of whole-grain intake in 1986–7 v. 27 % in 2000–1 (P < 0·001). In both surveys, whole-grain intake was significantly lower among adults with a manual v. non-manual occupation (indicative of lower socio-economic status) and among smokers v. non-smokers, independent of occupational social class. In 1986–7, whole-grain breakfast cereals and wholemeal bread contributed 28 and 48 % of whole-grain intake, respectively, v. 45 and 31 % in 2000–1. At each time, one-third of adults consumed neither of these two largest contributors to whole-grain intake. Findings from the present study suggest that whole-grain intake of British adults was low in 1986–7 and became even lower over the subsequent decade.
Relevance of apple consumption for protection against oxidative damage induced by hydrogen peroxide in human lymphocytes
Authors: Maffei Francesca , Tarozzi Andrea , Carbone Fabio , Marchesi Alessandra , Hrelia Silvana , Angeloni Cristina , Cantelli Forti Giorgio , Hrelia Patrizia 
Published: March 2007

In a single-dosing crossover study, we investigated the ability of apple fruit consumption to protect human lymphocytes against peroxide-induced damage to DNA. Six healthy, non-smoking male volunteers were placed for 2 d on an antioxidant-poor (AP) diet. After 48 h of AP diet, the volunteers were required to consume a homogenate obtained from 600 g of red delicious unpeeled apples or water (500 ml); blood samples were collected 0, 3, 6 and 24 h post-consumption. To evaluate whether the apple intake was sufficient to restore resistance of DNA to oxidative damage, for each subject at any time point the plasma total antioxidant activity, reactive oxygen species (ROS) formation and induction of micronuclei (MN) in isolated lymphocytes following hydrogen peroxide (H2O2) treatment were measured. Results indicated a significant inhibition (58 %, P < 0·05) of H2O2-induced MN frequency in the plasma samples collected at 3 h after apple consumption, as compared with plasma samples collected at 0 h (4·17 (sd 1·83) v. 9·85 (sd 1·87) MN/1000 binucleated (BN) cells, respectively). A gradual return towards the value observed at 0 h was recorded starting from 6 to 24 h. MN frequency induced by H2O2 was significantly influenced by plasma total antioxidant activity (r = –0·95, P < 0·05) and by the increase of intracellular ROS formation (r = 0·88, P < 0·05). These findings suggest that the consumption of whole apple provides a useful dietary source of active scavengers to protect cells and tissue from oxidative stress and related DNA injury.
Products formed during fermentation of the prebiotic inulin with humangut flora enhance expression of biotransformation genes in human primarycolon cells
Authors: Sauer Julia , Richter Konrad Klaus , Pool-Zobel Beatrice Louise 
Published: March 2007

Inulin-type fructans are fermented by gut bacteria to yield SCFA, including butyrate which is trophic for colonocytes and induces glutathioneS-transferases (GST) that detoxify carcinogens. Since little is known on similar effects by complex fermentation samples, we studied related products in non-transformed human colonocytes. Inulin enriched with oligofructose (1 : 1, Synergy1) was fermented with human gut flora. SCFA were quantified and a SCFA mixture was prepared accordingly. Colonocytes were incubated (4–12 h) with the Synergy1 fermentation supernatant (SFS), faeces control, a mixture of the three major SCFA (each 0–15 %, v/v) or butyrate (0–50 mm). Metabolic activity was determined to assess trophic effects and cytotoxicity. Expression of ninety-six genes related to biotransformation was studied using cDNA macroarrays. Results on modulated GST were reassessed with real-time PCR and GST activity was measured. Fermentation of inulin resulted in 2–3-fold increases of SCFA. The samples were non-cytotoxic. SFS increased metabolic activity, pointing to trophic effects. The samples modulated gene expression with different response patterns. Key results were thatGSTM2(2·0-fold) andGSTM5(2·2-fold) were enhanced by SFS, whereas the SCFA mixture reduced expression. The faeces control enhancedGSTA4(2·0-fold), but reducedGSTM2(0·2-fold) andGSTM5(0·2-fold). Real-time qPCR confirmed the induction ofGSTM2andGSTM5by SFS and ofGSTA4andGSTT2by butyrate. Activity of GST was not modulated. High concentrations of fermentation products were well tolerated by primary colonocytes, pointing to trophic effects. The induction of GST by the SFS may protect the cells from carcinogenic compounds.
Treatment with anti‐TNFα does not induce reactivation of latent Salmonella enterica serovar Typhimurium infection in C3H/HeN mice
Authors: Van Diepen A. , Martina C. A. E. , Flierman R. , Janssen R. , Van Dissel J. T. 
Published: March 2007

AbstractTherapy with tumour necrosis factor‐α (TNFα)‐blocking agents is successful in treating inflammatory disorders, but carries an increased risk of manifest and reactivating infection with intracellular bacteria. In a mouse model of latent Salmonella typhimurium infection, neutralization of TNFα did not result in reactivation of infection, suggesting only a minor role for TNFα during latency of persistent Salmonella infection.
Life satisfaction in older people
Authors: Kudo Hisashi , Izumo Yuji , Kodama Hiroko , Watanabe Makoto , Hatakeyama Reiko , Fukuoka Yumiko , Kudo Hideaki , Yaegashi Yukoh , Sasaki Hidetada 
Published: March 2007

Objective:  Factors influencing life satisfaction were studied in a cohort study.Methods:  Life satisfaction was measured using the Philadelphia Geriatric Center (PGC) morale scale. Two thousand one hundred and fifty‐one older people, approximately 99% of all older people (2165 subjects) in a rural town, Tashiro, Akita prefecture responded to the questionnaire and, after eliminating 455 for incomplete answers, 1710 subjects (79% of all older people) were entered into the present study. Approximately 10% were self‐care dependent older people.Results:  Female self‐care independent older people showed lower morale scores than men. Morale scores in self‐care independent older people decreased with age in both women and men. Morale scores of self‐care independent men were higher when they were healthy, had an occupation and took part in social activities in the community; morale scores of self‐care independent women were higher when they were healthy and had hobbies. Family composition, self‐care dependency, income and habits for health promotion were also factors of morale scores, while education was not.Conclusions:  Healthy older persons with some gender specific lifestyles had the higher morale scores. With advanced age, lifestyles do not determine the morale scores.
Characterization of eight polymorphic microsatellite markers in the tarnished plant bug, Lygus lineolaris (Palisot de Beauvois)
Authors: PERERA O. P. , SNODGRASS G. L. , SCHEFFLER B. E. , GORE J. , ABEL C. A. 
Published: March 2007

AbstractA partial genomic library of the tarnished plant bug, Lygus lineolaris, enriched for microsatellite sequences was screened to identify marker loci. Eight polymorphic loci suitable for population genetic studies were identified by screening 192 field‐collected insects. The observed number of alleles ranged from four to 21 with an average of 12.25 (SE ± 1.94) while the effective number of alleles ranged from 1.23 to 11.05 with an average of 4.49 (SE ± 1.15). No linkage disequilibria or significant deviations from Hardy–Weinberg expectations were detected at any of the loci. Seven of the eight L. lineolaris microsatellite loci were transferable to Lygus hesperus.
Isolation and characterization of 150 novel microsatellite markers for Zhikong scallop (Chlamys farreri)
Authors: ZHAN AIBIN , BAO ZHENMIN , HU XIAOLI , HUI MIN , WANG MINGLING , PENG WEI , ZHAO HAIBO , HU JINGJIE 
Published: March 2007

AbstractWe isolated and characterized 150 novel microsatellite markers of Zhikong scallop (Chlamys farreri) from three simple sequence repeat‐enriched libraries constructed with (GA)15 and (CA)15. The polymorphism was assessed with 48 individuals, and the result showed the number of allele ranged from two to 30, with an average of 8.4 alleles/locus. The values of observed and expected heterozygosities ranged from 0.0791 to 0.9878 and from 0 to 1.0000, respectively. Sixty‐five loci showed significant departure from Hardy–Weinberg equilibrium, and 14 locus pairs displayed linkage disequilibrium. These markers are therefore potentially useful for conservation studies, population structure assessment, ecological analyses and linkage map construction.
Duration of Postictal Psychotic Episodes
Authors: Adachi Naoto , Ito Masumi , Kanemoto Kousuke , Akanuma Nozomi , Okazaki Mitsutoshi , Ishida Shiro , Sekimoto Masanori , Kato Masaaki , Kawasaki Jun , Tadokoro Yukari , Oshima Tomonori , Onuma Teiichi 
Published: March 2007

Summary:  Purpose: To clarify duration of postictal psychosis (PIP) episodes and identify factors that influence its duration. Methods: Fifty‐eight patients with epilepsy exhibited 151 PIP episodes during a mean follow‐up period of 12.8 years. Distribution of the duration of these episodes was determined, and factors potentially affecting were analyzed. Factors analyzed included PIP‐related variables (i.e., antecedent seizures and the lucid interval) and patient characteristics (i.e., type of epilepsy, lateralization of EEG abnormalities, and intellectual functioning). Results: The mean duration of the 58 first PIP episodes was 10.5 days, and that of all 151 PIP episodes (including multiple episodes) was 9.2 days. Approximately 95% of the PIP episodes resolved within 1 month. Most PIP‐related variables, except for antipsychotic drugs administered, were not associated with duration of the episodes. Several patient characteristics, i.e., history of interictal psychosis, family history of psychosis, and intellectual functioning, were associated with duration of the PIP episodes. Conclusions: This study showed that most PIP episodes last less than 1 month. PIP episodes appear to be prolonged when individuals have an underlying vulnerability to psychosis. Clinical phenomena that can trigger PIP may not determine the course of the PIP episode.
Gender Differences in Neurocognitive Functioning Among Alcohol‐Dependent Russian Patients
Authors: Flannery Barbara , Fishbein Diana , Krupitsky Evgeny , Langevin Doris , Verbitskaya Elena , Bland Cynthia , Bolla Karen , Egorova Valentina , Bushara Natali , Tsoy Marina , Zvartau Edwin 
Published: March 2007

Background:There are a limited number of studies that have examined gender differences in the neurocognitive test performances of alcohol‐dependent individuals. Those that have been conducted reported that compared with men, women's visuospatial skills, psychomotor speed, and working memory are more profoundly affected by chronic alcohol abuse despite a shorter duration of drinking and a lesser quantity of alcohol consumed.Methods:The performances of Russian male and female alcoholic and nonalcoholic control subjects were compared on a series of neurocognitive tasks that assess motor speed, visuoperceptual processing, visuospatial processing, decision making, and cognitive flexibility.Results:Group and gender differences emerged on specific components of each task administered. Female compared with male alcoholic subjects exhibited poorer performances on tests of visual working memory, spatial planning and problem solving, and cognitive flexibility.Conclusion:The data support and extend prior research demonstrating a more deleterious impact of alcohol dependence on female alcoholic subjects' cognitive functioning compared with male alcoholic subjects. Several theories are offered to account for gender differences in neurocognitive performance.
Assessment of a Novel Angiographic Image Stabilization System for Percutaneous Coronary Intervention
Authors: BOYLE ANDREW J. , CHAN MICHAEL Y. , DIB JOUD , KAPUR NAVIN K. , KRAFT SANDRA , VAILLANT REGIS , WHITING JAMES S. , RESAR JON R. 
Published: March 2007

Background: Optimization of coronary images for percutaneous coronary intervention (PCI) remains difficult due to cardiac motion throughout the respiratory and cardiac cycles. We tested a novel system to stabilize angiographic images at the region of interest in order to assist during PCI.
Methods: Patients undergoing PCI to the right coronary artery (RCA) (group 1, n = 22) or complex PCI (group 2, n = 16) were prospectively enrolled and the angiographic image sequences of patients who died suddenly of confirmed or presumed stent thrombosis following PCI (group 3, n = 16) were retrospectively reviewed. All image sequences were analyzed off‐line by three cardiologists before and after image stabilization for accuracy of stent placement, presence of residual edge dissection, and adequacy of procedural outcome.
Results: Image stabilization was successful in 100% of cases in a mean time of 95 ± 71 seconds and was considered to be helpful in 13.6% of group 1, in 18.3% of group 2, and in 10% of group 3 cases. There was good correlation between observers with a kappa statistic of 0.85 to 1.0 for all observations. However, there was no difference in the reviewers' opinions of stent placement, presence of edge dissection, or adequacy of procedural result when comparing the standard angiographic views and the stabilized images. In particular, no previously unrecognized edge dissections were apparent in group 3 with stabilized display.
Conclusion: Image stabilization centered on the region of interest was considered helpful in a small subset of patients, particularly the complex PCI patients. However, no differences in objective parameters could be demonstrated.
Drug‐Eluting Stents Versus Bare Metal Stents Following Rotational Atherectomy for Heavily Calcified Coronary Lesions: Late Angiographic and Clinical Follow‐Up Results
Authors: KHATTAB AHMED A. , OTTO ANDREAS , HOCHADEL MATTHIAS , TOELG RALPH , GEIST VOLKER , RICHARDT GERT 
Published: March 2007

Objectives: To study the effectiveness of drug‐eluting stents following rotablation of severely calcified lesions.
Background: Drug‐eluting stents are increasingly showing promising results in complex lesions and high‐risk patients. Heavily calcified stenoses have not been adequately studied, and form a challenge both for the immediate and late outcomes.
Methods: Single‐center prospective study among 27 patients treated by rotablation followed by a drug‐eluting stent implantation for angiographically heavily calcified lesions, compared with a historical control of 34 patients treated by rotablation followed by bare stent implantation for the same indication. The primary endpoint was the late lumen loss at 9 months; secondary endpoints were binary restenosis and major adverse cardiac events at 9 months. A 2‐year follow‐up directed to death and myocardial infarction was added.
Results: Both groups were comparable regarding baseline and procedural characteristics. Angiographic success was 100% for both groups. At 9 months, there was a significant difference in the late lumen loss (0.11 ± 0.7 mm in the DES group and 1.11 ± 0.9 mm in the BMS group, P = 0.001). This difference was manifest in the clinical event rates at late follow‐up (combined incidence of death due to any cause, MI, and TLR was 7.4% in the DES group and 38.2% in the BMS group; P = 0.004). At 2 years, there were 5 deaths in each group (P = 0.5) and 2 infarctions in the BMS group versus none in the DES group (P = 1.0).
Conclusion: The combination of rotablation and drug‐eluting stent implantation (Rota‐DES) has a favorable effect on clinical and angiographic outcomes at 9 months when treating heavily calcified lesions compared to rotablation followed by bare metal stent implantation. No safety concerns are observed at 2 years.