bluuebunny/crossref_metadata_2025 huggingface dataset:
The striatal dopamine transporter in first-episode, drug-naive schizophrenic patients: evaluation by the new SPECT-ligand[99mTc]TRODAT-1
Authors: Schmitt G. J. E , Meisenzahl E. M. , Frodl T. , La Fougère C. , Hahn K. , Möller H- J. , Dresel S.
Published: September 2005

Following the current hypothesis that acute schizophrenic psychotic illness is associated with a striatal ‘hyperdopaminergic state’, presynaptic integrity and dopamine transporter (DAT) density in first-episode, neuroleptic-naive schizophrenic patients was measured by single-photon-emission-tomography (SPECT) and compared with that in healthy control subjects. A new SPECT-ligand for assessment of the striatal DAT, the Technetium-99m-labelled tropane TRODAT-1 ([99mTc]TRODAT-1), was used. Ten inpatients suffering from a first acute schizophrenic episode and 10 age- and sex-matched healthy control subjects underwent SPECT with [99mTc]TRODAT-1. On the day of SPECT, psychopathological ratings were performed with the Brief Psychiatric Rating Scale (BPRS), the Positive and Negative Syndrome Scale (PANSS) and Schedule for Assessment of Negative Symptoms (SANS). Patients had not previously received any neuroleptic or antidepressant medication. Mean specific TRODAT-1 binding in the striatum did not differ significantly between the patient and the age- and sex-matched control group (1.25 vs. 1.28). Variance was significantly higher in the patient group. The data obtained with the new ligand in first-episode, drug-naive schizophrenic patients are in line with the PET results from the group of Laakso et al. in a comparable patient sample. [99mTc]TRODAT-1 seems to be a valuable new SPECT-ligand in the evaluation of the presynaptic site of the striatal dopaminergic synapse in schizophrenia.
Blinking and schizotypal thinking
Authors: Mohr C. , Sándor P. S. , Landis T. , Fathi M. , Brugger P.
Published: September 2005

Spontaneous eye blink rate (SBR) is thought to be a biological marker for cerebral dopamine (DA) activity. Accordingly, positive psychotic symptoms have been found to be associated with an increased SBR and negative psychotic symptoms with a decreased SBR. However, modulations of the DA system in patient populations also result from prior neuroleptic treatment. Here, we tested the possible relationship between SBR and positive and negative schizotypal thought. To test the direct influence of DA on SBR in general and as a function of schizotypy, half of a sample of 40 healthy men received levodopa and the other half placebo in a double-blind procedure. SBR did not differ between substance groups suggesting that a pharmacologically induced DA increase in healthy individuals does not generally increase SBR. However, in the levodopa group, increasing SBR correlated with increasing negative schizotypy scores, while no relationship was found between SBR and (1) negative schizotypy in the placebo group, or (2) positive schizotypy in either substance group. We conjecture that a pre-existing hypodopaminergic state in high negative schizotypy scorers, made these individuals susceptible to an increased DA concentration, as it has been observed in Parkinson’s disease. Furthermore, the absence of any relationship in the placebo group might suggest that variations in DA concentration as a function of schizotypy are too subtle to influence SBR. Finally, the lack of any association of SBR with positive schizotypy might indicate that SBR and positive schizotypy are mediated by functionally distinct neural circuits
Metabolic side effects of atypical antipsychotics in children: a literature review
Authors: Fedorowicz Valérie J. , Fombonne Eric
Published: September 2005

The objective of this review is to summarize the data about metabolic side effects of atypical antipsychotics in children.

Original research articles about side effects of atypical antipsychotics used in children were reviewed. The data was obtained mainly through Medline searches, identifying articles focusing on the use of atypical antipsychotics in children. Forty studies that addressed the issue of metabolic side effects were selected.

The use of atypical antipsychotics in children has been consistently associated with weight gain and moderate prolactin elevation, while only a few case reports address the issue of glucose dysregulation and dyslipidaemia. The risk of weight gain and hyperprolactinaemia might be higher in younger children. Other risk factors have also been associated with antipsychotic-induced metabolic disturbances. These changes seem to be reversible, at least in some cases.

Metabolic side effects of atypical antipsychotics could lead to serious complications in children who are prescribed these medications. Serious considerations should be given before initiating treatment and consistent clinical monitoring is essential. More research is needed, especially regarding glucose dysregulation and dyslipidaemia.
Civic respect, political liberalism, and non-liberal societies
Authors: Neufeld Blain
Published: September 2005

One prominent criticism of John Rawls’s The Law of Peoples is that it treats certain non-liberal societies, what Rawls calls ‘decent hierarchical societies’, as equal participants in a just international system. Rawls claims that these non-liberal societies should be respected as equals by liberal democratic societies, even though they do not grant their citizens the basic rights of democratic citizenship. This is presented by Rawls as a consequence of liberalism’s commitment to the principle of toleration. A number of critics have claimed that Rawls’s treatment of these non-liberal societies is symptomatic of a more general problem with political liberalism, namely, its reliance on toleration as its ‘fundamental principle’. Against this view, I argue that the principle of toleration should not be understood as political liberalism’s ‘fundamental principle’. This is revealed through a consideration of the normative basis of what Rawls calls the ‘Liberal Principle of Legitimacy’. A correct understanding of political liberalism’s ‘fundamental principle’, which I claim is a principle of equal ‘civic respect’ for citizens, shows that Rawls’s toleration of non-liberal societies is in fact a misapplication of political liberalism to the global domain. Moreover, I explain that political liberalism must assert that the principle of equal civic respect for citizens is the correct principle to govern the public political relations of citizens in all pluralist societies, and that most ‘decent hierarchical societies’ are pluralist in nature. Identifying political liberalism’s fundamental principle as that of equal civic respect for citizens helps to render political liberalism, in both the domestic and international domains, a more coherent and compelling approach to thinking about fundamental political issues.
Emotional Intelligence or Emotional Blackmail
Authors: Leung Alicia S.M.
Published: September 2005

This article aims to understand what leaders should do to best support the success of a self-managing work team. The results suggest that the western concept of emotional intelligence in leadership is ineffective when applied to a Chinese setting. The article provides insights into the obligations and responsibilities of Chinese leaders and helps explain some of the potential conflicts arising from misplaced emotions felt towards followers. The study, which was based on an intensive investigation of a professional-service firm over a four-year period, was conducted in two phases. Phase one involved the observation of work behavior while phase two involved extensive interviews. The findings highlight how difficult it is for emotionally intelligent leaders to motivate followers, and identify tensions that stem from pressures on businesses in a dynamic work environment. The results and their implications for future studies of emotional intelligence in Chinese organizations are discussed.
Does the Use of English-language Questionnaires in Cross-national Research Obscure National Differences?
Authors: Harzing Anne-Wil
Published: September 2005

Cross-national research is plagued by many obstacles. This article focuses on one of these obstacles: the fact that research in more than one country usually involves respondents with different native languages. We investigated whether the language of the questionnaire influences response patterns. More specifically we tested whether responding in a common language (English) leads to a homogenization of responses across countries, hence obscuring national differences. We tested this hypothesis with a sample of 3419 undergraduate students in 24 countries. Half the students in each country received an English-language questionnaire, while the other half received the same questionnaire in their native language. Three types of questions were included in the questionnaire: questions about cultural norms and values, questions about characteristics of the ideal type of jobs that students would prefer after graduation, and questions about the reasons for choosing particular electives in their studies. Differences across countries were considerably smaller for nearly all questions when the English-language questionnaire was used. Consequences and recommendations for cross-national research and management are discussed.
What’s New?
Authors: Glatter Ron , Castle Frances , Cooper Deborah , Evans Jennifer , Woods Philip A.
Published: September 2005

In this article we ask ‘how can we judge whether a policy initiative produces innovation?’. We focus first on the concept of innovation, touching on some aspects of its recent development, noting a resurgence of interest in it over the past few years in the schools policy field in England and proposing a tentative definition. We then refer to the national initiative known as Diversity Pathfinders (DP), of which we are conducting an evaluation, and briefly consider the implications of the idea of ‘pathfinding’ and related notions. Finally we describe some possible examples of innovations from our DP case studies and draw some conclusions for thinking about and researching innovations.
Influence of the type of factor VIII concentrate on the incidence of factor VIII inhibitors in previously untreated patients with severe hemophilia A
Authors: Goudemand Jenny , Rothschild Chantal , Demiguel Virginie , Vinciguerrat Christine , Lambert Thierry , Chambost Hervé , Borel-Derlon Annie , Claeyssens Ségolène , Laurian Yves , Calvez Thierry ,   the members of the FVIII-LFB and Recombinant FVIII study groups
Published: September 2005

Inhibitor development is the major treatment complication in children with severe hemophilia A. It is not clear whether the risk of inhibitors is higher with recombinant factor VIII or with plasma-derived factor VIII. We used multivariate analysis to compare 2 cohorts of previously untreated patients (PUPs) with severe hemophilia A: 62 patients treated with the same brand of high-purity plasma-derived FVIII (pFVIII) containing von Willebrand factor (VWF) and 86 patients treated with full-length recombinant FVIII (rFVIII). In addition to the usual end points (all inhibitors, high inhibitors), we also examined a third end point (high inhibitors and/or immune tolerance induction). The risk of inhibitor development was higher in patients treated with rFVIII than in patients treated with pFVIII, regardless of other risk factors (F8 genotype; nonwhite origin; history of inhibitors in patients with a family history of hemophilia; age at first FVIII infusion). The adjusted relative risk (RRa) for inhibitor development with rFVIII versus pFVIII was 2.4 (all inhibitors), 2.6 (high inhibitors), and 3.2 (high inhibitors and/or immune tolerance induction), respectively, depending on the end point (above). The pathophysiology of this large effect must be understood in order to improve the characteristics of recombinant products and to reduce the incidence of inhibitors to FVIII.
High rates of early HBeAg seroconversion and relapse in Indian patients of chronic hepatitis B treated with Lamivudine: results of an open labeled trial
Authors: Alexander George , Baba Chalamalasetty S , Chetri Kamal , Negi TS , Choudhuri Gourdas
Published: September 2005

Background

The use of Lamivudine in chronic hepatitis B (CHB) is well known, however the reported rate of HBeAg sero-conversion and its durability post-treatment have varied considerably. We undertook the present study to study the effect of Lamivudine on HBeAg loss and seroconversion rates in Indian patients of CHB in relation to frequency, predictors and durability.

Methods

We treated 60 patients of e antigen positive CHB (with active viral replication and ongoing necro-inflammatory activity) with Lamivudine. They were followed up by monthly aminotransferases, and 3 monthly HBeAg and anti-HBe. Those who attained HBeAg sero-conversion were advised to discontinue Lamivudine after 6 months and followed up every 3 months thereafter, to see for relapse. Treatment was given for maximum of 3 years if not sero-converted.

Results

The annual incremental loss of HBeAg in patients receiving Lamivudine was 25 (41.6%) at end of 1st year, 33 (55%) at 2nd year and 35 (58.3%) at 3rd year. The corresponding rates for full sero-conversion were 17/60 (28.6%), 22/60 (36.6%) and 24/60 (40%) in the 3 years. HBeAg loss correlated with increased pre-therapy ALT levels (p = 0.002) and decreased pretreatment HBV-DNA levels (p = 0.004). The presence of cirrhosis had no influence on the rate of HBeAg loss. Relapse occurred in 35% (7/20) post-treatment at median time of 6 months.

Conclusion

Indian patients showed a higher rate of HBeAg sero-conversion in the first year of Lamivudine treatment. This correlated with baseline ALT and inversely with HBV-DNA levels. Relapse rate after treatment was high and occurred soon after stopping treatment.
Concurrence of Plasmodium falciparum dhfr and crt mutations in northern Ghana
Authors: Mockenhaupt Frank P , Bousema J Teun , Eggelte Teunis A , Ehrhardt Stephan , Otchwemah Rowland N , Sauerwein Robert W , Bienzle Ulrich
Published: September 2005

Background

Both chloroquine (CQ) and sulfadoxine-pyrimethamine (SP) are failing drugs in much of sub-Saharan Africa. Previous findings suggest an association between resistance to CQ and to SP in vivo, in vitro, and on the molecular level.

Methods

In 126 Ghanaian children with uncomplicated malaria, associations between mutations conferring resistance in the Plasmodium falciparum dihydrofolate reductase (dhfr; SP) and chloroquine resistance transporter (crt; CQ) genes, concentrations of residual antimalarial drugs, and gametocyte carriage were examined.

Results

Mutant dhfr alleles and the CQ-resistance allele crt T76 were strongly associated with each other. Isolates exhibiting the dhfr triple mutation seven times more likely also contained crt T76 parasites as compared to isolates without the dhfr triple variant (P = 0.0001). Moreover, both, isolates with the dhfr triple mutation (adjusted OR, 3.2 (95%CI, 1.0–10.4)) and with crt T76 (adjusted OR, 14.5 (1.4–150.8)) were associated with an increased likelihood of pre-treatment gametocytaemia. However, crt T76 did not correlate with gametocytaemia following SP treatment and no selection of crt T76 in SP treatment failure isolates was observed.

Conclusion

These results confirm an association between CQ and SP resistance markers in isolates from northern Ghana. This could indicate accelerated development of resistance to SP if CQ resistance is already present, or vice versa. Considering the enhanced transmission potential as reflected by the increased proportion of isolates containing gametocytes when resistant parasites are present, co-resistance can be expected to spread in this area. However, the underlying mechanism leading to this constellation remains obscure.
Cerebellum- and forebrain-derived stem cells possess intrinsic regional character
Authors: Klein Corinna , Butt Simon J. B. , Machold Robert P. , Johnson Jane E. , Fishell Gord
Published: September 2005

The existence of stem cells in the adult nervous system is well recognized;however, the potential of these cells is still widely debated. We demonstrate that neural stem cells exist within the embryonic and adult cerebellum. Comparing the potential of neural stem cells derived from the forebrain and cerebellum, we find that progeny derived from each of these brain regions retain regional character in vitro as well as after homotopic transplantation. However, when ectopically transplanted, neurosphere-derived cells from either region are largely unable to generate neurons. With regard specifically to embryonic and adult cerebellar stem cells, we observe that they are able to give rise to neurons that resemble different select classes of cerebellar subclasses when grafted into the perinatal host cerebellum. Most notably, upon transplantation to the perinatal cerebellum, cerebellar stem cells from all ages are able to acquire the position and mature electrophysiological properties of cerebellar granule cells.
Neuromuscular synapses can form in vivo by incorporation of initially aneural postsynaptic specializations
Authors: Flanagan-Steet Heather , Fox Michael A. , Meyer Dirk , Sanes Joshua R.
Published: September 2005

Synapse formation requires the coordination of pre- and postsynaptic differentiation. An unresolved question is which steps in the process require interactions between pre- and postsynaptic cells, and which proceed cell-autonomously. One current model is that factors released from presynaptic axons organize postsynaptic differentiation directly beneath the nerve terminal. Here, we used neuromuscular junctions (NMJs) of the zebrafish primary motor system to test this model. Clusters of neurotransmitter(acetylcholine) receptors (AChRs) formed in the central region of the myotome,destined to be synapse-rich, before axons extended and even when axon extension was prevented. Time-lapse imaging revealed that pre-existing clusters on early-born slow (adaxial) muscle fibers were incorporated into NMJs as axons advanced. Axons were, however, required for the subsequent remodeling and selective stabilization of synaptic clusters that precisely appose post- to presynaptic elements. Thus, motor axons are dispensable for the initial stages of postsynaptic differentiation but are required for later stages. Moreover, many AChR clusters on later-born fast muscle fibers formed at sites that had already been contacted by axons, suggesting heterogeneity in the signaling mechanisms leading to synapse formation by a single axon.
Ion-Association and Solvation of Some Copper (I), Silver (I) and Tetraalkylammonium Salts in Binary Mixtures of Acetonitrile withn-Butyronitrile and N,N-Dimethylacetamide
Authors: Gill Dip Singh , Kumari Avnesh , Gupta Rahul , Jauhar S. P. , Puri J. K.
Published: September 2005

Molar conductances of Bu4NBPh4, Bu4NClO4, Bu4NI, Bu4NBr, Bu4NCF3COO, Pr4NBr, Et4NI, Et4NBPh4, NaClO4, NaBPh4, [Cu(CH3CN)4]ClO4and CF3COOAg have been measured in the concentration range (1–120) × 10−4mol dm−3in acetonitrile (AN) and binary mixtures of AN withn-butyronitrile (n-BTN) and DMA. The conductance data in all cases have been analyzed by the Shedlovsky method to evaluate ΛoandKAof these electrolytes. Some of these salts are associated in these solvent systems. Ion-association in case of silver (I) salts is the largest and relatively more in case of AN + DMA mixtures. Limiting ion conductances (λio) and hence actual solvated radii (ri) in all solvent systems have been evaluated using a modified form of Stoke's law. Cu+, Ag+and Na+are highly solvated, CF3COO−, ClO4−, Br−and I−are poorly/moderately solvated and tetraalkylammonium ions (R4N+) and Ph4B−are not solvated in AN +n-BTN and AN + DMA mixtures.
Solvation of the Ionic Liquid [C4mim][PF6] in Aqueous Ethanol Solutions from Molar Volume, Viscosity and Conductivity Measurements
Authors: Wang Jianji , Han Lijun , Zhao Yang , Pei Yuanchao
Published: September 2005

Standard partial molar volumes V
2,Φ
0, viscosity B-coefficients and molar conductivities λm for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate [C4mim][PF6] in aqueous ethanol solutions (x
ethanol = 0.5∼0.9) have been determined from density, viscosity and conductivity measurements at 298.15 K. It is shown that values of V
2,Φ
0 decrease, while those of viscosity B-coefficients increase with increasing mole fraction of ethanol in the solvents. The molar conductivities of the ionic liquid are found to be decreased with increase of both the ionic liquid concentration and the ethanol content in the systems. Experimental results have been discussed in terms of the ionic liquid–solvent interactions and the ion associations of the ionic liquid in aqueous ethanol solutions.
Nanosized TiO2‐filled sulfonated polyethersulfone proton conducting membranes for direct methanol fuel cells
Authors: Prashantha K. , Park S. G.
Published: September 2005

This paper presents an evaluation of the effect of titanium dioxide nanoparticles in sulfonated polyethersulfone with sulfonation degree of 70%. A series of inorganic–organic hybrid membranes was prepared with a systematic variation of titanium dioxide nanoparticles content. Their water uptake, methanol permeability, and proton conductivity as a function of temperature were investigated. The results show that the inorganic oxide network decreases the proton conductivity and water swelling. Increase in inorganic oxide content leads to decrease of methanol permeability. In terms of morphology, membranes are homogeneous and exhibit good adhesion between inorganic domains and the polymer matrix. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 98: 1875–1878, 2005
Particle size and distribution of biodegradable poly‐D,L‐lactide‐co‐poly(ethylene glycol) block polymer nanoparticles prepared by nanoprecipitation
Authors: Ren Jie , Hong Haiyan , Song Jinxing , Ren Tianbin
Published: September 2005

A biodegradable block copolymer, poly‐D,L‐lactide (PLA)‐co‐poly(ethylene glycol) (PEG), was prepared by the ring‐opening polymerization of lactide with stannous caprylate [Sn(Oct2)] as a catalyst; then, the PLA–PEG copolymer was made into nanoparticles by nanoprecipitation under different conditions. The average molecular weight and structure of PLA–PEG were detected by 1H‐NMR and gel permeation chromatography. The sizes and distributions of the nanoparticles were investigated with a laser particle‐size analyzer. The morphologies of the nanoparticles were examined by transmission electron microscopy. The effects of the solvent–nonsolvent system, operation conditions, and dosage of span‐80 on the sizes and distributions of the nanoparticles are discussed. The results show that acetone–water was a suitable solvent–nonsolvent system and the volume ratio of the nonsolvent phase to the solvent phase (O/W) (v/v), the concentration of PLA–PEG in the solvent phase, and the dosage of span‐80 had important effects on the particle sizes and distributions. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 98: 1884–1890, 2005
Hydrophilic functional copolymers from N‐maleoyl glycine and hydroxymethylacrylamide: Synthesis, characterization, and thermal properties
Authors: del C. Pizarro Guadalupe , Jeria Manuel , Marambio Oscar G. , Huerta Margarita , Rivas Bernabé L.
Published: September 2005

The free‐radical copolymerization of N‐maleoylglycine with hydroxymethylacrylamide was studied, with the starting monomer compositions ranging from 25 to 75 mol %. The copolymer compositions were obtained by elemental analysis from the N/C weight percentage ratio. The monomer reactivity ratios were estimated by the classical Fineman–Ross and Kelen–Tüdös linear procedure methods. The experimental data indicated random comonomer incorporation. The thermal behavior of the copolymers was investigated with differential scanning calorimetry and thermogravimetry techniques under a nitrogen atmosphere. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 98: 1903–1908, 2005
Characterization and transport properties of a novel aliphatic polyamide with an ethyl branch
Authors: Kanekura K. , Tsujita Y. , Yoshimizu H. , Okamoto S. , Kunisada H. , Goto M.
Published: September 2005

The CO2 gas and water vapor transport properties of a novel aliphatic polyamide with an ethyl branch were investigated. The polymer was characterized with density measurements, differential scanning calorimetry, thermogravimetric analysis, and wide‐angle X‐ray diffraction analyses, and the amorphous and glassy nature of the polymer at the ambient temperature were confirmed. The CO2 sorption isotherm of the polymer appeared to obey the dual‐mode sorption isotherm, which was characteristic of the glassy state. The water vapor sorption below a relative humidity of 0.4 or 0.5 was explained in terms of the Brunauer–Emmett–Teller sorption mechanism, whereas that at a high relative humidity demonstrated a dissolution type of water vapor into the polyamide. The permeability coefficients of He, CO2, O2, and N2 gases through the membrane were as follows: P(He) > P(CO2) > P(O2) > P(N2). The novel polyamide membrane was more permeable to CO2, O2, and N2 gases than nylon 6 and nylon 66 membranes, containing a crystalline and hydrogen‐bonding nature. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 98: 1955–1960, 2005
Fast liquefaction of bagasse in ethylene carbonate and preparation of epoxy resin from the liquefied product
Authors: Xie Tao , Chen Fangeng
Published: September 2005

Bagasse was rapidly liquefied in ethylene carbonate catalyzed by sulfuric acid at 140–170°C. The liquefaction was finished within 18 min. The liquefaction product was a mixture of polyols and phenolic compounds. The hydroxyl number of liquefied bagasse was in the range of 200–330 mg of KOH/g. The liquefied bagasse comprised two major fractions with different molecular weights. The average molecular weight of each fraction changed little during the liquefaction procedure, but the ratio of the content of the two fractions varied with time. An epoxy resin was prepared from the liquefied bagasse and diglycidyl ether of bisphenol A. The resin was cured with triethylene tetramine at 100°C. The resin presented higher adhesive shear strength and better thermal stability than a commercial epoxy resin. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 98: 1961–1968, 2005
Rapid liquid chromatography–tandem mass spectrometry method for quantification of ziprasidone in human plasma
Authors: Al‐Dirbashi Osama Y. , Aboul‐Enein Hassan Y. , Al‐Odaib Ahmed , Jacob Minnie , Rashed Mohamed S.
Published: September 2005

A liquid chromatography–tandem mass spectrometry (LC‐MS/MS) method for the determination of ziprasidone (ZIP) in human plasma was developed. ZIP and N‐methyl ziprasidone as internal standard (IS) were extracted from alkalinized plasma using tert‐ butyl methyl ether. Separation was performed isocratically on a C8 column with 90% acetonitrile containing 2 mmol/L ammonium acetate as a mobile phase with a total run time of 2.5 min. MS/MS transitions of m/z 413 → 194 and m/z 427 → 177 of the analyte and internal standard were used for quantification. Confirmatory ions of m/z 413 → 177 and m/z 427 → 180 were collected as well. The calibration curve based on peak‐area ratio was linear up to at least 200 ng/mL with a detection limit of 0.1 ng/mL. The method showed satisfactory reproducibility with a coefficient of variation of less than 5%. The method was successfully applied to the analysis of ZIP in spiked human plasma. Copyright © 2005 John Wiley & Sons, Ltd.
Psychological model for animating crowded pedestrians
Authors: Sakuma Takeshi , Mukai Tomohiko , Kuriyama Shigeru
Published: September 2005

This paper proposes a psychological model for simulating pedestrian behaviors in a crowded space. Our decision‐making scheme controls plausible avoidance behavior depending on the positional relations among surrounding persons, on the basis of a two‐stage personal space and a virtual memory structure as proposed in social psychology. Our system determines pedestrian walking speed with the crowd density to imitate the measured data in urban engineering, and automatically generates plausible motions of the individual pedestrian by composing a locomotion graph with motion capture data. Our approach based on psychology and a variety of actual measurements can increase the accuracy of simulation at both the micro and macro levels. Copyright © 2005 John Wiley & Sons, Ltd.
Modeling and simulating the deformation of human skeletal muscle based on anatomy and physiology
Authors: Lemos Robson R. , Rokne Jon , Baranoski Gladimir V. G. , Kawakami Yasuo , Kurihara Toshiyuki
Published: September 2005

This paper describes the modeling and simulation of the deformation of human skeletal muscle at different structural levels based on sound scientific principles, experimental evidence, and state‐of‐art muscle anatomy and physiology. The equations of a continuum model of a muscle with realistic architecture, including internal arrangement of muscle fibers and passive structures, and deformation, including activation relations, was developed and solved with the finite element method. The continuum model is used as the basis of a strategy for controlling muscle deformation using activation relations. In order to demonstrate the functionality of the model, it was used to investigate force production and structural changes during contraction of the human tibialis anterior for maximally and submaximally activated muscle behavior. From a comparison with experimental data obtained from ultrasound imaging, we concluded that the modeling and simulation of the continuum based on physiologically meaningful parameters as described in the paper is both an excellent predictor of force production observations and of changes in internal geometry under various test conditions. It is therefore a valuable tool for controlling muscle deformation during movement. Copyright © 2005 John Wiley & Sons, Ltd.
Motion control with strokes
Authors: Oshita Masaki
Published: September 2005

We present a novel interface for interactive and intuitive motion control of human figures. By drawing a stroke on the screen using a pen or a mouse, a user of our system can make virtual human figures perform various types of motions. An important feature of ‘stroke’ is that it has initial and terminal points. With a single stroke, users can specify the source and target of an action at the same time. An appropriate action is determined based on single stroke and the context. For example, by drawing a stroke from the foot of a character to a ball, the character kicks the ball. By drawing a stroke from a prop to one of the character's hands, the character takes the prop with the specified hand. By drawing a stroke from a character to any point on the ground, the character walks to the specified position. First, we categorize selectable objects into some types. The motions are then described using combinations of the defined types. We also detail the implementation of our system and the methods for motion generation, and finally we discuss some issues based on experiments with the implemented system. Copyright © 2005 John Wiley & Sons, Ltd.
Covalent Incorporation of Methyl Red Dyes into Double‐Stranded DNA for Their Ordered Clustering
Authors: Kashida Hiromu , Tanaka Masayuki , Baba Seiki , Sakamoto Taiichi , Kawai Gota , Asanuma Hiroyuki , Komiyama Makoto
Published: September 2005

An ordered dye cluster of Methyl Reds was formed in double‐stranded DNA by hybridizing two complementary DNA–dye conjugates, each involving a Methyl Red moiety on a threoninol linker and a 1,3‐propanediol spacer arranged alternately in the middle of the DNA sequence. In the duplex, Methyl Reds from each strand were axially stacked antiparallel to each other, as determined from NMR analysis. This clustering of Methyl Reds induced distinct changes in both UV/Vis and CD spectra. Single‐stranded DNA–Methyl Red conjugates on D‐threoninol linkers and (1,3‐propanediol) spacers exhibited broad absorption spectra with λmax at around 480 nm, and almost no CD was observed at around the absorption maximum of Methyl Red. However, as Methyl Reds were clustered by hybridization, λmax shifted towards shorter wavelengths with respect to its monomeric transition. This hypsochromic shift increased as the number of Methyl Red molecules increased. Furthermore, a positive couplet was also strongly induced here. These dye clusters are H‐aggregates, in which molecular excitons are coupled. The positive couplet demonstrates that the clusters on D‐threoninol form a right‐handed helix. In contrast, the induced CD became much weaker with Methyl Red on L‐threoninol, which intrinsically prefers counterclockwise winding. Thus, mutual orientation of the stacked dye molecules was controlled by the chirality of the linker.
Grafting of [Mn(CH2tBu)2(tmeda)] on Silica and Comparison with Its Reaction with a Silsesquioxane
Authors: Riollet Virginie , Quadrelli Elsje Alessandra , Copéret Christophe , Basset Jean‐Marie , Andersen Richard A. , Köhler Klaus , Böttcher Rolf‐Michael , Herdtweck Eberhardt
Published: September 2005

The reaction of [Mn(CH2tBu)2(tmeda)] (1) and a silica partially dehydroxylated at 700 °C (SiO2/700) yields a single surface species [(SiO)Mn(CH2tBu)(tmeda)] (2 a; tmeda=tetramethylethylendiamine), while a mixture of 2 a and [(SiO)2Mn(tmeda)] (2 b) is obtained by using SiO2/200, SiO2/300, or SiO2/500 as evidenced by mass balance analysis, and IR and EPR spectroscopy. The reaction of 1 and (c‐C5H9)7Si7O12SiOH (3), a soluble silanol that is a molecular model for a silica support, generates the bis‐siloxy complex 4, [{(c‐C5H9)7Si7O12SiO}2Mn(tmeda)2], in a quantitative yield; compound 4 was characterized by single‐crystal X‐ray diffraction. These reactions exemplify the limitation of considering molecular silanol derivatives as straightforward and reliable homogeneous models for silica, and address the need for thorough characterization of surface species by the use of surface‐science techniques. These studies show the possibility of preparing coordinatively and geometrically unique surface species that would be difficult to prepare by solution chemistry methods; insights into the chemical and physical properties of these surface species are also gained.
Controlled Self‐Assembly of Amphiphilic Oligopeptides into Shape‐Specific Nanoarchitectures
Authors: Koga Tomoyuki , Higuchi Masahiro , Kinoshita Takatoshi , Higashi Nobuyuki
Published: September 2005

Here, we report a novel, programmable, molecular self‐assembling system to fabricate shape‐specific, three‐dimensional nanoarchitectures. Three types of simple 16‐mer peptides consisting of hydrophobic Leu and hydrophilic Lys, LKL16, KLK16, and LK16, were prepared as building blocks for nanofabrications. A detailed analysis of the conformation and self‐assembling mechanism was performed by using circular dichroism (CD), FTIR spectroscopy, and atomic force microscopy (AFM). A wide variety of self‐assembled nanoarchitectures, such as β‐sheet‐plates, β‐sheet‐fibers, α‐helix‐particles, and α‐helix‐plates, could be fabricated by tuning the peptide sequence, reaction time, and solution pH. The ability to control the self‐assembled nanostructures should provide a simple and/or essential insight into the mechanism of peptide aggregation, including amyloid formation, and it should be useful for the design of novel bio‐related nanomaterials.
Mechanistic Insights into Iridium‐Catalyzed Asymmetric Hydrogenation of Dienes
Authors: Cui Xiuhua , Fan Yubo , Hall Michael B. , Burgess Kevin
Published: September 2005

Hydrogenation of 2,3‐diphenylbutadiene (1) with the chiral carbene–oxazoline–iridium complex C has been studied by means of a combined experimental and computational approach. A detailed kinetic profile of the reaction was obtained with respect to consumption of the substrate and formation of the intermediate half‐reduction products, 2,3‐diphenylbut‐1‐ene (2) and the final product, 2,3‐diphenylbutane (3). The data generated from these analyses, and from NMR experiments, revealed several facets of the reaction. After a brief induction period (presumably involving reduction of the cyclooctadiene ligand on C), the diene concentration declines in a zero‐order process primarily to give monoene intermediates. When all the diene is consumed, the reaction accelerates and compound 3 begins to accumulate. Interestingly, the prevalent enantiomer of the monoene intermediate 2 is converted mostly to meso‐3 so the enantioselectivity of the reaction appears to reverse. The reaction seems to be first‐order with respect to the catalyst when the catalyst concentration is less than 0.0075 M; diffusion of hydrogen across the gas–liquid interface complicates the analysis at higher catalyst concentrations. Similarly, these diffusion effects complicated measurements of reaction rate versus applied pressure of dihydrogen; other factors like stir speed and flask geometry come into play under some, but not all, the conditions examined. Density functional theory (DFT) calculations, using the PBE method, were used to probe the reaction. These studies indicate a transoid‐η4‐diene–dihydride complex forms in the first stages of the catalytic cycle. Further reaction requires dissociation of one alkene ligand to give a η2‐diene–dihydride–dihydrogen intermediate. A catalytic cycle that features Ir3+/Ir5+ seems to be involved thereafter.
Synthesis of Phenyl Arylsulfonyl‐alkyl‐dithiocarbamates and Their Hydrolytic Reactivity in Hydroxide and Hydroperoxide Media
Authors: Norberto Fátima , Araújo M. Eduarda M. , Santos Lídia , Jaime Marta S. P. , Mateus Pedro M. V. , Hervés Pablo
Published: September 2005

Eight previously unreported phenyl arylsulfonyl‐alkyl‐dithiocarbamates were synthesized by treatment of arylsulfonamides with phenyl chlorodithioformate in an adaptation of a general amine acylation method. A kinetic investigation of their alkaline hydrolysis was performed and the experimental data are discussed. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)
Voltammetric Determination of Surface‐Confined Biomolecules with N‐(2‐Ethyl‐ferrocene)maleimide
Authors: Wang Yunfeng , Zhu Xu , Hu Zhongbo , Wang Jianxiu , Zhou Feimeng
Published: September 2005

A thiol‐specific electroactive cross‐linker, N‐(2‐ethyl‐ferrocene)maleimide (Fc‐Mi), has been used to tag surface‐confined peptides containing cysteine residues or oligodeoxynucleotides (ODNs) whose 3′ ends have been modified with thiol groups. The peptides studied herein include both the oxidized and reduced forms of glutathione and a hexapeptide. Cyclic voltammograms (CVs) of the Fc‐Mi groups attached to the surfaces were used to quantify the total number of cysteine residues that are tagged and/or can undergo facile electron transfer reactions with the underlying electrodes. A quartz crystal microbalance was used in conjunction with CV to estimate the total number of cysteine groups labeled by Fc‐Mi per peptide molecule. By comparing to mass spectrometric studies, it is confirmed that not all of the Fc‐Mi linked to the cysteine groups can participate in the electron transfer reactions. The methodology is further extended to the determination of ODN samples in a sandwich assay wherein the thiol linker on the 3′ end can be tagged with Fc‐Mi. The analytical performance was evaluated through determinations of a complementary ODN target and targets with varying numbers of mismatching bases. ODN samples as low as 10 fmol can be detected. Such a low detection level is remarkable considering that no signal amplification scheme is involved in the current method. The approach is shown to be sequence‐ and/or structure‐specific and does not require sophisticated instrumentation and complex experimental procedure.
Matching fusion protein systems for affinity analysis of two interacting families of proteins: the cohesin–dockerin interaction
Authors: Barak Yoav , Handelsman Tal , Nakar David , Mechaly Adva , Lamed Raphael , Shoham Yuval , Bayer Edward A.
Published: September 2005

Cellulosomes are multi‐enzyme complexes that orchestrate the efficient degradation of cellulose and related plant cell wall polysaccharides. The complex is maintained by the high‐affinity protein–protein interaction between two complementary modules: the cohesin and the dockerin. In order to characterize the interaction between different cohesins and dockerins, we have developed matching fusion‐protein systems, which harbor either the cohesin or the dockerin component. For this purpose, corresponding plasmid cassettes were designed, which encoded for the following carrier proteins: (i) a thermostable xylanase with an appended His‐tag; and (ii) a highly stable cellulose‐binding module (CBM). The resultant xylanase–dockerin and CBM–cohesin fusion products exhibited high expression levels of soluble protein. The expressed, affinity‐purified proteins were extremely stable, and the functionality of the cohesin or dockerin component was retained. The fusion protein system was used to establish a sensitive and reliable, semi‐quantitative enzyme‐linked affinity assay for determining multiple samples of cohesin–dockerin interactions in microtiter plates. A variety of cohesin–dockerin systems, which had been examined previously using other methodologies, were revisited applying the affinity‐based enzyme assay, the results of which served to verify the validity of the approach. Copyright © 2005 John Wiley & Sons, Ltd.
Preparation and characterization of novel hyperbranched poly(amido amine)s from Michael addition polymerizations of trifunctional amines with diacrylamides
Authors: Wang Ding , Liu Ye , Hong Chun‐Yan , Pan Cai‐Yuan
Published: September 2005

Novel hyperbranched poly(amido amine)s containing tertiary amines in the backbones and acryl as terminal groups were synthesized via the Michael addition polymerizations of trifunctional amines with twofold molar diacrylamide. The hyperbranched structures of these poly(amido amine)s were verified by 13C NMR (INVGATE). The polymerization mechanisms were clarified by following the polymerization process with NMR method, and the results show that the reactivity of secondary amine formed in situ is much lower than that of the secondary amine in 1‐(2‐aminoethyl) piperazine (AEPZ) ring and the primary amine. The secondary amine formed in situ was almost kept out of the reaction before the primary and secondary amines in AEPZ were consumed, leading to the formation of the AB2 intermediate, and the further reaction of the AB2 yielded the hyperbranched polymers. The molecular weights and properties of poly(amindo amine)s obtained were characterized by GPC, DSC, and TGA, respectively. Based on the reaction of active acryl groups in the polymers obtained with glucosamine, hyperbranched polymers containing sugar were formed. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 5127–5137, 2005
Exit surface dependence of the wavefunction measured and corrected by means of off‐axis electron holography
Authors: Lehmann Michael
Published: September 2005

In high‐resolution transmission electron microscopy (HRTEM), the recorded image intensity of a crystal, oriented on a low‐index zone‐axis, strongly depends on aberrations, in particular on defocus. However, already slight deviations of the exit surface from the incident plane electron wave causes a strong position‐dependent defocus, which, in the past, has rarely been considered in the analysis of HRTEM micrographs. Using off‐axis electron holography, the complete electron wave is available in both real space and Fourier space so that the reconstructed electron wave can be back‐propagated to the corresponding exit plane. Based on the thorough analysis of amplitude and phase of partial waves stemming from single reflections, a novel correction procedure is outlined yielding the object exit‐wave directly at the exit surface of the object. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Kernel energy method: Basis functions and quantum methods
Authors: Huang Lulu , Massa Lou , Karle Jerome
Published: September 2005

The kernel energy method (KEM) has been illustrated with peptides and has been shown to reduce the computational difficulty associated with obtaining ab initio quality quantum chemistry results for large biological compounds. In a recent paper, the method was illustrated by application to 15 different peptides, ranging in size from 4 to 19 amino acid residues, and was found to deliver accurate Hartree–Fock (HF) molecular energies within the model, using Slater‐type orbital (STO)‐3G basis functions. A question arises concerning whether the results obtained from the use of KEM are wholly dependent on the STO‐3G basis functions that were employed, because of their relative simplicity, in the first applications. In the present work, it is shown that the accuracy of KEM does not depend on a particular choice of basis functions. This is done by calculating the ground‐state energy of a representative peptide, ADPGV7B, containing seven amino acid residues, using seven different commonly employed basis function sets, ranging in size from small to medium to large. It is shown that the accuracy of the KEM does not vary in any systematic way with the size or mathematical completeness of the basis set used, and good accuracy is maintained over the entire variety of basis sets that have been tested. Both approximate HF and density functional theory (DFT) calculations are made. We conclude that the accuracy inherent in the KEM is not dependent on a particular choice of basis functions. The first application, to 15 different peptides mentioned above, employed only HF calculations. A second question that arises is whether the results obtained with the use of KEM will be accurate only within the HF approximation. Therefore, in the present work we also study whether KEM is applicable across a variety of quantum computational methods, characterized by differing levels of accuracy. The peptide, Zaib4, containing 74 atoms, was used to calculate its energy at seven different levels of accuracy. These include the semi‐empirical methods, AM1 and PM5, a DFT B3LYP model, and ab initio HF, MP2, CID, and CCSD calculations. KEM was found to be widely applicable across the spectrum of quantum methods tested. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006
Theoretical study of multiphoton processes in diatomic molecules
Authors: Sugimori Kimikazu , Ito Tomoya , Nagao Hidemi , Nishikawa Kiyoshi
Published: September 2005

We investigate multiphoton processes in diatomic molecules. We adopt the Morse oscillator model for the vibrational state of molecules and simulate the population transfer between vibrational levels caused by molecule–laser interaction. The ground‐state energy is calculated by the quadratic configurational interaction (QCISD) level ab initio molecular orbital calculation, and the potential energy curve of the ground state is fitted by the Morse potential curve to evaluate the discrete vibrational levels. An intense laser field generally causes the nonlinear optical processes in molecules, such as multiphoton excitation and ionization. We investigate the 1‐, 2‐, 3‐, and 4‐photon absorption processes in H2 and OH molecules in relation to the laser intensity in the picosecond (ps) regime. We also apply the stimulated Raman adiabatic passage (STIRAP) method to the efficient generation of the highly vibrational excited state, using a couple of the simultaneous 2‐photon absorption processes as the Stokes and pump processes. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005