bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis and Biological Evaluation of 1,3,3,4‐Tetrasubstituted Pyrrolidine CCR5 Receptor Antagonists. Discovery of a Potent and Orally Bioavailable Anti‐HIV Agent
Authors: Ma Dawei , Yu Shanghai , Li Ben , Chen Li , Chen Renhai , Yu Kunqian , Zhang Linqi , Chen Zhiwei , Zhong Dafang , Gong Zheng , Wang Renxiao , Jiang Hualiang , Pei Gang
Published: December 2006

A series of 1,3,3,4‐tetrasubstituted pyrrolidine containing CCR5 receptor antagonists were designed, which were elaborated either by condensation of a lithium salt of 3‐(N,N‐dibenzyl)aminopropionic acid methyl ester with ethyl benzoformate or by Baylis–Hillman reaction of ethyl acrylate with ethyl benzoformate and subsequent 1,4‐addition of benzylamine, in the key steps. These compounds bearing 4‐(N,N‐disubstituted)amino piperidine units showed low nanomolar potency against the CCR5 receptor, whereas molecules with a 4‐phenylpiperidine moiety displayed poor activity. Asymmetric synthesis of the most potent compound 23 a gave rise to the (3R,4S)‐enantiomer 30 and the (3S,4R)‐enantiomer 31, which showed IC50 values of 2.9 and 385.9 nM, respectively. These results indicated that (3R,4S)‐configuration in the series of compounds is favored for their interaction with the CCR5 receptor. The possible binding mode of these antagonists with the CCR5 receptor was discussed using a computer‐modeling method. Compound 30 displayed excellent replication inhibition of seven genetically diverse R5 HIV‐1 strains in the PBMC model, in a concentration‐dependent manner with EC50 values ranging from 0.3 nM to 30 nM. This molecule showed oral bioavailabilities of 41.2 % and 21.6 % in rats and dogs, respectively. Thus, compound 30 is a promising candidate for the treatment of HIV‐1 infection.
In vivo exposure to microcystins induces DNA damage in the haemocytes of the zebra mussel, Dreissena polymorpha, as measured with the comet assay
Authors: Juhel Guillaume , O'Halloran John , Culloty Sarah C. , O'Riordan Ruth M. , Davenport John , O'Brien Nora M. , James Kevin F. , Furey Ambrose , Allis Orla
Published: December 2006

The Comet assay was used to investigate the potential of the biotoxin microcystin (MC) to induce DNA damage in the freshwater zebra mussel, Dreissena polymorpha. Mussels maintained in the laboratory were fed daily, over a 21‐day period, with one of four strains of the cyanobacterium, Microcystis aeruginosa. Three of the strains produced different profiles of MC toxin, while the fourth strain did not produce MCs. The mussels were sampled at 0, 7, 14, and 21 days by withdrawing haemocytes from their adductor muscle. In addition, a positive control was performed by exposing a subsample of the mussels to water containing cadmium chloride (CdCl2). Cell viability, measured with the Fluorescein Diacetate/Ethidium Bromide test, indicated that the MC concentrations, to which the mussels were exposed, were not cytotoxic to the haemocytes. The Comet assay performed on the haemocytes indicated that exposure to CdCl2 produced a dose‐responsive increase in DNA damage, demonstrating that mussel haemocytes were sensitive to DNA‐damaging agents. DNA damage, measured as percentage tail DNA (%tDNA), was observed in mussels exposed to the three toxic Microcystis strains, but not in mussels exposed to the nontoxic strain. Toxin analysis of the cyanobacterial cultures confirmed that the three MC‐producing strains exhibit different toxin profiles, with the two MC variants detected being MC‐LF and MC‐LR. Furthermore, the DNA damage that was observed appeared to be strain‐specific, with high doses of MC‐LF being associated with a higher level of genotoxicity than low concentrations of MC‐LR. High levels of MC‐LF also seemed to induce relatively more persistent DNA damage than small quantities of MC‐LR. This study is the first to demonstrate that in vivo exposure to MC‐producing strains of cyanobacteria induces DNA damage in the haemocytes of zebra mussels and confirms the sublethal toxicity of these toxins. Environ. Mol. Mutagen., 2007. © 2006 Wiley‐Liss, Inc.
The impact of micro‐ and macroergonomics considerations on appropriate technology transfer decisions in developing countries: The case of Turkey
Authors: Erensal Yasemin Claire , Albayrak Esra
Published: December 2006

The research presented in this paper aims to support the decision process of appropriate technology transfer to industrially developing countries by improving a broader understanding of relationships between the key micro‐ and macroergonomics factors and the technology alternatives. The methodology involves knowledge acquisition, identifying and categorizing a holistic set of key criteria about technology transfer with respect to ergonomics. This work attempts briefly to identify factors affecting the success of technology transfer in order to reduce the potential of incompatibilities with respect to micro‐ and macroergonomics and to optimize the decision process of managers. The objective of the decision model, based on the analytic hierarchy process (AHP), determines the global priority weights for different technology alternatives and examines the critical factors and benefits, which affect the appropriateness of technology transfer. © 2007 Wiley Periodicals, Inc. Hum Factors Man 17: 1–19, 2007.
Characterizing viral microRNAs and its application on identifying new microRNAs in viruses
Authors: Pan Xiaoping , Zhang Baohong , Francisco Michael San , Cobb George P.
Published: December 2006

MicroRNAs (miRNAs) are a newly identified class of non‐protein‐coding small RNAs, which play important roles in multiple biological and metabolic processes at the post‐transcriptional level by directly cleaving targeted mRNAs or inhibiting translation. The lengths of viral miRNA precursors vary from 60 to 119 with an average of 79 nucleotides, which was smaller than observed for plant or animal miRNAs. Viral miRNAs are less conserved than plant and animal miRNAs, suggesting that viral miRNAs may evolve rapidly. Uracil nucleotide was highly dominant in the first position of 5′ mature miRNAs. Viral miRNAs had high minimal folding free energy index (MFEI, 0.9 ± 0.1). Based on these features and the well‐known characteristics of miRNAs, 20 new potential miRNAs were identified in viruses by using expressed sequence tag (EST) analysis and genomic sequence survey (GSS) analysis. A better understanding of viral miRNA functions will be useful to design new approaches for treating viruses, especially those viruses that can induce human, animal, and plant diseases. J. Cell. Physiol. 211: 10–18, 2007. © 2006 Wiley‐Liss, Inc.
Fas ligand expression in TM4 sertoli cells is enhanced by estradiol “in situ” production
Authors: Catalano Stefania , Rizza Pietro , Gu Guowei , Barone Ines , Giordano Cinzia , Marsico Stefania , Casaburi Ivan , Middea Emilia , Lanzino Marilena , Pellegrino Michele , Andò Sebastiano
Published: December 2006

The testis is an immunologically privileged site of the body where Sertoli cells work on to favor local immune tolerance by testicular autoantigens segregation and immunosuppressive factors secretion. Fas/Fas Ligand (FasL) system, expressed prevalently in Sertoli cells, has been considered to be one of the central mechanisms in testis immunological homeostasis. In different cell lines it has been reported that the proapoptotic protein FasL is regulated by 17‐β estradiol (E2). Thus, using as experimental model mouse Sertoli cells TM4, which conserve a large spectrum of functional features present in native Sertoli cells, like aromatase activity, we investigated if estradiol “in situ” production may influence FasL expression. Our results demonstrate that an aromatizable androgen like androst‐4‐ene‐3,17‐dione (Δ4) enhanced FasL mRNA, protein content and promoter activity in TM4 cells. The treatment with N6,2′‐O‐dibutyryladenosine‐3′‐5′‐cyclic monophosphate [(Bu)2cAMP] (simulating FSH action), that is well known to stimulate aromatase activity in Sertoli cells, amplified Δ4 induced FasL expression. Functional studies of mutagenesis, electrophoretic mobility shift (EMSA) and chromatin immunoprecipitation (ChIP) assays revealed that the Sp‐1 motif on FasL promoter was required for E2 enhanced FasL expression in TM4 cells. These data let us to recruit FasL among those genes whose expression is up‐regulated by E2 through a direct interaction of ERα with Sp‐1 protein. Finally, evidence that an aromatizable androgen is able to increase FasL expression suggests that E2 production by aromatase activity may contribute to maintain the immunoprivilege status of Sertoli cells. J. Cell. Physiol. 211: 448–456, 2007. © 2006 Wiley‐Liss, Inc.
Closure for the property of having a hamiltonian prism
Authors: Král Daniel , Stacho Ladislav
Published: December 2006

We prove that a graph G of order n has a hamiltonian prism if and only if the graph Cl4n/3–4/3(G) has a hamiltonian prism where Cl4n/3–4/3(G) is the graph obtained from G by sequential adding edges between non‐adjacent vertices whose degree sum is at least 4n/3–4/3. We show that this cannot be improved to less than 4n/3–5. © 2006 Wiley Periodicals, Inc. J Graph Theory 54: 209–220, 2007
Practical [14C]‐synthesis of molecules containing an acetic acid moiety: application to [14C]‐labeled DP1 antagonists
Authors: Berthelette Carl , Wang Zhaoyin
Published: December 2006

Efficient carbon‐14 labeling of four potent and selective DP1 antagonists is reported. The synthetic sequence began with α‐hydroxylation, reduction of an ester, followed by oxidative diol cleavage and aldehyde reduction. The resulting alcohol 4 was converted to a mesylate then nucleophilic substitution with [14C]‐sodium cyanide was performed to yield a nitrile, which upon basic hydrolysis provided the carbon‐14 labeled acid 1. Compound 2 was obtained from the same alcohol intermediate 4 and two diastereomeric compounds 6 and 7 were easily prepared from compound 2. Carbon‐14 synthesis of compounds 1, 2, 6 and 7 were achieved in good yields, high radiochemical purity (>99%) and with high specific activity (45 mCi/mmol). Copyright © 2006 John Wiley & Sons, Ltd.
Emotional intelligence and individual performance: evidence of direct and moderated effects
Authors: Rode Joseph C. , Mooney Christine H. , Arthaud‐Day Marne L. , Near Janet P. , Baldwin Timothy T. , Rubin Robert S. , Bommer William H.
Published: December 2006

We examined the direct and moderated effects of an ability‐based measure of emotional intelligence (MSCEIT© V2.0) on individual performance in a sample of business undergraduates. Controlling for general mental ability and personality, emotional intelligence explained unique incremental variance in performance ratings on only one of two measures of interpersonal effectiveness (public speaking effectiveness). However, the interaction of emotional intelligence with conscientiousness explained unique incremental variance both in public speaking and group behavior effectiveness, as well as academic performance (cumulative GPA). We conclude that the effects of emotional intelligence on performance are more indirect than direct in nature. Individuals must not only have emotional intelligence, but also must be motivated to use it. Copyright © 2006 John Wiley & Sons, Ltd.
An assessment of attraction toward affirmative action organizations: investigating the role of individual differences
Authors: Walker H. Jack , Feild Hubert S. , Giles William F. , Bernerth Jeremy B. , Jones‐Farmer L. Allison
Published: December 2006

Our study investigated applicant characteristics in response to organizations incorporating an affirmative action policy (AAP) statement in recruitment material. Study participants (N = 217; White upper‐level management students) randomly received recruitment material containing one of three statements (e.g., affirmative action, equal employment opportunity (EEO), or no statement regarding affirmative action or EEO) and were asked to evaluate the attractiveness of the organization publicizing the designated policy. Results indicated that individuals responded negatively to AAPs in recruitment material because of prejudice attitudes, the perceived unfairness of such programs (which we relate to equity sensitivity), or in an attempt to protect their own self‐interest (which we relate to general self‐efficacy). Additionally, individuals' equity sensitivity and general self‐efficacy both moderated the relationship between racial prejudice and organizational attractiveness. Specifically, the negative relationships between participants' prejudice attitudes and the attractiveness of organizations publicizing an affirmative action policy were stronger for benevolents (persons tolerant of situations where they are under‐rewarded) and for persons low in self‐efficacy. Implications of our findings for organizational recruitment practices are discussed. Copyright © 2006 John Wiley & Sons, Ltd.
Development and validation of a reverse‐phase liquid chromatographic method for assay and related substances of abacavir sulfate
Authors: Seshachalam U. , Haribabu B. , Chandrasekhar K. B.
Published: December 2006

A simple isocratic liquid chromatographic method was developed for the determination of abacavir from its related substances and assay for the first time. This method involves the usage of C18 (Intertsil octadecyl silane‐3V, 150 mm×4.6 mm, 5 μm) column. The method was validated over the range of 0.002–0.1 mg/mL for chloro impurity, 0.005–0.1 mg/mL for amino impurity and pyrimidine impurity, and 0.005–0.2 mg/mL for abacavir. The mobile phase consists of a mixture of 10 mM ammonium acetate buffer and ACN in the ratio of 90 : 10. The flow rate was set at 1.0 mL/min with UV detection monitored at 214 nm. The drug substance was subjected to stress conditions of hydrolysis, oxidation, photolysis, and thermal degradation. The developed method was validated for linearity, range, precision, accuracy, and specificity. This method can be conveniently used in a quality control laboratory for routine analysis of both related substances and assay.
Determination of phenols in environmental water samples by ionic liquid‐based headspace liquid‐phase microextraction coupled with high‐performance liquid chromatography
Authors: Ye Cunling , Zhou Qingxiang , Wang Xinming , Xiao Junping
Published: December 2006

Headspace liquid‐phase microextraction (HS‐LPME) has been applied to efficient enrichment of phenols such as 2‐nitrophenol, 4‐chlorophenol, 2,4‐dichlorophenol, and 2‐naphthol from water samples based on 1‐butyl‐3‐methylimidazolium hexafluorophosphate ([C4MIM][PF6]) as an extractant. Some parameters that may influence HS‐LPME were investigated. The linear range was in the range of 0.5–100 μg/L, and the enrichment factors and repeatability (RSD, n = 6) of the proposed method were in the range of 17.2–160.7 and 5.4–8.9%, respectively. The detection limit for each analyte ranged from 0.3 to 0.5 μg/L. Complex matrices of environmental water samples had a small effect on the enrichment, and this problem could be resolved by the addition of sodium ethylene diamine tetraacetate (EDTA) into the samples. The spiked recoveries were in the range of 89.4–114.2%. All these facts demonstrated that the proposed method, with merits of low cost, simplicity, and easy operation, would be a competitive alternative procedure for the determination of such compounds at trace level.
On‐site investigations on concrete resistivity – a parameter of durability calculation of reinforced concrete structures
Authors: Büteführ M. , Fischer C. , Gehlen C. , Menzel K. , Nürnberger U.
Published: December 2006

For determination the electrolytic resistivity of concrete, resistances of realistic designed probes are measured during a one and two year period, respectively. Measurements are made with a commercially available instrument normally used for measuring earth resistances. Comparison to other usually applied methods show not only that the used method GEOHM is qualified for measuring the electrolytic resistance of concrete but also that the magnitude of measured values is realistic. To obtain electrolytic resistivities from these measurements the individual cell constant for the investigated system was derived from experimental research. First results of the in‐situ stored specimens are presented, intended future activities are sketched.
Modelling of reinforcement corrosion – Investigations on the influence of shrinkage and creep on the development of concrete cracking in the early propagation stage of reinforcement corrosion
Authors: Bohner E. , Müller H.S.
Published: December 2006

Since the initiation stage of the damage process due to reinforcement corrosion had been successfully investigated in the recent past, the damage progress in the propagation stage is currently in the focus of research. This work deals with the mechanisms of cracking and spalling due to corrosion of reinforcement and aims for the development of an analytic prediction model of the damage process. On this occasion the influence of shrinkage and creep on the stress condition within the concrete cover is of major importance to the subsequent analysis of the crack formation due to reinforcement corrosion in the early propagation stage.
Charity E‐volution? An evaluation of the attitudes of UK charities towards website adoption and use
Authors: Goatman Anna K. , Lewis Barbara R.
Published: December 2006

The objective of the research was to assess attitudes in relation to website adoption and use, across a broad spectrum of UK charities. A survey methodology was adopted for the research, administered using a self‐completion questionnaire. The results reveal that although the majority of responding charities have websites, most appear to be using them to deliver information about the organisation and its mission, rather than acquiring new supporters, raising funds or allowing beneficiaries/clients to interact. However, overall, respondents were positive regarding the use of websites by charities, and most are optimistic about future improvements in their own online performance.

Copyright © 2006 John Wiley & Sons, Ltd.
Evaluations of branding alliances between non‐profit and commercial brand partners: the transfer of affect
Authors: Dickinson Sonia , Barker Alison
Published: December 2006

There is growing interest in the trend towards co‐branding alliances between non‐profit and commercial entities,which are undertaken by these organisations to transfer associations and affect between each brand partner. Certainly, it makes sense that commercial entities want to gain more from their brands and that non‐profits want secured funding, however, in the same way that the joining of two brands can be beneficial, it can also bring with it major risks when the brand alliance is not well received and evaluations of the alliance are not favourable.

This research supports the notion that both commercial entities and non‐profit organisations can benefit from a branding alliance, however, an understanding of how these brand alliances are evaluated is important. This research investigates evaluations of brand alliances and the resulting spillover effects for original brand partners that result from brand alliances.

This research provides empirical support relating to reactions to brand alliances between a non‐profit organisation and a commercial business in terms of how original brand attitudes, familiarity of original brands and perceived brand fit impact on evaluations. While collaboration is important and has potential benefits for each partner—they rest on partner selection and fit between alliance partners. Managerial implications and future research directions are also provided.

Copyright © 2006 John Wiley & Sons, Ltd.
Physical benefits of Tai Chi Chuan for individuals with lower‐limb disabilities
Authors: Cheung Siu Yin , Tsai Eva , Fung Lena , Ng Judy
Published: December 2006

This paper reports on an experimental study that examined the effect of a 15‐week Tai Chi Chuan (TCC) exercise programme on the cardiovascular function, pulmonary function, and shoulder range of motion of persons with lower‐limb disability. The experimental group comprised 22 people with lower limb disabilities and a control group of 17 participants. The experimental group was provided with 30 sessions of TCC training while the control group did not receive any intervention. After 30 sessions of TCC, significant improvements in shoulder external rotation and shoulder extension were found among participants of the experimental group. Improvements in cardiovascular and pulmonary functions were not significant. The investigators concluded that a 15‐week TCC programme with mild exercise could be an effective tool for improving shoulder flexibility and muscle strength among sedentary individuals with lower‐limb disabilities. Further research is recommended in examining the long‐term effects of TCC on improving cardiovascular and respiratory functions in individuals with lower‐limb disabilities. Copyright © 2006 John Wiley & Sons, Ltd.
Operational results of grid‐connected photovoltaic system with different inverter's sizing factors (ISF)
Authors: Macêdo W. N. , Zilles R.
Published: December 2006

This paper presents operational results of a 11·07 kWp grid‐connected photovoltaic system. This system is made up by eight groups with different relationships between the inverter's rated power and the PV generator's maximum power (P / P) . The obtained results led to the verification that the different studied relationships, P / P between 55 and 102%, do not affect significantly the final yields (YF). Copyright © 2006 John Wiley & Sons, Ltd.
A school practitioner's guide to using daily behavior report cards to monitor student behavior
Authors: Riley‐Tillman T. Chris , Chafouleas Sandra M. , Briesch Amy M.
Published: December 2006

With the growing popularity of a response to intervention model of service delivery, the role of intervention management is becoming more prominent. Although many aspects of intervention management have received significant attention, one area that warrants further development involves feasible methods for monitoring student behavior in a formative fashion. By formative, we mean behavior that is frequently monitored, such as on a daily basis, with the premise that the information will be used to make appropriate intervention decisions. Within a problem‐solving model of intervention development, implementation, and evaluation, at least one educational professional must be responsible for using an effective tool for monitoring behavior. Yet, identifying and using such a tool can be a challenge in applied settings in which resources are often limited. The purpose of this article is to briefly review available tools for behavior monitoring, with emphasis on reviewing the potential of the Daily Behavior Report Card to serve as a supportive methodology to more established measures of behavior assessment. Examples and guidelines for use of the Daily Behavior Report Card in behavior monitoring are provided. © 2007 Wiley Periodicals, Inc. Psychol Schs 44: 77–89, 2007.
Proteomics in human cancer research
Authors: Pastwa Elzbieta , Somiari Stella B. , Czyz Malgorzata , Somiari Richard Idem
Published: December 2006

Proteomics is now widely employed in the study of cancer. Many laboratories are applying the rapidly emerging technologies to elucidate the underlying mechanisms associated with cancer development, progression, and severity in addition to developing drugs and identifying patients who will benefit most from molecular targeted compounds. Various proteomic approaches are now available for protein separation and identification, and for characterization of the function and structure of candidate proteins. In spite of significant challenges that still exist, proteomics has rapidly expanded to include the discovery of novel biomarkers for early detection, diagnosis and prognostication (clinical application), and for the identification of novel drug targets (pharmaceutical application). To achieve these goals, several innovative technologies including 2‐D‐difference gel electrophoresis, SELDI, multidimensional protein identification technology, isotope‐coded affinity tag, solid‐state and suspension protein array technologies, X‐ray crystallography, NMR spectroscopy, and computational methods such as comparative and de novo structure prediction and molecular dynamics simulation have evolved, and are being used in different combinations. This review provides an overview of the field of proteomics and discusses the key proteomic technologies available to researchers. It also describes some of the important challenges and highlights the current pharmaceutical and clinical applications of proteomics in human cancer research.
A proteome analysis of the dorsolateral prefrontal cortex in human alcoholic patients
Authors: Alexander‐Kaufman Kimberley , Cordwell Stuart , Harper Clive , Matsumoto Izuru
Published: December 2006

Alcoholic patients commonly experience cognitive decline. It is postulated that cognitive dysfunction is caused by an alcohol‐induced region‐selective brain damage, particularly to the prefrontal region, and grey and white matter may be affected differently. We used a proteomics‐based approach to compare protein expression profiles of the dorsolateral prefrontal cortex (Brodmann area 9 (BA9)) from human alcoholic and healthy control brains. Changes in the relative expression of 110 protein 'spots' were identified in the BA9 grey matter, of which 54 were identified as 44 different proteins. In our recent article, 60 protein spots were differentially expressed in the BA9 white matter and 18 of these were identified (Alexander‐Kaufman, K., James, G., Sheedy, D., Harper, C., Matsumoto, I., Mol. Psychiatry 2006, 11, 56‐65). Additional BA9 white matter proteins are identified here and discussed in conjunction to our grey matter results. Thiamine‐dependent enzymes transketolase and pyruvate dehydrogenase (E1β ubunit) were among the proteins identified. To our knowledge, this is the first time a disruption in thiamine‐dependent enzymes has been demonstrated in the brains of ‘neurologically uncomplicated’ alcoholics. By identifying protein expression changes in prefrontal grey and white matter separately, hypotheses may draw upon more mechanistic explanations as to how alcoholism causes the structural alterations associated with alcohol‐related brain damage and cognitive dysfunction.
Density functional theory study on the reactions of X− with CH3SY (X, Y = F, Cl, Br, I)
Authors: Gai Jing‐Gang , Ren Yi
Published: December 2006

Gas‐phase anionic reactions X− + CH3SY (X, Y = F, Cl, Br, I) have been investigated at the level of B3LYP/6‐311+G (2df,p). Results show that the potential energy surface (PES) of gas‐phase reactions X− + CH3SY (X, Y = Cl, Br, I) has a quadruple‐well structure, indicating an addition–elimination (A–E) pathway. The fluorine behaves differently in many respects from the other halogens and the reactions F− + CH3SY (Y = F, Cl, Br, I) correspond to deprotonation instead of substitution. The gas‐phase reactions X− + CH3SF (X = Cl, Br, I), however, follow an A–E pathway other than the last two out going steps (COM2 and PR) that proceeds via a deprotonation. The polarizable continuum model (PCM) has been used to evaluate the solvent effects on the energetics of the reactions X− + CH3SY (X, Y = Cl, Br, I). The PES is predicted to be unimodal in the solvents of high polarity. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
H‐doped PbTiO3: Structure and electronic properties
Authors: Stashans Arvids , Rivera Richard
Published: December 2006

The geometry and electronic properties of the interstitial H atom in the tetragonal PbTiO3 crystal have been studied using an advanced quantum chemical computer code developed for the modeling of crystals. The inserted H atom was found to bind to one of the O atoms and to form the hydroxyl, OH group, with the inter‐atomic distance equal to 0.93 Å and 1.00 Å for the hydroxyls containing O atom in the dimerized and nondimerized TiOTi chains, respectively. Atomic displacements in the vicinity of OH complex are calculated and analyzed in relation to the H‐produced changes upon the atomic charges in defective region. The role of H impurity on the ferroelectric polarization in the tetragonal PbTiO3 is discussed in terms of the results obtained in our research and those presented in the other studies on this subject. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Geometries, vibrational frequencies, and electron affinities of X2Cl (X=C,Si,Ge) clusters
Authors: Hao Feng‐You , Zhao Yong‐Fang , Jing Xiao‐Gong , Li Xin‐Ying , Liu Feng‐Li
Published: December 2006

Ab initio quantum chemical calculations have been performed on X2Cl− and X2Cl (X = C, Si, Ge) clusters. The geometrical structures, vibrational frequencies, electronic properties and dissociation energies are investigated at the Hartree–Fock (HF), Møller–Plesset second‐ and fourth‐order (MP2, MP4), CCSD(T) level with the 6‐311+G(d) basis set. The X2Cl (X = C, Si, Ge) and X2Cl− (X = Si, Ge) take a bent shape obtained at the ground state, while C2Cl− has a linear structure. The impact on internal electron transfer between the X2Cl and the corresponding anional clusters is studied. The three different types of electron affinities (EAs) at the CCSD(T) are reported. The most reliable adiabatic electronic affinities, obtained at the CCSD(T)/cc‐pvqz level of theory, are predicted to be 3.30, 2.62, and 1.98 eV for C2Cl, Si2Cl, and Ge2Cl, respectively. The calculated EAs of C2Cl and Ge2Cl are in good agreement with theoretical results reported. The correlation effects and basis sets effects on the geometrical structures and dissociation energies are discussed. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007
Advances in Carbon‐Nanotube Assembly
Authors: Yan Yehai , Chan‐Park Mary B. , Zhang Qing
Published: December 2006

Iijima’s observation in 1991 of fullerene‐like materials by high‐resolution transmission electron microscopy heralded the beginning of the carbon nanotube (CNT) era. A wealth of theoretical predictions and experimental verifications about CNTs have disclosed remarkable size‐ and structure‐dependent properties that are attractive for various potential applications, ranging from conducting wires in molecular devices to fillers in nanocomposites. Many of these applications require assembly (alignment and/or patterning) of CNTs into hierarchical arrays over large‐scale areas with controllable shape, location, orientation, and density of the nanotubes. Efforts from both the scientific and engineering points of view have been made to address this issue, beginning shortly after the discovery of CNTs. We review here the development of CNT‐assembly techniques under the two rubrics of synthetic assembly and post‐synthetic assembly, with emphasis given to the post‐synthetic approach. Preliminary to the survey of assembly techniques, we also discuss the characterization techniques that have been widely used for the challenging tasks of visualizing and quantifying CNT assembly.
On fixed precision level sequential sampling
Authors: Green Roger H.
Published: December 2006

It is proposed that the sequential sampling design ofKuno (1969) for estimating populations with a fixed level of precision be modified by using σ2=amb for the variance‐mean relationship for most field distributions of organisms. This function yields a straight line “stop line” rather than a curve. An example is calculated and used with field data.
A new proposal for measurement of the adjusted mean crowding through consideration of size variability in habitat units
Authors: Watanabe Naoshi
Published: December 2006

The mean crowding has previously been measured under the assumption that all quadrats or habitat units have the same size, even though the actual habitat units such as seeds or leaves are generally variable in size. A new index, ‘adjusted mean crowding’, which is adjusted for this variability can be given as
urn:x-wiley:14383896:pope0215:equation:pope0215-math-0002
where Q is the total number of habitat units in the whole area, xj the number of individuals in the jth habitat unit, and aj is defined as the ‘relative size’ of the jth habitat unit, i.e. ay=yy/(∑yj/Q) where yj is the actually measured size of the jth habitat unit.

It is expected that and for the uniform distribution and the random distribution ‘per unit size’, respectively. The comparison between and regressions ( analysis) for the egg distribution pattern of Callosobruchus chinensis or C. maculatus proved that the regression is biased by a positive correlation between the egg number per seed and seed size rather than by a density‐dependent change in the ovipositional behavior.
Numerical prediction of a relation among growth, reproduction and mortality in iteroparous fish populations
Authors: Hiyama Yoshiaki , Kitahara Takeru , Tokai Tadashi
Published: December 2006

As a quantitative approach to the life history, the present paper numerically analyzed a relation among growth, reproduction and mortality for nine fish populations with a technique of optimal control theory, the discrete maximum principle. The analytical method used was derived on the postulate that natural selection maximized the net reproductive rate subject to a few constraints. A comparison between the theoretical and observed survival rate showed that the former was discernibly lower than the latter in all the populations except the three species. For the reasons mentioned below, however, the analyzed life history data should not be interpreted as a refutation of the adopted postulate and the method. First, it is generally very difficult to obtain a good estimate of the rate with traditional methods. Moreover, it is probable in most fish populations that the rate considerably changes with age even in the adult stage though it is usually estimated on the assumption that it is constant in a certain age range. Second, an intense fishing pressure possibly alters the life history characteristics of fish populations to some extent.
Prolonged mating in the melon fly, Dacus cucurbitae (Diptera: Tephritidae): Competition for fertilization by sperm‐loading
Authors: Tsubaki Yoshitaka , Sokei Yoshitaka
Published: December 2006

Males of the melon fly Dacus cucurbitae mate with females for 10 hours or more, usually starting at dawn and terminating at dusk. We tested the sperm‐loading hypothesis (Dickinson, 1986) that males remaining with females for long periods of time benefit by numerically overwhelming the sperm of their competitors. The amount of sperm transferred to a female increased with time after mounting. The number of feamles which laid eggs at least once during experimental periods was positively correlated with mating duration. Oviposition rate was positively correlated with mating duration, as well. Egg hatchability was not influenced by mating duration. Mating duration was a major determinant of paternity when females were doubly mated with one male for 6 hours and another male for 2 hours. Females whose first matings were longer showed first male sperm predominance, while females whose second matings were longer showed last male sperm predominance. The adaptive significance of prolonged mating by male melon flies is discussed.
Social behavior of early emerging males of a Japanese paper wasp, Polistes chinensis antennalis (Hymenoptera: Vespidae)
Authors: Kasuya Eiiti
Published: December 2006

Five cases of the early emergence of males in a Japanese paper wasp, Polistes chinensis antennalis, in which male emerged together with the first group of workers, were described. In one case of the five where the queen disappeared before the emergence of male, worker(s) produced female offspring.

The frequency of the nests where the early emergence of male was observed was 16.7% (5/30 nests). In two colonies, worker(s) and/or queen chased off males. But in an orphan nest where worker(s) produced female offspring, the dominance order among workers which was similar to that of colony without male was observed. The significance of the early emergence of male in the social evolution of wasps was discussed.
Mating aggregation of a stink bug, Megacopta punctissimum (Montandon) (Heteroptera: Plataspidae)
Authors: Hibino Yoshinori , Itô Yosiaki
Published: December 2006

Adults of a stink bug, Megacopta punctissimum, form aggregations on stems of the bush‐clover, Lespedeza crytobotria, in spring. They do not oviposit there, but feed and mate within aggregations. Oviposition is made on other leguminous plants such as the kudzu‐vine, Pueraria lobata. Mean size of aggregations (groups of two or more individuals which sit on a stem at distance less than 3 cm from their nearest neighbors) consisted of 4.4 individuals. The sex ratios within aggregations were similar to overall sex ratio of the population including solitary individuals (0.58). More than 50% of females found in aggregations were copulating. Percentage of females in copula in larger aggregations was higher than that in smaller aggregations, and this difference was considered to be caused by the higher chance of sexual enconters in larger aggregations. It was suggested that the aggregation of this species on the bush‐clover is not a ‘harem’ (a male monopolizes a group of females reported in some other stink bugs) but is mating aggregation to raise the chance of mating.
Density‐related mortality of the flour beetle, Tribolium confusum duval
Authors: Daly P. J. , Ryan M. F.
Published: December 2006

Life tables were constructed to assess the relative importance of some factors causing mortality of Tribolium confusum and to gauge their response to increasing population density. Observations focussed on three population densities (100, 400 and 800 individual/8 g medium) from the egg to the adult stage. The medium was not renewed in order to maximize predatory interactions.

Generation mortality at densities 100, 400 and 800 was 42%, 50% and 74% respectively, i. e. density‐dependent. Mortality in the first 10 days was also density‐dependent reaching a maximum of 27% at density 800: predation by small larvae on eggs seemed the principal causative factor. The overall pattern of larval mortality was density‐independent. Data on the mortality of pupae and callows were ultimately consistent with an inversely density‐dependent pattern. Apparently, only mortality occurring within the first 10 days was capable of population regulation.
Study of the Δ12‐desaturase system ofLipomyces starkeyi
Authors: Lomascolo Anne , Dubreucq Eric , Galzy Pierre
Published: December 2006

The specific activity of the microsomal Δ12‐desaturase system, which transforms oleic acid into linoleic acid, was about 16 pmol/min/mg protein. However, most of the total activity was nonsedimentable even after a 200000×g centrifugation for 100 min. The study of various physicochemical parameters showed that this enzymatic complex, functioning optimally between pH 7 and 8, had low thermal stability. Ca2+, which may cause an aggregation of the microsomes, and Hg2+ completely inhibited the activity, whereas Mg2+, Mn2+, and Zn2+ were activators. The Δ12‐desaturase system was relatively specific toward oleic acid, though isomers of this fatty acid also had an action, either as substrates or as competitive inhibitors, on the activity of the system. The study of the effect of the exogenous oleoyl‐CoA and elaidoyl‐CoA on the specific activity of the Δ12‐desaturase system showed a preference toward oleoyl‐CoA.
Stimulation of microsomal cholesterol ester hydrolase by glucagon, cyclic AMP analogues, and vasopressin in isolated rat hepatocytes
Authors: Hernández María L. , Martínez María J. , Ruiz José I. , Ochoa Begoño
Published: December 2006

Short‐term activation of microsomal cholesterol ester hydrolase by glucagon, cAMP analogues, and vasopressin in isolated rat hepatocytes is described. Glucagon led to a dose‐and time‐dependent activation of cholesteryl oleate hydrolysis, but values returned to basal levels within 120 min. Exposure of isolated hepatocytes to 0.5 mM concentrations of dibutyryl‐cAMP or 8‐[4‐chlorophenylthio]‐cAMP, or 25 μM forskolin caused persistent activation of cholesterol ester hydrolase activity after a lag period of 30 min. The three agents resulted in early marked intracellular accumulation of cAMP that declined progressively, and moderate and sustained reductions in the diacylglycerol content. The actions of glucagon on hepatocytes were inhibited by pretreatment of cells with 10 nM [8‐arginine] vasopressin. Vasopressin elicited a consistent and sustained increase in cholesterol ester hydrolase activity and diacylglycerol without affecting cAMP while reducing the effect of glucagon on cAMP. Furthermore, the effects of glucagon and vasopressin on the activation of cholesterol ester hydrolase were not additive despite the similarity of their stimulation of diacylglycerol formation. Blockade of vasopressin‐mediated activation of cholesterol ester hydrolase and diacylglycerol content were induced by excess prazosin. These data suggest that stimulation of microsomal cholesterol ester hydrolase in isolated liver cells may involve at least two signal transduction systems.
Determination of positional distribution of butyryl groups in milkfat triacylglycerols, triacylglycerol mixtures, and isolated positional isomers of triacylglycerols by gas chromatography and1H nuclear magnetic resonance spectroscopy
Authors: Kalo Paavo , Kemppinen Asmo , Kilpeläinen Ilkka
Published: December 2006

Positional isomers (1‐butyryl‐2X‐3Y‐rac‐glycerol and 2‐butyryl‐1X‐3Y‐rac‐glycerol;X,Y=long‐chain acyls) of saturated triacylglycerols (TAG) with 34 and 40 acyl carbons were shown to separate in two chromatographic peaks on immobilized phenyl(65%) methylsilicone column by gas‐liquid chromatography, and on reversed‐phase ODS‐1 column by high‐performance liquid chromatography. The analysis of 500‐MHz1H nuclear magnetic resonance (NMR) spectra showed distinct differences between 2‐butyryl‐1X‐3Y‐rac‐glycerol and 1‐butyryl‐2X‐3Y‐rac‐glycerol isomers in the resonance signals of methylene and methine protons of glycerol backbone, and carbon‐2 methylene of acyl groups, and methyl protons of butyryl group. The1H NMR spectra of three interesterified mixtures of three monoacid TAG containing saturated butyrate and caproate TAG and unsaturated butyrate TAG showed that triplets of methyl protons of butyryl groups atsn‐1(3)‐ andsn‐2‐positions in saturated and unsaturated TAG had similar chemical shifts and that the chemical shift of caproyl methyl protons was different from those of butyryl methyl protons. The positional distribution of butyryl groups in isolated positional isomers of butyrate TAG, interesterified TAG mixtures, and natural and interesterified butteroil can be determined by integration of these signals.
Reaction of lipids containing hydroxy groups with trimethylsulfonium hydroxide: Formation ofO‐methyl derivatives
Authors: Vosmann Klaus , Schulte Erhard , Klein Erika , Weber Nikolaus
Published: December 2006

Base‐catalyzed transesterification of acyl lipids with trimethylsulfonium hydroxide (TMSH) is an easy and convenient method for the preparation of fatty acid methyl esters (FAME) for gas chromatography (GC) analyses. We have found, however, that lipids containing hydroxy groups are partially converted to the correspondingO‐methyl ether derivatives which may interfere with FAME in GC separations. For example, long‐chain alcohols are found to be converted to alkyl methyl ethers,rac‐1‐O‐alkylglycerols to the corresponding 2‐O‐and 3‐O‐monomethyl ethers, as well as 2,3‐di‐O‐methyl ethers, hydroxy fatty acids to methoxy FAME, and cholesterol to cholesteryl 3β‐methyl ether. From our results, it is obvious that TMSH derivatization method is not recommended without limitation for lipids containing hydroxy groups; it may be, however, of some diagnostic value for the analysis of such lipids by GC/mass spectrometry.
Colors and patterns of an intertidal snail, Thais lamellosa
Authors: Spight Tom M.
Published: December 2006

Shell patterns and colors and the genetic complexity of the polymorphism of the marine snail, Thais lamellosa, are similar to those of several terrestrial pulmonates. Frequent parallel evolution of such complex polymorphisms must reflect a substantial selective advantage. To form a hypothesis to account for pattern evolution, morph compositions of several populations were quantified and compared with environmental qualities. All three primary colors were found at only two of five sites. Shells with many banding patterns were found; however, the most common pattern of one site was rare or absent at most other sites. Snails were fed monotonous diets of barnacles or mussels for 7 months to evaluate the importance of diet. Colors deposited in most shells were diluted progressively during the period and, like siblings in the field, most snails had white shells at the end of the experiment. No morph characteristics could be attributed to diet. Patterns are usually prominent only on juveniles, and may be obscured for much of the juvenile period, so the colors and patterns distinguish snails from each other for only a short portion of their lives. Morph differences from site to site are correlated with environmental differences. Environmental qualities could affect densities of the principal predator, Cancer productus, and thus predation intensity, or could affect the relative visible qualities of the morphs.
Population structural changes in single species of flour beetles with ozone as an environmental factor
Authors: Erdman Howard E.
Published: December 2006

Although a 5 hour monthly exposure for 16 months to 45.0 ppm O3 at 0.3l/min. reduced the numbers of individuals in single‐species populations of T. confusum and T. castaneum, it did not result in elimination or a significant decrease in numbers which would be useful in a control program for these flour beetle species.

During the first 5 months of culture, ozone had a stimulating effect on productivity of T. confusum; a similar effect was not noted for T. castaneum.

Control of flour beetles by ozone in stored‐products seems unlikely; however, ozone in an integrated control program with ionizing radiation might prove beneficial.

Biological interpretations are offered to explain the responses of these species to ozone exposures.

Further research is warranted to define ozone modifications in pest control programs and on stored‐products per se.
On “intercolonial” cannibalism in Japanese paper wasps, Polistes chinensis antennalis Pérez and P. Jadwigae dalla torre (hymenoptera: Vespidae)
Authors: Kasuya Eiiti , Hibino Yoshinori , Itô Yosiaki
Published: December 2006

Foundresses of two species of Japanese paper wasps, Polistes chinensis antennalis and P. jadwigae, attacked other colonies of the same species. A foundress of P. chinensis antennalis visited two nests of the same species, and ate larvae from them, while two foundresses of P. jadwigae each visited a nest of the same species, eating larvae and pupae even when the foundress of the attacked nest was on her nest. In addition, a foundress of P. jadwigae distributed flesh balls thus obtained among their larvae. Discussion was made on the adaptive significance of the inter‐colonial cannibalism. It was considered that, at first, it increases the foraging efficiency and secondly it plays a role in regulating population density.
Functional response, numerical response, and stability in arthropod predator‐prey ecosystems involving age structure
Authors: Wollkind D. J. , Hastings A. , Logan J. A.
Published: December 2006

A general model of arthropod predator‐prey systems incorporating age structure in the predator is employed to study the role of functional and numerical responses on stability and the paradox of enrichment. The destabilizing effect of age structure leads to both qualitatively and quantitatively new results for an environment which has an infinite prey carrying capacity, including a lower bound to prey density for a stable equilibrium, a feature not present in models without age structure. When applied to an environment with finite prey carrying capacity, the effect of age structure is to reinforce the arguments implicit to the paradox of enrichment originally developed for traditional models lacking age structure.