bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical chemical characterization of energetic materials
Authors: Rice Betsy M. , Byrd Edward F.C.
Published: October 2006

Our research is focused on developing computational capabilities for the prediction of properties of energetic materials associated with performance and sensitivity. Additionally, we want to identify and characterize the dynamic processes that influence conversion of an energetic material to products upon initiation. We are attempting to achieve these goals through the use of standard atomistic simulation methods. In this paper, various theoretical chemistry methods and applications to energetic materials will be described. Current capabilities in predicting structures, thermodynamic properties, and dynamic behavior of these materials will be demonstrated. These are presented to exemplify how information generated from atomistic simulations can be used in the design, development, and testing of new energetic materials. In addition to illustrating current capabilities, we will discuss limitations of the methodologies and needs for advancing the state of the art in this area.
Effect of adhesion energy on the contact stiffness in nanoindentation
Authors: Yang Fuqian
Published: October 2006

The effect of surface interaction on nanoindentation testing using a rigid conical indenter is analyzed. A relation between the indentation depth and the indentation load is established as a function of the adhesion energy between the indenter and the surface of an elastic material. A closed-form solution of the contact stiffness for adhesive contact is obtained. The contact stiffness in the presence of surface interaction is always less than that for contact without surface interaction at the same indentation depth, while it is always larger than that for adhesion-less contact subjected to the same indentation load. A lower bound is established, which determines the working zone to operate to avoid the effect of surface interaction in the characterization of the contact modulus.
Nanoscale control of silica morphology and three-dimensional structure during diatom cell wall formation
Authors: Hildebrand Mark , York Evelyn , Kelz Jessica I. , Davis Aubrey K. , Frigeri Luciano G. , Allison David P. , Doktycz Mitchel J.
Published: October 2006

We present a unique approach combining biological manipulation with advanced imaging tools to examine silica cell wall synthesis in the diatomThalassiosira pseudonana. The innate capabilities of diatoms to form complex 3D silica structures on the nano- to micro-scale exceed current synthetic approaches because they use a fundamentally different formation process. Understanding the molecular details of the process requires identifying structural intermediates and correlating their formation with genes and proteins involved. This will aid in development of approaches to controllably alter structure, facilitating the use of diatoms as a direct source of nanostructured materials. InT. pseudonana, distinct silica morphologies were observed during formation of different cell wall substructures, and three different scales of structural organization were identified. At all levels, structure formation correlated with optimal design properties for the final product. These results provide a benchmark of measurements and new insights into biosilicification processes, potentially also benefiting biomimetic approaches.
Impression stress relaxation of Sn3.5Ag eutectic alloy
Authors: Yang Fuqian , Peng Lingling , Okazaki Kenji
Published: October 2006

The reliability of microelectronic interconnections depends on hot deformation of solders. In this work, we studied the localized stress relaxation of Sn3.5Ag eutectic alloy using the impression testing in the temperature range of 393–488 K. By incorporating the effect of internal stress in the analysis, we obtained the strain rate-stress exponent of 6.59. The activation energy for the stress relaxation is in the range from 38.6 to 43.8 kJ/mol, which compares well with the estimated activation energy of dislocation pipe diffusion, 46 kJ/mol, in pure tin. This suggests that a single mechanism of dislocation climb limited by dislocation pipe diffusion might be the controlling mechanism for the localized stress relaxation of the Sn3.5Ag eutectic alloy.
Privacy Protection Versus Cluster Detection in Spatial Epidemiology
Authors: Olson Karen L. , Grannis Shaun J. , Mandl Kenneth D.
Published: October 2006

Objectives. Patient data that includes precise locations can reveal patients’ identities, whereas data aggregated into administrative regions may preserve privacy and confidentiality. We investigated the effect of varying degrees of address precision (exact latitude and longitude vs the center points of zip code or census tracts) on detection of spatial clusters of cases.

Methods. We simulated disease outbreaks by adding supplementary spatially clustered emergency department visits to authentic hospital emergency department syndromic surveillance data. We identified clusters with a spatial scan statistic and evaluated detection rate and accuracy.

Results. More clusters were identified, and clusters were more accurately detected, when exact locations were used. That is, these clusters contained at least half of the simulated points and involved few additional emergency department visits. These results were especially apparent when the synthetic clustered points crossed administrative boundaries and fell into multiple zip code or census tracts.

Conclusions. The spatial cluster detection algorithm performed better when addresses were analyzed as exact locations than when they were analyzed as center points of zip code or census tracts, particularly when the clustered points crossed administrative boundaries. Use of precise addresses offers improved performance, but this practice must be weighed against privacy concerns in the establishment of public health data exchange policies.
Effects of Sex Work on the Prevalence of Syphilis Among Injection Drug Users in 3 Russian Cities
Authors: Platt Lucy , Rhodes Tim , Judd Ali , Koshkina Evgeniya , Maksimova Svetlana , Latishevskaya Natalia , Renton Adrian , McDonald Tamara , Parry John V.
Published: October 2006

Objectives. We examined risk factors for syphilis infection among injection drug users in 3 Russian Federation cities, focusing particular attention on the potential roles of gender and sex work.

Methods. We conducted a cross-sectional survey of injection drug users in Moscow, Volgograd, and Barnaul, collecting behavioral data and testing for antibodies to Treponema pallidum. Associations between presence of antibodies to T pallidum and covariates were explored.

Results. Overall, the prevalence of antibodies to T pallidum was 11% (95% confidence interval=9.7%, 13.1%). Syphilis was associated with involvement in sex work and with gender in Moscow and Barnaul but not in Volgograd. Female injection drug users not involved in sex work were more likely than men to be younger and to have recently begun to inject; female injection drug users involved in sex work were more likely than those not involved in sex work to inject daily.

Conclusions. Syphilis transmission dynamics varied by region. Sex work can increase syphilis risk among injection drug users, potentially feeding the momentum of sexually transmitted HIV and syphilis among noninjectors. Targeted interventions are needed to reduce both sexual and injection risk behaviors among injection drug users.
Ashkenazi Jews and Breast Cancer: The Consequences of Linking Ethnic Identity to Genetic Disease
Authors: Brandt-Rauf Sherry I. , Raveis Victoria H. , Drummond Nathan F. , Conte Jill A. , Rothman Sheila M.
Published: October 2006

We explored the advantages and disadvantages of using ethnic categories in genetic research. With the discovery that certain breast cancer gene mutations appeared to be more prevalent in Ashkenazi Jews, breast cancer researchers moved their focus from high-risk families to ethnicity. The concept of Ashkenazi Jews as genetically unique, a legacy of Tay–Sachs disease research and a particular reading of history, shaped this new approach even as methodological imprecision and new genetic and historical research challenged it.

Our findings cast doubt on the accuracy and desirability of linking ethnic groups to genetic disease. Such linkages exaggerate genetic differences among ethnic groups and lead to unequal access to testing and therapy.
Trinexapac‐Ethyl and Open‐Field Burning Maximize Seed Yield in Creeping Red Fescue
Authors: Zapiola Maria L. , Chastain Thomas G. , Garbacik Carol J. , Silberstein Thomas B. , Young William C.
Published: October 2006

Open‐field burning, an effective and economical practice for increasing seed yield in creeping red fescue (Festuca rubra L.), has been restricted in Oregon due to air quality and safety issues. The use of the plant growth regulator trinexapac‐ethyl [4‐(cyclopropyl‐α‐hydroxy methylene)‐3,5‐dioxocyclohexane carboxylic acid ethyl ester] (TE) was evaluated as a potential alternative to open‐field burning for maximizing yield in creeping red fescue over 4 yr. Fall and spring applications of TE in combination with residue management practices, open‐field burning and mechanical removal (flailing) of post‐harvest residue, were evaluated to determine potential effects on seed yield and dry matter partitioning. Spring TE applications in burn plots increased cumulative seed yield by 38% over the check. In flail plots, spring TE applications increased yield by 30 and 16% over the burn check for the first 2 yr, but no response was observed later. Open‐field burning was critical for maintaining high yields in the last 2 yr. Although late‐spring TE applications in flail plots resulted in cumulative yields comparable to those of burn check plots, yields were 34% lower than those of burn, TE spring‐treated plots. Fall TE applications had no consistent effect on seed yield. Therefore, neither spring nor fall TE applications are an effective alternative to replace open‐field burning in creeping red fescue seed production over the life of the stand if seed yield is to be maximized. Spring TE applications plus open‐field burning maximized seed yield and had the greatest harvest index, resulting in a more efficient crop.
Mixed Paper Mill Sludge Effects on Corn Yield, Nitrogen Efficiency, and Soil Properties
Authors: N'Dayegamiye Adrien
Published: October 2006

Large quantities of mixed paper mill sludges (PMS) are applied annually to agricultural soils in North America. However, little information exists in the literature delineating the impact of land application of PMS on crop N nutrition and soil properties. In a 3‐yr field study, (1997–1999), we evaluated PMS effects on corn (Zea maysL.) yields and soil property changes. The study included annual and biennial PMS applications of 20, 40, and 60 Mg ha−1on wet basis, applied alone or in combination with N fertilizer at reduced rates (90 and 135 kg N ha−1for 40 and 20 Mg PMS ha−1, respectively), complete N fertilizer for corn (180 kg N ha−1) and a control. Plots were split beginning with the second year for annual and biennial PMS and N fertilizer application. Annual or biennial applications of PMS alone resulted in grain yield increase of 1500 to 3000 kg ha−1as compared to the unfertilized control. The applications of 20 to 40 Mg ha−1. PMS with N fertilizer at reduced rates (135 and 90 kg ha−1respectively) achieved higher corn yields compared to PMS applied alone. The PMS applications combined with N fertilizer at reduced rates produced highest corn yields, similar to those obtained with complete N fertilization for corn (180 kg N ha−1). Corn apparent N recoveries (ANR) ranged from 17 to 21% in year of application and from 15 to 22% in residual year, depending of PMS rates. Three PMS applications at 40 to 60 Mg ha−1yr−1significantly increased the soil C content by 22 and 26%, and by 18 and 22%, compared to the control and N fertilizer, respectively. Those PMS applications also significantly increased the mean‐weight diameter (MWD) of aggregates, and reduced soil bulk density as compared to the control and fertilizer alone treatment. The soil microbial biomass C and the alkaline phosphatase and urease activities were also increased in soils that received PMS. Our results suggest that the applications of PMS with low C/N (19–24) benefit corn growth possibly due to a combination of the higher nutrient availability and the improvement of the soil properties.
Conservation Practices in Western Oregon Perennial Grass Seed Systems: II. Meadowfoam Rotation Crop Management
Authors: Steiner J. J. , Mueller‐Warrant G. W. , Griffith S. M. , Banowetz G. M. , Whittaker G. W.
Published: October 2006

Rapid changes in practices used to produce perennial grass seed crops in the U.S. Pacific Northwest region and shortened lengths of time that perennial grass seed fields remain in production have increased the need for additional rotation crops that are adapted to the poorly drained soils found in western Oregon. This research was conducted at three sites to determine ways to manage meadowfoam (Limnanthes alba Hartw. ex Benth.) as a component in perennial grass seed rotation systems. Experiments were conducted in 1997, 1998, and 2001 to investigate combinations of spring‐applied herbicide and N fertilizer and times of applications, direct‐seeded and conventional tillage establishment methods, and previous crop residue management on meadowfoam seed yield, seed oil concentration, and oil yield. No spring‐applied fertilizer or herbicide produced responses for all yield components as great as or greater than any other treatment combination. Direct‐seeded meadowfoam yielded more oil than the conventional establishment treatment. There was no effect of residue management amounts from grass seed grown in the previous rotation sequence on meadowfoam production; however, maximal residue management, especially if used in combination with direct‐seeded meadowfoam, should reduce annual soil erosion. Meadowfoam is suited to low‐input production and is adapted to the use of conservation practices including direct seeding and maximal residue management in perennial grass seed systems.
Row Width and Maize Grain Yield
Authors: Maddonni Gustavo A. , Cirilo Alfredo G. , Otegui M. E.
Published: October 2006

Maize (Zea mays L.) grain yield increase in narrow rows (0.35–0.50 m) may be related to the improvement of light interception around silking, but percentages of grain yield increase are generally lower than those of light interception, suggesting a lower efficiency to convert the amount of intercepted photosynthetic active radiation (IPAR) into aboveground phytomass. We analyzed the effects of plant population and row spacing on grain yield and its components (kernel number and kernel weight) and on the underlying processes, the IPAR around silking and during the effective grain filling period, and radiation use efficiency (RUE) during both periods. Field experiments were conducted in Argentina from 1997 to 2001. Five hybrids were cultivated at a wide range of plant population densities (3, 4.5, 9, and 12 plants m−2) and row spacings (0.35, 0.50, 0.70, and 1 m) without water and nutrient limitations. Row spacing reduction increased IPAR around silking at low plant densities (≈8 and 4% for 3–4.5 and 9–12 plants m−2, respectively) but did not modify RUE during this period. Morphogenetic limitations in the reproductive organs of plants (number of florets per ear) cultivated at low stand densities, suppressed the slight benefits of enhanced light capture under narrow rows, yielding similar kernel numbers at any row spacing. Contrarily, a postsilking RUE reduction (≈13–16%) of crops in narrow rows compared to those in wide rows minimized or counterbalanced any positive effect on IPAR during the grain‐filling period. Hence, for the tested growing conditions, no benefits could be expected in terms of grain yield by reducing row spacing from the present 0.7‐ to 0.8‐m inter‐row distance.
Solid and Liquid Cattle Manure Application in a Subarctic Soil: Bromegrass and Oat Production and Soil Properties
Authors: Zhang M. , Gavlak R. , Mitchell A. , Sparrow S.
Published: October 2006

An experiment was conducted in subarctic Alaska from 1999 to 2001 to determine the effect of liquid and solid cattle (Bos taurus) manure application rates on smooth bromegrass (Bromus inermisLeyss.) and oat (Avena sativaL.) biomass production, nutrient uptake, and soil properties. One‐time manure application of 100 and 200 kg N ha−1was made in May 1999 in comparison with annual fertilizer application of 50, 100, and 200 kg N ha−1. In the first year, liquid manure at 100 and 200 kg N ha−1generated 3036 and 4292 kg ha−1smooth bromegrass biomass, respectively, statistically (p≥ 0.05) similar to that of fertilizer application (3654 kg ha−1) at 200 kg N ha−1but greater (p≤ 0.05) than control (1572 kg ha−1). Similar results were found with oat. The 200 kg N ha−1liquid manure application continued to benefit crop growth in the second and third years. Solid manure did not influence biomass production of either crop in most crop/year combinations. Cumulatively, in 3 yr, smooth bromegrass recovered 59% of nitrogen from liquid manure, compared with 37% by oat. Soil Mehlich 3–P accumulation was found in some liquid and solid manure treatments for both crops. High soil exchangeable K was found in 1999 after liquid manure application but declined over time. Our results suggest that 100 kg N ha−1liquid manure can replace nitrogen fertilizer at a similar rate. Liquid cattle manure was better than solid cattle manure in promoting bromegrass and oat production.
Management Practice Effects on Surface Total Carbon: Differences in Spatial Variability Patterns
Authors: Kravchenko A. N. , Robertson G. P. , Hao X. , Bullock D. G.
Published: October 2006

Lack of information about the spatial variability of soil C in different management systems limits accurate extrapolation of C sequestration findings to large scales. The objectives of this study were to: (i) describe and quantify variability of total C in three management systems, chisel‐plow (CT) and no‐till (NT) with conventional chemical inputs and a chisel‐plow organic management practice with cover crops (CT‐cover) 15 yr after conversion from conventional management; (ii) assess the strengths of spatial correlation in the three studied systems; and (iii) evaluate contributions of topography and texture to the overall total C variability and its spatial components. The data were collected at 12 60 by 60 m plots at the Long Term Ecological Research site, Kellogg Biological Station, MI. The data consisted of elevation measurements taken on a 2 by 5 m grid and a total of 1160 measurements of total C, sand, silt, and clay contents taken from the 0‐ to 5‐cm depth. Overall variability of total C in NT was more than four times greater than in CT, and in CT‐cover the variability was more than two times greater than CT. Spatial correlation of total C was the strongest in NT, followed by CT‐cover, and then by CT. Stronger spatial structures in NT and CT‐cover were found to form in response to topographical and texture gradients. Effects of texture were largely associated with topographical effects; however, even when topography was controlled for, texture still substantially contributed to explaining total C variability.
Innovative Bauweisen mit Sonderbetonen: Lösung bautechnischer Herausforderungen beim Umbau der Schleuse Rahe ermöglicht Schleusenbetrieb während der Baumaßnahme
Authors: Petersen Lasse , Lohaus Ludger , Schönebeck Dieter
Published: October 2006

Innovation und der Mut zu technisch anspruchsvollen Erstanwendungen zahlt sich im Baustellenalltag immer häufiger aus. Technisch durchdachte Sondervorschläge mit innovativen Erstanwendungen sind dabei längst nicht mehr besonders exponierten Großprojekten vorbehalten. Vielmehr scheint sich mehr und mehr durchzusetzen, auch bei kleineren und mittleren Baumaßnahmen durch innovative Sondervorschläge technisch hochwertigere oder aber kostengünstigere Vorgehensweisen zu entwickeln und damit dem allgemeinen Preiskampf auszuweichen. Dabei liegt ein großes Potential in der Entwicklung projektspezifischer Sonderbetone, die deutlich effektivere Bauverfahren ermöglichen. Der vorliegende Bericht beschreibt den Umbau der Schleuse Rahe bei Aurich, bei der im Rahmen eines Sondervorschlages erstmals ein neuartiges Bauverfahren mit großformatigen, auf der Baustelle hergestellten Fertigteilen eingesetzt wurde. Die Fertigteile wurden im Rahmen einer Unterwasserverfüllung mit einem selbstnivellierenden und gleichzeitig erosionsstabilen Zementleim oder aber mit einem Selbstverdichtenden Unterwasserbeton vergossen.
Development, implementation and prospective evaluation of guidelines for transfer of severely injured children to specialist centres
Authors: Patterson M , Jones M , Lloyd D A
Published: October 2006

Background

Most injured children are appropriately treated at a district general hospital (DGH), but some require transfer to a specialist centre. The objectives of this study were to develop, implement and evaluate triage guidelines for the rapid recognition of injured children who require transfer.

Methods

This was a prospective, interventional cohort study of the 592 seriously injured children who presented to five regional DGHs during a 51-month period. A multispecialty steering group representing all participating DGHs developed and implemented the guidelines. Data were collected for 24 months before the guidelines were introduced, over the 3-month implementation period and for 24 months afterwards. Outcome measures were referral and management patterns before and after introduction of the guidelines.

Results

For level I (unstable) patients, after the implementation of guidelines there was a 29 per cent increase in the proportion of transfers to a specialist centre (from 40 (68 per cent) of 59 to 32 (97 per cent) of 33; P = 0·003), no admissions to a DGH intensive care unit and all 12 operations were performed at a specialist centre. Guideline users indicated that they were familiar with the guidelines.

Conclusion

The introduction of triage guidelines within an effective communication network was associated with changes in the management of severely injured children.
Do tests of malingering concur? Concordance among malingering measures
Authors: Farkas Melanie R. , Rosenfeld Barry , Robbins Reuben , van Gorp Wilfred
Published: October 2006

Malingering test accuracy is increasingly a major issue in psychology and law. Integrating results across measures might offset limitations of a single test, but the practical benefits of using several tests depend on the extent to which they misclassify the same individuals. Data from 66 evaluatees were used to assess the degree of overlap and consistency of classification among several commonly used malingering instruments. Although correlative data indicated that measures were highly redundant even across symptom domains, classification accuracy analyses revealed that findings based on conjunctions of these scales may not overlap to the degree that the correlations might suggest. Copyright © 2006 John Wiley & Sons, Ltd.
Adults' ability to detect children's lying
Authors: Crossman Angela M. , Lewis Michael
Published: October 2006

Adults are poor deception detectors when examining lies told by adults, on average. However, there are some adults who are better at detecting lies than others. Children learn to lie at a very young age, a behavior that is socialized by parents. Yet, less is known about the ability to detect children's lies, particularly with regard to individual differences in the ability to detect this deception. The current study explored adult raters' ability to discern honesty in children who lied or told the truth about committing a misdeed. Results showed that adults are no better at detecting children's lies than they are with adult lies. In particular, adults were very poor at identifying children's honest statements. However, individual differences did emerge, suggesting that the ability to detect lying in children might be facilitated by relevant experience working with children. Implications for legal and mental health contexts are discussed. Copyright © 2006 John Wiley & Sons, Ltd.
Polymeric Organometallic Architectures of Novel PSe Anions
Authors: Shi Weifeng , Shafaei‐Fallah Maryam , Zhang Le , Anson Christopher E. , Matern Eberhard , Rothenberger Alexander
Published: October 2006

The characterisation of a series of compounds obtained from Woollins' reagent (W.R.) offers a novel approach to organometallic coordination polymers. The syntheses were achieved by nucleophilic ring‐opening reactions of W.R. with metal salts and crystallisation using solvent‐diffusion techniques. One‐dimensional coordination polymers are formed as a result, and we demonstrate that the dimensionality of the polymers can be influenced by using hydrated metal salts or by the construction of heterometallic arrangements.
The Self‐Ordering Properties of Novel Phthalocyanines with Out‐of‐Plane Alkyl Substituents
Authors: McKeown Neil B. , Helliwell Madeleine , Hassan Bashir M. , Hayhurst David , Li Hong , Thompson Neil , Teat Simon J.
Published: October 2006

Two novel homologous series of phthalocyanines were prepared from 2,2‐dialkylindane and 2,2‐dialkyl‐1,3‐benzodioxole precursors. It was anticipated that attaching alkyl chains to five‐membered rings, fused to the peripheral sites of the phthalocyanine ring, would result in the adoption of an out‐of‐plane configuration and thereby discourage cofacial aggregation, to provide an analogy with picket‐fence porphyrins. This strategy proved partially successful. Some members of the series of phthalocyanines derived from 2,2‐dialkyl‐1,3‐benzodioxoles, in which the alkyl chains are linked to the phthalocyanine via a cyclic ketal, form spin‐coated thin films in which the phthalocyanine cores are perfectly isolated. This behaviour is associated with the formation of a disordered crystal that appears as a mesophase in the thermal profile of these materials. However, the phthalocyanines derived from 2,2‐dialkylindanes display a columnar mesophase over a wide temperature range, with some liquid crystalline derivatives at ambient temperature. A single‐crystal X‐ray diffraction structure of the octahexyl derivative of this series shows how the columnar assembly accommodates the out‐of‐plane alkyl chains by tilting the macrocyclic plane of the phthalocyanine components with respect to the axis of the column. This study helps to emphasise the importance of both the steric and electronic effects of substituents on the packing behaviour of phthalocyanines in the condensed phase, and especially the role of electron‐donating oxygen atoms directly attached to the ring.
Acoustical Studies of Some Schiff Bases in 1,4‐Dioxane and Dimethylformamide at 318.15 K
Authors: Baluja Shipra
Published: October 2006

From experimental data of density, viscosity and ultrasonic velocity, the various acoustical properties, such as specific impedance (Z), isentropic compressibility (κs), Rao's molar sound function (Rm), the van der Waals constant (b), molar compressibility (W), intermolecular free length (Lf), relaxation strength (r), internal pressure (π), free volume (Vf), solvation number (Sn) etc., were calculated for three Schiff bases in 1,4‐dioxane and dimethylformamide (DMF) at 318.15 K. The results are interpreted in terms of molecular interactions occurring in the solutions.
Comparative Analysis of the Volatile Components in the Fresh Roots and Rhizomes of Curcuma wenyujin by Static Headspace Gas Chromatography Mass Spectrometry
Authors: Fang Fang , Cheng Zhi‐Hong , Guo Yin‐Long , Cai Yan‐Ben
Published: October 2006

Static headspace GC‐MS method coupled with H/D exchange was firstly developed to determine and identify the volatile components in the fresh root and rhizome of Curcuma wenyujin. The TIC chromatograms of 3 batches of fresh roots harvested at different time showed significant difference in the volatile components:the constitution was the same but the content of them was different. More than 60 volatile components in fresh roots (Root of C. wenyujin) and rhizomes (Rhizome of C. wenyujin) of C. wenyujin were detected, of which 51 and 48 volatile components were identified respectively. The fresh roots and rhizomes of C. wenyujin were found to have the similar volatile components. The contents of these components were calibrated by the response of β‐elemene. In addition, the principal active component, β‐elemene, was further confirmed and relatively quantified by its standard. γ‐terpinene showed obvious allylic hydrogen/deuterium exchange using deuterium oxide which gave a new method to identify some compounds containing allylic hydrogen. At the same time, the active hydrogen compounds were also further confirmed. The results show that HS‐GC‐MS method is a fast, simple and efficient way for the analysis of volatile components from medical plants.
Novel Hydrogen‐bonded Three‐dimensional Supramolecular Architectures Containing 2D Honeycomb Networks or 2D Grids
Authors: Li Dong‐Sheng , Zhou Cai‐Hua , Wang Yao‐Yu , Fu Feng , Wu Ya‐Pan , Qi Guang‐Cai , Shi Qi‐Zhen
Published: October 2006

Two new supramolecular complexes, [Cu(H2dhbd)(3‐pyOH)(H2O)]2·3‐pyOH·2H2O (1) and [Cu2(dhbd)(dpa)2‐ (H2O)]·6H2O (2) (H4dhbd=2,3‐dihydroxybutanedioic acid, 3‐pyOH=3‐hydroxypyridine, dpa=2,2′‐dipyridylamine), have been synthesized in aqueous solution and characterized by single‐crystal X‐ray diffraction, elemental analyses, UV‐Vis and IR spectra, and TGA analysis. X‐ray structural analysis revealed that, through four pairs of strong O···H–O hydrogen bonds, the cyclic dinuclear units in 1 together with four adjacent neighbors are connected into a 2D honeycomb network encapsulating free 3‐pyOH ligands. Unexpectedly, the water‐dimers are fixed in interlayers of 2D honeycomb network and act as hydrogen‐bond bridging to further extend these 2D networks into 3D hydrogen‐bonded framework. Complex 2 includes interesting 2D grids constructed from chiral dinuclear units through strong O···H–O and O···H–N hydrogen bonding, which are extended through other crystallization water molecules into three dimension with channels. Variable‐temperature magnetic susceptibility measurements for both complexes indicate the presence of weak antiferromagnetic exchange interactions between adjacent copper(II) ions.
New Rare Earth(III) Complexes with H2tmtaa
Authors: Wang Zeng‐Lin , Zhang Mei‐Li , Liu Zong‐Huai , Yang Zu‐Pei
Published: October 2006

A series of Ln(tmtaa)(Htmtaa)·CH2Cl2 (Ln=Sm, Tb, Er and Yb) complexes were prepared and characterized by infrared spectra, mass spectra and molecular electronic spectroscopy as well as DSC measurement. A sandwich structure containing all the eight nitrogen atoms of tmtaa and Htmtaa was proposed for these complexes. X‐ray photoelectron spectra (XPS) of these complexes revealed that four nitrogen atoms of both tmtaa and Htmtaa were chemically equivalent to each other, respectively. The acidic hydrogen of Htmtaa did not bind specifically to any nitrogen atom of Htmtaa, but was shared by all the four nitrogen atoms. The magnetic properties of these complexes were found to be in good agreement with their theoretical values.
A new Sequiterpenoid from Eupatorium adenophorum Spreng
Authors: He Lan , Yang Jie , Cao Ao‐Cheng , Liu Yu‐Mei , An Yu , Shi Jian‐Gong
Published: October 2006

A new sequiterpenoid compound 8aα‐hydroxy‐1‐isopropyl‐4,7‐dimethyl‐1,2,3,4,6,8a‐hexahydro‐naphthalene‐2,6‐dione (1), together with seven known compounds anti‐HH‐dimer‐coumarin (2), (−)‐5‐exo‐hydroxy‐borneol (3), O‐hydroxyl cinnamic acid (4), 9β‐hydroxy‐ageraphorone (5), 10Hα‐9‐oxo‐ageraphorone (6), 10Hβ‐9‐oxo‐ageraphorone (7) and 9‐oxo‐10,11‐dehydroageraphorone 8, was isolated from the leaves of Eupatorium adenophorum Spreng. The structures were elucidated by IR, 1H and 13C NMR, EIMS, HMBC and single‐crystal X‐ray spectral data.
Spectroscopic Study on the Interaction of Al3+ with Flavonoids and BSA
Authors: Tian Qiu‐Lin , Liao Sheng‐Hua , Lu Ping , Liu Li‐Juan
Published: October 2006

The interaction of Chinese herbal medicine component flavonoids (morin and rutin) with trivalent aluminium ion and the complex of aluminium ion and Bovine Serum Albumin in Hank′s artificial simulate body fluid was studied using UV‐Vis absorption spectra. The result showed that morin and rutin could conjugate with Al3+ in Hank′s artificial simulate body fluid. It was found that morin and rutin could competed with the complex of aluminium ion and Bovine Serum Albumin for aluminium ion. The mechanism of flavonoids and Bovine Serum Albumin compete aluminium ion was discussed, and the constant of rutin complex with aluminium ion was calculated.
Synthesis of New MeO‐BIPHEP‐type Chiral Diphosphines by an Improved Way
Authors: Ma Meng‐Lin , Peng Zong‐Hai , Chen Li , Guo Yu , Chen Hua , Li Xian‐Jun
Published: October 2006

In this paper, a series of new optically active MeO‐BIPHEP‐type ligands, (S)‐6,6′‐dimethoxy‐2,2′‐bis(di‐ p‐alkoxyphenyl‐phosphine)‐1,1′‐biphenyl [(S)‐5b–(S)‐5e] were prepared and characterized. Starting from the commercially available triethyl phosphorite and m‐bromoanisole, an optically active (S)‐6,6′‐dimethoxybiphenyl‐ 2,2′‐diyl‐bis(phosphonic acid diester) was prepared by an improved way and converted to the corresponding dichlorides, which was used as a key intermediate to react with p‐alkoxybenzenemagnesium bromide or p‐alkoxyphenyl lithium to directly give the enantiomerically pure diphosphines 5.
Catalytic Trimerization of Ethylene with Highly Active Half‐sandwich Titanium Complexes Bearing Pendant p‐Fluorophenyl Groups
Authors: Wang Chen , Huang Ji‐Ling
Published: October 2006

Two new complexes [η5‐C5H4CMe2‐(p‐fluorophenyl)]TiCl3 (1) and [η5‐C5H4C(cyclo‐C5H10)‐(p‐fluoro‐phenyl)]TiCl3 (2) were synthesized and characterized. Their activities and selectivities for trimerization of ethylene were investigated. The introduction of fluorine atom greatly weakened the arene coordination, but this disadvantageous factor can be eliminated by introduction of a bulky substituent, such as cyclo‐C5H10, to the bridging carbon linked to the Cp ring. The combinative effect of the fluorine substitute and the bridging unit can make complex 2 as a highly active and selective catalyst for ethylene trimerization. Its productivity and selectivity for 1‐hexene can reach 1024.0 kg·mol−1·h−1 and 99.3% respectively.
Study on the Anion Recognition Properties of Synthesized Receptors (III): Convenient Synthesis and Anion Recognition Property of Bisthiosemicarbazone Derivative
Authors: Zhang You‐Ming , Xu Wei‐Xia , Yao Hong , Wei Tai‐Bao
Published: October 2006

A new series of bisthiosemicarbazone derivative receptors (1, 2 and 3) have been synthesized by simple steps in good yields. Their anion recognition properties were studied by UV‐Vis and 1H NMR spectroscopy. The result showed that the receptors 1, 2 and 3 all had a better selectivity to F−, CH3COO− and H2PO4−, but no evident binding with Cl−, Br−, I−, NO3− and HSO4−. Upon addition of the three anions to the receptors in DMSO, the solution acquired a color change from colorless to dark yellow that can be observed by the naked‐eyes, thus the receptors can act as fluoride ion sensors even in the presence of other halide ions. The data showed that it was regular that the three receptors had different binding ability with the three anions. For the same anion, the association constants followed the trend: receptor 1>3>2. The UV‐Vis data indicates that a 1:1 stoichiometry complex is formed through hydrogen bonding interactions between compound 1, 2 or 3 and anions.
Syntheses of Aladan and [Ald6]loloatin C and Study on Their Fluorescent Properties
Authors: Chen He‐Ru , Guo Xi‐Kun , Zhong Xian‐Bin
Published: October 2006

Aladan {β‐[6′‐(N,N‐dimethyl)amino‐2′‐naphthoyl]alanine} and aladan‐containing cyclodecapeptide [Ald6]‐ loloatin C were synthesized. The properties of their fluorescent behaviours both in aqueous buffer and micelles created by sodium dodecylsulfate (SDS) and dodecylphosphorylcholine (DPC) were further investigated. It was found that in either of micelle systems, [Ald6]loloatin C possesses red‐shift emission maximum wavelength and higher quantum yield. This property could be useful in the research of peptide‐cell membrane interaction.
Novel Roles of Metal Ions in Layered Self‐assembled Films of Polynuclear Complexes on Their Photoinduced Electron Transfer Properties
Authors: Wei Tian‐Xin , Liu Meng‐Jun , Huang Chun‐Hui , Yu Xiao‐Feng , Huang Hui‐Zhong , Wu Nian‐Zu , Xie Pu‐Hui , Zhang Bao‐Wen
Published: October 2006

Three metal ion bridged self‐assembled (SA) films of cis‐di(thiocyanato)‐bis(2,2′‐bipyridyl‐4,4′‐dicarboxylate) ruthenium were fabricated and characterized by contact angle, UV spectra, cyclic voltammetry and XPS. Their photoinduced electron transfer properties (PETP) were examined. Among the titled systems, the highest steady anodic photocurrent of 1773–1843 nA/cm2 and the highest quantum yield of 3.2% were achieved. The effects of incident light intensity, bias voltage, and electron donor were also studied. The possible mechanism of electron transfer was proposed. The results reveal that different metal ion in SA films could affect significantly the photoinduced electron transfer property. Our experimental results clearly show that bridging metal ions can play both functional and structural roles in these self‐assembled systems. This method of forming functional films can provide a new approach to regulate the property of similar systems.
A Novel Synthesis of 2‐Amino‐2‐deoxy‐D‐gluconic Acid and Its Complexation with Cu(II) in Alkaline Medium
Authors: Gu Wen‐Xiu , Xia Wen‐Shui
Published: October 2006

A novel synthesis of the functional carbohydrate 2‐amino‐2‐deoxy‐D‐gluconic acid was introduced and its complex formation with Cu(II) was investigated to obtain the stability constant for its further applications to the food and pharmaceutical industries. The equilibrium was investigated by spectrophotometric measurements and processed by dual‐series linear regression method. Results:the yield of 2‐amino‐2‐deoxy‐D‐gluconic acid is 70%. The complexation molar ratio is 1:2, the molar apsorptivity of the complex is 39.906 L·mol−1·cm−1 at 630 nm, and the stability constant β nis 6.24×105.
An Unexpected Discovery in the Willgerodt‐Kindler Reaction of Acetophenone––the Formation of the 4‐(Benzoylthio‐carbonyl)morpholine
Authors: Liu Wei‐Wei , Zhao Yue‐Qiang , Xu Rui‐Bo , Tang Li‐Juan , Hu Hong‐Wen
Published: October 2006

The Willgerodt‐Kindler reaction of acetophenone was studied. Apart from the normal product 4‐(benzylthiocarbonyl)morpholine, another product 4‐(benzoylthiocarbonyl)morpholine was obtained unexpectedly. The structure of the latter was confirmed by IR, 1H NMR spectra and X‐ray diffraction analysis. The mechanism of the reaction was discussed.
A Facile Method for the Epoxidation of Cyclic Enone Catalyzed by tert‐BuNH2 with 30% Hydrogen Peroxide as Oxidant
Authors: Ouyang Xiao‐Yue , Jiang Huan‐Feng , Huang Jing‐Mei
Published: October 2006

It was found that tert‐BuNH2 is an efficient catalyst for epoxidation of α,β‐unsaturated ketones with 30% H2O2 under mild conditions. For most of the cyclic unsaturated ketones used, moderate to excellent yields (45%–93%) were obtained within 24 h period.
Effects of human contact and vagal regulation on pain reactivity and visual attention in newborns
Authors: Arditi Hadar , Feldman Ruth , Eidelman Arthur I.
Published: October 2006

In two experiments we examined the effects of human contact and vagal regulation on newborns' pain reactivity and visual attention. Baseline cardiac vagal tone was measured during quiet sleep and during the experiment, and vagal withdrawal was indexed as change in vagal tone from baseline to pain (study 1) or attention (study 2). In study 1, 62 healthy newborns were videotaped during a heel‐prick procedure and pain reactivity was assessed from micro‐level coding of facial expressions, cry behavior, and body movements. Infants were randomly assigned to a contact condition, held by a female assistant, or a no contact condition, on an infant‐seat in a similar angle. In study 2, 62 additional healthy newborns, randomly assigned to contact and noncontact conditions, were presented with 2 visual stimuli for a 60 s familiarization period, which were then paired with a novel stimulus. Visual interest, alertness, and novelty preference were coded. Human contact had no effect on the newborns' pain response. Visual attention increased with human contact and newborns in the contact condition looked at the stimuli more frequently, with higher alertness, for longer durations, and had a higher novelty preference. Autonomic reactivity—as indexed by vagal withdrawal‐differentiated newborns with intense and mild pain response. Discussion focused on proximity to conspecifics as a contributor to emerging regulatory and adaptive functioning in the human infant. © 2006 Wiley Periodicals, Inc. Dev Psychobiol 48: 561–573, 2006.
Head‐cocking as a form of exploration in the common marmoset and its development
Authors: Kaplan Gisela , Rogers Lesley J.
Published: October 2006

Head‐cocking of 15 infant marmosets (Callithrix jacchus) was scored from Day 1 to 60 of postnatal life, the growth period with overproduction of interneuronal synapses. Head‐cocking was scored during four 30 min intervals daily, including angle of head‐cocking and objects being fixated. Mean age of onset of head‐cocking was Day 13 (±1.3) and frequency increased to a fixed rate by Day 24–29, at the time of maturation of the foveal representation in layer 6 of the visual cortex, thus lending further support to the importance of head‐cocking to visual processing. The most common distance of objects fixated during head‐cocking was up to .5 m. Angle of head‐cocking increased with age, and some asymmetry of direction was noted. Fewer head‐cocking events occurred in the morning than in the afternoon. We also scored anogenital licking of offspring. Head‐cocking occurred at higher levels in marmosets receiving more anogenital licking. As this was associated positively with increased exploration, head‐cocking may be regarded as an exploratory behavior. © 2006 Wiley Periodicals, Inc. Dev Psychobiol 48: 551–560, 2006.
The international society for developmental psychobiology annual meeting symposium: Impact of early life experiences on brain and behavioral development
Authors: Sullivan Regina , Wilson Donald A. , Feldon Joram , Yee Benjamin K. , Meyer Urs , Richter‐Levin Gal , Avi Avital , Michael Tsoory , Gruss Michael , Bock Jörg , Helmeke Carina , Braun Katharina
Published: October 2006

Decades of research in the area of developmental psychobiology have shown that early life experience alters behavioral and brain development, which canalizes development to suit different environments. Recent methodological advances have begun to identify the mechanisms by which early life experiences cause these diverse adult outcomes. Here we present four different research programs that demonstrate the intricacies of early environmental influences on behavioral and brain development in both pathological and normal development. First, an animal model of schizophrenia is presented that suggests prenatal immune stimulation influences the postpubertal emergence of psychosis‐related behavior in mice. Second, we describe a research program on infant rats that demonstrates how early odor learning has unique characteristics due to the unique functioning of the infant limbic system. Third, we present work on the rodent Octodon degus, which shows that early paternal and/or maternal deprivation alters development of limbic system synaptic density that corresponds to heightened emotionality. Fourth, a juvenile model of stress is presented that suggests this developmental period is important in determining adulthood emotional well being. The approach of each research program is strikingly different, yet all succeed in delineating a specific aspect of early development and its effects on infant and adult outcome that expands our understanding of the developmental impact of infant experiences on emotional and limbic system development. Together, these research programs suggest that the developing organism's developmental trajectory is influenced by environmental factors beginning in the fetus and extending through adolescence, although the specific timing and nature of the environmental influence has unique impact on adult mental health. © 2006 Wiley Periodicals, Inc. Dev Psychobiol 48: 583–602, 2006.
Early handling reduces vulnerability of rats to activity‐based anorexia
Authors: Carrera O. , Gutiérrez E. , Boakes R.A.
Published: October 2006

Resistance to restricted feeding with and without wheel access was tested in rats handled (H) for 20 days since birth. Weight loss produced by 1.5‐hr restricted food access was less in H than in non‐handled (NH) males when tested aged 41 days. At this age combining food restriction with access to a running wheel (a procedure commonly known as activity‐based anorexia, ABA) produced very rapid weight loss and no effect of handling was detected. When 75‐day females were tested in the same way, under the ABA procedure H rats took longer than NH controls to reach the removal criterion. Simply restricting food access in these females produced variable weight loss, without detection of any handling effect. No differences in food intake or running were detected between H and NH rats in either males or females. In conclusion, handling seems to have a direct effect on rats' later response to either food deprivation alone or to an ABA procedure. © 2006 Wiley Periodicals, Inc. Dev Psychobiol 48: 520–527, 2006.
Long‐term impact of early olfactory experience on later olfactory conditioning
Authors: Blais Idit , Terkel Joseph , Goldblatt Allen
Published: October 2006

This study examined the duration of the effect of early olfactory experience in rats by determining the ease of conditioning and then reconditioning to an early‐experienced odor. Rat pups (experimental group) were exposed to aniseed odor sprayed on the mother's belly from day 1 to 20 after birth. A control group was exposed only to water. At the ages of 21 and 40 days all the rats (experimental and control) were tested for preference for the odor of aniseed. Starting from day 41 after birth they were conditioned in a Y‐maze to approach the odor of aniseed for a reward. We then divided both groups into five subgroups each. Each subgroup was retrained to approach aniseed after 5, 6, 7, 8 or 9 months, and their speeds of reconditioning to the odor were compared. The results showed that all rats in the early exposed group had remembered the odor and did not require reconditioning, unlike those in the group that had not had the early olfactory conditioning. The effect of the early experience was still detectable at least 5 months after last exposure to the odor. © 2006 Wiley Periodicals, Inc. Dev Psychobiol 48: 501–507, 2006.