bluuebunny/crossref_metadata_2025 huggingface dataset:
Oxidative Cleavage of Epoxides with Ammonium Molybdate–H2O2 System: An Efficient Route to α-Hydroxy Ketones
Authors: Ismail Nusrat , Rao R Nageswara
Published: November 2004

Epoxides are efficiently converted into α-hydroxy ketones by employing ammonium molybdate–H2O2 system. The α-hydroxy ketones are prepared without the formation of α-hydroxy aldehydes, via 1,2-diols as intermediates. The products are formed with excellent yields under very mild conditions.
Strategies for the Development of Visible-light-driven Photocatalysts for Water Splitting
Authors: Kudo Akihiko , Kato Hideki , Tsuji Issei
Published: November 2004

Photocatalysts for water splitting developed by the present authors are reviewed. A NiO (0.2 wt %)/NaTaO3:La (2%) photocatalyst with a 4.1-eV band gap showed high activity for water splitting into H2 and O2 with an apparent quantum yield of 56% at 270 nm. Many visible-light-driven photocatalysts have also been developed through band engineering by doping of metal cations, forming new valence bands with Bi6s, Sn5s, and Ag4d orbitals, and by making solid solutions between ZnS with wide band gap and narrow band gap semiconductors. Overall water splitting under visible light irradiation has been achieved by construction of a Z-scheme photocatalysis system employing the visible-light-driven photocatalysts for H2 and O2 evolution, and the Fe3+/Fe2+ redox couple as an electron relay.
Effects of Pressure on the Thermal Back Electron Transfer in a Dibenzylbipyridinium Salt. Solvent Reorganizations and Dynamic Solvent Effects
Authors: Shihab Mehdi S , Kubota Koji , Takahashi Toru , Ohga Yasushi , Asano Tsutomu
Published: November 2004

Kinetic effects of pressure on a decay of a radical pair produced by UV irradiation of N,N′-dibenzyl-4,4′-bypyridinium dichloride were studied in acetonitrile (AN) and propylene carbonate (PC). Both in AN and PC, the process was accelerated by an increase in pressure indicating a considerable contraction of the solvation sphere during the activation. Furthermore, in PC, pressure-induced retardation was observed at P > 200 MPa and it was attributed to slow solvent thermal fluctuations at high pressures.
Formation of TaC Nanorods with a Low-Temperature Chemical Route
Authors: Shi Liang , Gu Yunle , Chen Luyang , Yang Zeheng , Ma Jianhua , Qian Yitai
Published: November 2004

Tantalum carbide (TaC) nanocrystals have been successfully synthesized at 650 °C through a solid-state reaction in an autoclave. Transmission electron microscopy images show that the TaC crystallites consist of nanorods with a typical size of about 40 × 800 nm. Some uniform particles with an average size of about 40 nm also exist in the sample.
Porous TiO2 (anatase) Electrodes for High-Power Batteries
Authors: Yamada Hirotoshi , Yamato Takanori , Moriguchi Isamu , Kudo Tetsuichi
Published: November 2004

Porous TiO2 (anatase) with bimodal pores (50 and 430 nm) and monomodal pores (50 nm) was synthesized by using colloidal crystals as templates. Electrochemical capacity of lithium insertion/extraction to the bimodal porous TiO2 was as large as 66.1 mAh·g−1 at the current density of 3.7 A·g−1, which was higher than those of nanoparticulate TiO2 and porous TiO2 prepared by using 50 nm PS colloid.
Preparation of Biodegradable Hollow Nanocapsules by Silica Template Method
Authors: Itoh Yuki , Matsusaki Michiya , Kida Toshiyuki , Akashi Mitsuru
Published: November 2004

Biodegradable hollow nanocapsules were successfully prepared by a combination of layer-by-layer assembly and the silica template method. Ultrathin polymer films were constructed on the surface of the silica nanoparticles by layer-by-layer assembly of oppositely charged biodegradable polyelectrolytes, chitosan and dextran sulfate. The silica templates were easily removed from the ultrathin polymer film-coated nanoparticles by treatment with hydrofluoric acid solution to create hollow nanocapsules. The hollow shape of these biodegradable nanocapsules was confirmed by SEM observation.
Human microRNAs are processed from capped, polyadenylated transcripts that can also function as mRNAs
Authors: CAI XUEZHONG , HAGEDORN CURT H. , CULLEN BRYAN R.
Published: November 2004

The factors regulating the expression of microRNAs (miRNAs), a ubiquitous family of ~22-nt noncoding regulatory RNAs, remain undefined. However, it is known that miRNAs are first transcribed as a largely unstructured precursor, termed a primary miRNA (pri-miRNA), which is sequentially processed in the nucleus, to give the ~65-nt pre-miRNA hairpin intermediate, and then in the cytoplasm, to give the mature miRNA. Here we have sought to identify the RNA polymerase responsible for miRNA transcription and to define the structure of a full-length human miRNA. We show that the pri-miRNA precursors for nine human miRNAs are both capped and polyadenylated and report the sequence of the full-length, ~3433-nt pri-miR-21 RNA. This pri-miR-21 gene sequence is flanked 5′ by a promoter element able to transcribe heterologous mRNAs and 3′ by a consensus polyadenylation sequence. Nuclear processing of pri-miRNAs was found to be efficient, thus largely preventing the nuclear export of full-length pri-miRNAs. Nevertheless, an intact miRNA stem–loop precursor located in the 3′ UTR of a protein coding gene only moderately inhibited expression of the linked open reading frame, probably because the 3′ truncated mRNA could still be exported and expressed. Together, these data show that human pri-miRNAs are not only structurally similar to mRNAs but can, in fact, function both as pri-miRNAs and mRNAs.
Effects of Direct-to-Consumer Advertising on Medication Choice: The Case of Antidepressants
Authors: Donohue Julie M. , Berndt Ernst R.
Published: November 2004

Although direct-to-consumer advertising (DTCA) has generated substantial controversy, little is known about its effects on consumer and physician behavior. In this article, the authors examine the impact of DTCA and physician detailing on the choice of antidepressant medication. The authors find that detailing has a much greater effect on medication choice in the antidepressant market than does DTCA.
Advertising Disclosures: Clear and Conspicuous or Understood and Used?
Authors: Stewart David W. , Martin Ingrid M.
Published: November 2004

Although the frequency of disclosure usage has increased in recent years, adherence to individual disclosure regulations, such as those mandated under the “clear and conspicuous” standard guidelines, has declined or remained unchanged in the context of television advertising. Investigation of the cause of declining or static adherence levels would be useful to regulators and industry professionals to consider for advertising disclosures when designing and evaluating guidelines. This article offers a discussion of issues related to implementation of information disclosures on products and in marketing communications. The authors suggest that there are circumstances in which there is a need for alternatives to natural market mechanisms and message-focused regulation to ensure that consumers are well-informed. They also recommend that guidelines for disclosure focus on critical responses of consumers and media and message characteristics.
A picture is worth a thousand words: Art indexing in electronic databases
Authors: Roberts Helene E.
Published: November 2004

The enormous number of images of works of art available on the Internet promises great potential for research in art history and related image‐using disciplines. Yet without adequate indexing, this resource is very difficult to explore. It is certainly necessary to identify each image with the basic unique information relating to it, but more is needed. Since it is largely the concepts related to works of art that interest art historians, it is these concepts that need to be reflected in indexing terminology. As these concepts have changed over time, a sizeable verbal infrastructure is needed to support the indexing of large image databases to achieve maximum use by art historians.
Erratum: Jasmin L, Granato A, Ohara PT. 2004. Rostral agranular insular cortex and pain areas of the central nervous system: A tract‐tracing study in the rat. J Comp Neurol 468:311–465.
Authors: Jasmin Luc , Burkey Adam R. , Granato Alberto , Ohara Peter T.
Published: November 2004

The original article to which this Erratum refers was published in The Journal of Comparative Neurology (2004) 468: 311–465.
Hydrophobic Chemistry in Aqueous Solution: Stabilization and Stereoselective Encapsulation of Phosphonium Guests in a Supramolecular Host
Authors: Brumaghim Julia L. , Michels Martin , Raymond Kenneth N.
Published: November 2004

Encapsulation of guest molecules inside supramolecular host assemblies provides a way to stabilize reactive species in aqueous solution. The stabilization of reactive phosphonium/ketone adducts of the general formula [R1MeC(OH)PR3]+ by encapsulation as guest molecules within a [Ga4L6]12− tetrahedral metal−ligand assembly is reported; although these cations decompose in aqueous solution, encapsulation inside the hydrophobic cavity of the assembly lengthens their lifetimes considerably, in some cases up to weeks. By varying the phosphane (PMe3, PEt3, PPhMe2, and PPh2Me) and ketone (acetone, methyl ethyl ketone, 1,1,1‐trifluoroacetone, and fluoroacetone) which form these adducts, as well as the pD of the solutions, it was determined that the pH of the solution as well as the size and shape of the guest cations play an important role in the stability of these host−guest complexes. Encapsulation of chiral guests in the chiral [Ga4L6]12− assembly results in the formation of diastereomers, as characterized by 1H, 19F, and 31P NMR spectroscopy. Although the [Ga4L6]12− assembly is formed from non‐chiral ligands, the assembly itself has ΔΔΔΔ or ΛΛΛΛ chirality around the metal centers. Due to the chirality of this assembly, diastereomeric selectivity is observed upon initial guest encapsulation (typical diastereomeric excesses are 30−50%). This initial diastereomeric selectivity decreases over time to reach an equilibrium but does not become 1:1, indicating both kinetic and thermodynamic processes promote selective guest encapsulation. These experiments demonstrate further the applications of nanoscale reaction vessels, self‐assembled by design from non‐chiral ligands, in providing a chiral and hydrophobic environment for guest molecules in aqueous solution. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)
Nucleophile‐Selective Selenocyclizations
Authors: Khokhar Shaista S. , Wirth Thomas
Published: November 2004

Electrophilic cyclizations are one of the major strategies for cyclofunctionalizations of alkenes. Selective selenocyclizations can be performed by adjusting various factors in such reactions. The nature of the electrophile, the counterion, solvents, and external additives coordinating to the electrophilic species are used to control the course of such cyclizations with high degrees of efficiency. Our investigations have been extended towards stereoselective reactions using chiral selenium electrophiles. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)
Cover Picture: C2‐Symmetric Fluorous Diamines and Diimines as Ligands for Metal‐Catalysed Asymmetric Cyclopropanation of Styrene (Eur. J. Org. Chem. 22/2004)
Authors: Shepperson Ian , Quici Silvio , Pozzi Gianluca , Nicoletti Marcello , O’Hagan David
Published: November 2004

The cover picture shows a biphasic reaction catalysed by a metal complex of an enantiopure fluorous 1,2‐diamine ligand (L*). C2‐symmetric diamines and diimines bearing perfluoroalkyl ponytails have attracted considerable attention as recoverable chiral ligands in transition‐metal‐catalyzed asymmetric processes. In this case, preformed cobalt(II) and in situ generated copper(I) complexes of such ligands have been tested as catalysts for the cyclopropanation of styrene with diazoacetates. Under optimised reaction conditions, which include the use of a fluorous biphasic system and short reaction times, the copper complex of L* afforded promising results and could be easily separated from the products by simple decantation of the fluorous phase. Details are discussed in the article by G. Pozzi, D. O′Hagan et al. on p. 4545 ff. Cover art by Marco Cavazzini.
CO2 laser surgery: A larynx preservation alternative for selected hypopharyngeal carcinomas
Authors: Vilaseca Isabel , Blanch José Luis , Bernal‐Sprekelsen Manuel , Moragas Miguel
Published: November 2004

Background.

Transoral CO2 laser surgery (TLS) has demonstrated good oncologic results and low morbidity in the treatment of selected laryngeal carcinomas, but experience in hypopharyngeal carcinomas (HC) is limited. The aim of this study was to evaluate the usefulness of TLS in the treatment of selected HC.

Methods.

Twenty‐eight patients with HC were treated with TLS and neck dissection. Tumors with preoperative invasion of thyroid cartilage at CT, deep growth into the cervical space or tongue base, and tumors crossing the posterior midline or involving the cervical esophagus were excluded. Postoperative radiation to the neck was administered when more than one lymph node was involved, when the metastasis diameter was greater than 2 cm, or when extranodal spread was found at the pathologic study.

Results.

The sample included two T1, 16 T2, nine T3, and one T4 tumors. Stage classification was: II, 21.4%; III, 28.6%; and IV, 50%. Four‐year overall and disease‐specific survival rates were 43.4% and 59.4%, respectively, with 78.5% function preservation. Nine patients (32.1%) did not need a nasogastric feeding tube. The mean duration of the feeding tube in the remaining patients was 15.27 ± 27.3 days. We had two postoperative bleeding episodes that required endoscopic coagulation and three postoperative pneumonias caused by aspiration.

Conclusions.

TLS is an alternative for the treatment of selected HC associated with a high larynx preservation rate. © 2004 Wiley Periodicals, Inc. Head Neck 26: 953–959, 2004
Hypothyroidism caused by a nonvisible lingual thyroid
Authors: Grossman Alon , Olonovski David , Barenboim Erez
Published: November 2004

Background.

Lingual thyroid is a developmental anomaly caused by failure of migration of the thyroid gland to its normal position in the neck. This anomaly is usually manifested in childhood as hypothyroidism or local symptoms.

Methods.

We present a case of a 32‐year‐old patient in whom lingual thyroid was diagnosed after complaints of a chronic cough. Thyroid‐stimulating hormone levels were significantly elevated. Sonograms of the neck revealed atrophy of both thyroid lobes, with nonhomogeneous consistency and no lymphadenopathy. Technetium‐99m scan revealed uptake at the tongue base, with no uptake at the neck or other locations.

Results.

L‐thyroxine treatment was begun, with progressive decrement in thyroid‐stimulating hormone levels and cessation of the cough.

Conclusion.

This case is unique in both the advanced age of the patient and the unusual clinical presentation. © 2004 Wiley Periodicals, Inc. Head Neck 26: 995–998, 2004
Synthesis of High Solid‐Content Latex using Alkali‐Soluble Resin as Sole Surfactant
Authors: do Amaral Marcelo , Asua José M.
Published: November 2004

Summary: A novel polymerization procedure to synthesize latex stabilized by alkali‐soluble resin (ASR) is detailed. According to this process, latexes with a high solid content and low viscosity are obtained using a substantially lower amount of ASR when compared with existing techniques. Similar rewet properties were found for the latexes obtained by a standard process and for the one obtained by the process described in this work.

Comparison of the particle size distributions obtained by conventional emulsion polymerization (○) and by miniemulsion polymerization (□).

magnified image

Comparison of the particle size distributions obtained by conventional emulsion polymerization (○) and by miniemulsion polymerization (□).
Social interaction interventions for youth with severe disabilities should emphasize interdependence
Authors: Kennedy Craig H.
Published: November 2004

An emphasis on independence may be limiting the outcomes achieved by social interaction research. Given the lack of correlation between intellectual or adaptive functioning level and meaningful social outcomes for people with severe disabilities, a focus on increasing skills as a mechanism for increasing social outcomes seems misplaced (or, at least, inefficient). It is argued here that a more productive route for researchers to follow will be to emphasize interdependence. Implications of such a focus will change where interventions are implemented, curricular foci, and the types of instructional strategies used to improve the social life of youth with severe disabilities. MRDD Research Reviews 7:122–127, 2001. © 2001 Wiley‐Liss, Inc.
Noonan syndrome type I with PTPN11 3 bp deletion: Structure–function implications
Authors: Lee Wen Hwa , Raas‐Rotschild Annick , Miteva Maria A. , Bolasco Giulia , Rein Azaria , Gillis David , Vidaud Dominique , Vidaud Michel , Villoutreix Bruno O. , Parfait Beatrice
Published: November 2004

Noonan syndrome was recently reported to be caused by mutations in the PTPN11 gene in 40% of the cases. This gene encodes the nonreceptor‐type protein tyrosine phosphatase SHP‐2 and has been shown to be self down‐regulated with the concurrency of two SH2 domains. Insertion of a specific loop (D′EF) from N‐terminal SH2 domain into the SHP‐2 active‐site is responsible for the reversible inhibition of the phosphatase activity. Here we report the first in frame trinucleotide deletion resulting in the removal of Aspartate 61 (D61del), a key residue of the N‐terminal SH2 D′EF loop. Energetic‐based structural analysis and electrostatic calculations carried out on the wild‐type and mutant proteins predict lower stability of the D′EF loop for the D61del variant as compared to the wild type indicating better access to the active site and most likely an enzyme activated for longer extent. Similar computations were performed on the previously functionally characterized gain‐of‐function D61Y mutant and similar behaviors were observed. The simulation data for the D61del and D61Y mutants suggest that both variants could yield more catalytic cycles than the wild‐type molecule in the same timespan because of the opening of the active site. It also supports the notion that D61 plays a major role for proper down‐regulation of the protein tyrosine phosphatase activity of SHP‐2. Proteins 2005. © 2004 Wiley‐Liss, Inc.
Energy landscape of a small peptide revealed by dihedral angle principal component analysis
Authors: Mu Yuguang , Nguyen Phuong H. , Stock Gerhard
Published: November 2004

A 100 ns molecular dynamics simulation of penta‐alanine in explicit water is performed to study the reversible folding and unfolding of the peptide. Employing a standard principal component analysis (PCA) using Cartesian coordinates, the resulting free‐energy landscape is found to have a single minimum, thus suggesting a simple, relatively smooth free‐energy landscape. Introducing a novel PCA based on a transformation of the peptide dihedral angles, it is found, however, that there are numerous free energy minima of comparable energy (≲ 1 kcal/mol), which correspond to well‐defined structures with characteristic hydrogen‐bonding patterns. That is, the true free‐energy landscape is actually quite rugged and its smooth appearance in the Cartesian PCA represents an artifact of the mixing of internal and overall motion. Well‐separated minima corresponding to specific conformational structures are also found in the unfolded part of the free energy landscape, revealing that the unfolded state of penta‐alanine is structured rather than random. Performing a connectivity analysis, it is shown that neighboring states are connected by low barriers of similar height and that each state typically makes transitions to three or four neighbor states. Several principal pathways for helix nucleation are identified and discussed in some detail. Proteins 2005. © 2004 Wiley‐Liss, Inc.
Study of the Villin headpiece folding dynamics by combining coarse‐grained Monte Carlo evolution and all‐atom molecular dynamics
Authors: De Mori Giacomo M.S. , Colombo Giorgio , Micheletti Cristian
Published: November 2004

The folding mechanism of the Villin headpiece (HP36) is studied by means of a novel approach which entails an initial coarse‐grained Monte Carlo (MC) scheme followed by all‐atom molecular dynamics (MD) simulations in explicit solvent. The MC evolution occurs in a simplified free‐energy landscape and allows an efficient selection of marginally‐compact structures which are taken as viable initial conformations for the MD. The coarse‐grained MC structural representation is connected to the one with atomic resolution through a “fine‐graining” reconstruction algorithm. This two‐stage strategy is used to select and follow the dynamics of seven different unrelated conformations of HP36. In a notable case the MD trajectory rapidly evolves towards the folded state, yielding a typical root‐mean‐square deviation (RMSD) of the core region of only 2.4 Å from the closest NMR model (the typical RMSD over the whole structure being 4.0 Å). The analysis of the various MC‐MD trajectories provides valuable insight into the details of the folding and mis‐folding mechanisms and particularly about the delicate influence of local and nonlocal interactions in steering the folding process. Proteins 2005. © 2004 Wiley‐Liss, Inc.
DFT study of mixed‐valent Mn(II/III) hexacyanide clusters
Authors: Daul Claude , Rauzy Cédrick , Decurtins Silvio , Franz Patrick , Hauser Andreas
Published: November 2004

The cubic Prussian blue analogue Mn3[Mn(CN)6]2 · 15 H2O, which has the advantage of being transparent and magnetic (TN = 35 K) at the same time, has been investigated by density functional theory (DFT) calculations. The three‐dimensional structure is built of MnII ions linked to MnIII ions by μ‐bridging cyanides, to form a crystal structure, which is related to the NaCl type. In a first step, the relative stabilities of the mononuclear complexes [Mn(CN)6]z− (z = 2 to 4) have been studied as a function of the oxidation state, spin configuration, and the linkage isomerism of the cyanide ligand. The results we have obtained by this investigation are in good agreement with our chemical expertise. In addition, the calculations have been extended to the dinuclear [Mn2(CN)11]z− (z = 5 and 6) clusters. Furthermore, we used DFT to model the magnetic properties as well as the 3T1 → 1T2 transition, which has been observed by single‐crystal near‐IR spectra of Mn3[Mn(CN)6]2 · 15 H2O. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Using informal knowledge to infer human‐induced rarity of a conspicuous reef fish
Authors: Dulvy Nicholas K. , Polunin Nicholas V. C.
Published: November 2004

There have been few contemporary extinctions in the sea, which suggests marine species are either less vulnerable to extinction than terrestrial species, or marine extinctions may have gone unnoticed. We consider whether a large conspicuous reef fish, the giant humphead parrotfish (Bolbometopon muricatum), is likely to have declined across much of its geographical range. Informal knowledge was used to determine the status of the giant humphead parrotfish. We first surveyed fishers' knowledge of this parrotfish at 12 lightly exploited islands in the Lau group, Fiji and then compiled a global inventory of available information. In the Lau islands, Fiji, fishers reported this parrotfish as previously abundant, but it had not been caught at six islands since at least 1990 and was considered rare at another four islands. The parrotfish had been captured recently (since the 1990s) at three islands where fishers did not target parrotfishes regularly. A compilation of giant humphead parrotfish records provided by local scientists at 39 locations in 31 Indo‐Pacific nations suggested this fish is locally common only inside areas where fishing is prohibited and that it is currently globally rare. Local densities of the giant humphead parrotfish were negatively correlated to a categorical scale of fishing pressure across six Indo‐Pacific locations. The retrospective discovery of local disappearances and global rarity of a distinctive and formerly prominent reef fish is consistent with the hypothesis that the capacity to detect disappearances of exploitation‐vulnerable species in the sea is lower than expected.
Considering the temporal when managing the spatial: a population range expansion impacts protected areas‐based management for bottlenose dolphins
Authors: Wilson Ben , Reid Robert J. , Grellier Kate , Thompson Paul M. , Hammond Philip S.
Published: November 2004

Management of marine species has increasingly focused on key site protection. Initiatives to protect bottlenose dolphins, Tursiops truncatus, under the EU Habitats Directive reflect this trend. The boundaries of the Moray Firth candidate Special Area of Conservation (cSAC) were intended to include the main Scottish population's core range, following research conducted in the 1980s and early 1990s. However, during implementation, anecdotal sightings increased outside the cSAC. Here, the authors examine existing datasets to identify whether these reports reflect simply elevated awareness among public observers or real changes in distribution. Dolphins photo‐identified in areas originally considered to be outside the population's range confirmed they originated from the protected population. These individuals became rarer within the cSAC during the 1990s. Scottish bottlenose dolphins kill harbour porpoises, Phocoena phocoena, and carcasses from these interactions also became more frequent outside the cSAC during the 1990s. These results indicate mobility of this ‘resident’ dolphin population on a timescale similar to that of the implementation of the European Directive designed to protect it. Consequently, this and other similar designations, may afford less protection than originally envisioned and the authors recommend, therefore, that the potential for long‐term mobility should be actively incorporated into such management structures from the outset.
Sampling effort and dynamics of bushmeat markets
Authors: Fa John E. , Johnson Paul J. , Dupain Jef , Lapuente Juan , Köster Pamela , Macdonald David W.
Published: November 2004

Bushmeat markets can reflect the impact of hunting in large geographical areas, but efficient and adequate sampling strategies are needed. Five bushmeat markets in West and Central Africa were used to simulate the performance of different sampling regimes. The studied markets (n= 863 days) varied in animal carcasses and number of species recorded. In our simulations, we varied number of days sampled and their temporal distribution using a variant of the Monte Carlo methodology. Three sample strategies were considered: (1) unconstrained random sampling; (2) random sampling of start‐points, where the n days sampled are a sequential block following the randomly selected start‐point and (3) sampling blocked by season. No substantial differences between standard sampling theory and our simulations were present. However, only a large sample of markets will allow useful inferences on a regional scale and timing and coordination of sampling may be highly influential. Sampling in blocks of days was as efficient as simple random sampling in estimating species richness, but not carcass volume. This may indicate that, even with seasonality in market compositions, or irregular influences, the temporal pattern as described by presence/absence varies much less than does the volume of carcasses. Shorter sampling periods perform poorly in estimating species richness. The relationship between % species richness and overall carcass volume may predict the sampling effort required to estimate market species richness based on volume, when a large enough sample of markets becomes available. Similarly, a larger sample of markets would reveal how far the species composition in markets reflects the general organising principles of community structure in terms of frequency and abundance relationships.
Frühe Förderung von Resilienz bei jungen Müttern und ihren Säuglingen
Authors: Ziegenhain Ute , Derksen Bärbel , Dreisörner Ruth
Published: November 2004

Zusammenfassung. Jugendliche und allein erziehende Mütter und ihre Säuglinge sind eine Hochrisikogruppe. Sie sind psychosozial erheblichen Belastungen ausgesetzt und haben wenig oder keine soziale Unterstützung. Die Kumulation vielfältiger Risiken und ihre Wechselwirkung wirken sich nachteilig auf die Qualität der Interaktion der Mutter mit dem Säugling aus und gefährden die sozial-emotionale Entwicklung des Kindes. In Rahmen einer sekundär-präventiven Interventionsstudie wurde eine Gruppe jugendlicher und allein erziehender Mütter im Verlauf der ersten drei Lebensmonate des Säuglings entwicklungspsychologisch und videogestützt beraten und mit einer Gruppe von Müttern mit Gesprächsangebot verglichen. Die Ergebnisse zeigen, dass die Mütter mit Beratung zunehmend feinfühliger mit dem Säugling umgingen, und sich von den Müttern mit Gesprächsangebot unterschieden, ebenso wie von einer Gruppe von Müttern ohne Intervention. Es zeigte sich außerdem, dass die Qualität der Mentalisierungsfähigkeit wie sie mit dem Erwachsenenbindungsinterview erfasst wurde, das feinfühlige Verhalten der Mütter im Umgang mit dem Säugling in den Interventionsgruppen beeinflusste.
Intentional and Unintentional Injuries Across Health Regions in Alberta, Canada
Authors: Thompson Angus H. , Borden Kim , Belton Kathy L.
Published: November 2004

The growing practice of including intentional injuries (suicide and interpersonal violence) under the injury control umbrella has produced some controversy. The present study was designed to determine whether or not there might be an empirical basis for this initiative from an ecological point of view by examining the associations among unintentional and intentional injuries across 17 geographically defined health regions. The study was set in the Province of Alberta, Canada, where health services were delivered to a population of 2.96 million persons in 1999 through 17 regional health authorities. The results of a principal components analysis showed that nearly all causes of injury-hospitalization loaded on a single factor. It was not possible to produce separate factors for intentional and unintentional injuries. The strong intercorrelation among all measures suggests that there is an empirical basis for the view that intentional and unintentional injuries belong under the same conceptual umbrella, at least at the ecological level.
On Raising the International Dissemination of German Research
Authors: Dinkel Andreas , Berth Hendrik , Borkenhagen Ada , Brähler Elmar
Published: November 2004

Abstract. It has been proposed that German basic psychology journals should change publication language to English in order to facilitate access to research from German-speaking countries. However, to truly increase the dissemination of German research, it seems crucial to progress towards an internationalization of authors and readers. We applied bibliometric analysis to investigate the impact of the transition to English on the rate of foreign authors publishing in Zeitschrift für Experimentelle Psychologie/Experimental Psychology, as well as possible associated changes in citation patterns. There was an increase in the rate of articles published by foreign authors from 14.6 and 8.7 per cent, respectively, for the last biannual periods as German-language journal, to 52.7 per cent in the first biannual period as English-language journal. Regarding citations patterns, the clearest changes emerged for domestic authors. The results illustrate possible consequences of a transition to English as publication language, and reveal that Experimental Psychology has successfully established certain prerequisites for an increase of the international dissemination of German psychology research.
Magnetic storm ring current injection modeled with the Rice Convection Model and a self‐consistent magnetic field
Authors: Lemon C. , Wolf R. A. , Hill T. W. , Sazykin S. , Spiro R. W. , Toffoletto F. R. , Birn J. , Hesse M.
Published: November 2004

We simulate plasma transport from the plasma sheet to the ring current, for the first time including the feedback effect of the drifting particles on both the electric and magnetic fields. Results suggest that strong, steady adiabatic convection throughout the middle plasma sheet leads to a highly stretched inner plasma sheet, but no ring current particle flux increases. We subsequently impose a substantial reduction of the specific entropy PV5/3 near midnight outside 10 RE, where P is particle pressure and V = ∫ds/B is flux tube volume. This produces a strong enhancement of the asymmetric ring current, which becomes symmetric when the pressure depletion and strong convection are quelled. We suggest that a reduction of the specific entropy in a region of the inner plasma sheet, apparently by some process that violates the assumption of adiabatic drift, plays a major role in the injection of a storm‐time ring current.
Differences in ground‐observed chorus in geomagnetic storms with and without enhanced relativistic electron fluxes
Authors: Smith A. J. , Meredith N. P. , O'Brien T. P.
Published: November 2004

It has been suggested that whistler mode chorus waves play a role in the acceleration and loss of radiation belt electrons during geomagnetic storms. In a previous statistical study of chorus received at Halley station, Antarctica (76°S 27°W, L = 4.3), during storms of the solar cycle 1992–2002, we found that on average, chorus intensities were significantly enhanced in the storm recovery phase. In this paper we extend that study to provide stronger evidence of the link between chorus and electron acceleration. We selected a set of 244 storms in 1992–2002 having a minimum Dst less than −50 nT, for which average 1.8–3.5 MeV electron fluxes 2–3 days after the storm were available from the LANL satellites. This set was classified into two subsets according to whether the flux was less than or greater than an arbitrary threshold of 0.5 electrons cm−2 s−1 sr−1 keV−1, near to the median value. A superposed epoch analysis of the whole set, using the times of minimum Dst as the set of epochs, reproduced the results of the earlier study, but when the two subsets were analyzed separately, it was found that for the lower‐frequency channels, 0.5–1.0 kHz, characteristic of the main chorus band, the average intensities of chorus observed were larger for storms when the poststorm flux was high. The long‐enduring (several days) poststorm depression of wave power at frequencies above the chorus band, found in the previous study and attributed to increased precipitation from the radiation belts, was again noted. The depression was greater for the set of storms characterized by high poststorm fluxes, which strengthens this interpretation. It was accompanied by longer‐lasting geomagnetic and substorm activity after the storm, as indicated by the Kp and AE indices, consistent with recent suggestions that relativistic electron acceleration is more likely to occur in storms with substantial substorm activity in the recovery phase.
Modeling of Earth's bow shock: Applications
Authors: Chapman J. F. , Cairns Iver H.
Published: November 2004

Shock‐crossing data obtained from spacecraft are used to test the shock location models derived by Chapman and Cairns [2003]. Three sets of data are considered: (1) ISEE 1 for 24–25 September 1987, (2) Wind, Geotail, IMP 8, and Interball for the intervals 26–27 April and 10–13 May 1999, and (3) IMP 8, Geotail, Magion‐4, and Cluster during the period 1973–2003 from the bow shock database (available at http://nssdc.gsfc.nasa.gov/ftphelper/bowshock.html). Derived from MHD simulations, the two shock models are for angles θIMF = 45° and 90° between the upstream magnetic field BIMF and solar wind velocity vsw. These models have azimuthal asymmetries, and they depend explicitly on the upstream Mach number MA and ram pressure Pram. We also test Cairns et al.'s [1995] rotationally symmetric shock model. The new models perform better on average than the rotationally symmetric model, providing some evidence and support for the shock's shape being strongly dependent upon MA and θIMF. We also compare our analyses here with model/spacecraft comparisons performed by Merka et al. [2003a] and discuss the importance of filtering on the model predictions.
Difference in magnetotail variations between intense and weak substorms
Authors: Miyashita Y. , Kamide Y. , Machida S. , Liou K. , Mukai T. , Saito Y. , Ieda A. , Meng C.‐I. , Parks G. K.
Published: November 2004

Using Geotail plasma and magnetic field data, we have statistically studied the difference in substorm‐associated magnetotail variations between intense and weak substorms. It was found that for intense substorms the plasmoid‐related southward magnetic field and the first decrease in the total pressure occur closer to the Earth. This finding indicates that the magnetic reconnection site at expansion onset is located closer to the Earth in intense substorms, which is consistent with the dependence of the onset latitude in the ionosphere on the substorm intensity. Also, magnetic field lines during the growth phase especially earthward of the magnetic reconnection site are more stretched in intense substorms than in weak substorms. The dipolarization at X ∼ −10 RE is more significant in intense substorms. Furthermore, the Poynting flux in the lobe toward the plasma sheet and the total pressure during the growth and expansion phases are larger at X ∼ −10 RE than at larger distances, and they are larger in intense substorms than in weak substorms. The enhancement of the Poynting flux and the decrease in the total pressure associated with expansion onset are also more pronounced at X ∼ −10 RE in intense substorms. These results suggest that more energy is accumulated and subsequently dissipated in the near‐Earth magnetotail at X ∼ −10 RE during intense substorms.
Environmental change in the Sea of Okhotsk during the last 1.1 million years
Authors: Nürnberg Dirk , Tiedemann Ralf
Published: November 2004

On the basis of two sedimentary records from the central Sea of Okhotsk, we reconstruct the closely coupled glacial/interglacial changes in terrigenous flux, marine productivity, and sea ice coverage over the past 1.1 Myr. The correspondance of our sedimentary records to the China loess grain size record (China loess particle timescale, CHILOPARTS) suggests that environmental changes in both the Sea of Okhotsk area and in SE Asia were closely related via the Siberian atmospheric high‐pressure cell. During full glacial times our records point to a strong Siberian High causing northerly wind directions, the extension of the sea ice cover, and a reduced Amur River discharge. Deglacial maxima of terrigenous flux were succeeded by or synchronous to high‐productivity events. Marine productivity was strengthened during glacial terminations because of an effective nutrient utilization at times of enhanced water column stratification and high nutrient supply from fluvial runoff and sea ice thawing. During interglacials, SE monsoonal winds prevailed, analogous to today's summer situation of a pronounced Mongolian Heat Low and a strong Hawaiian High. Strong freshwater discharge induced by high precipitation rates in the Amur drainage area and a seasonally reduced and mobile sea ice cover favored marine productivity (although being considerably lower than during the terminations) and a lowered flux of ice‐rafted detritus.
On the electron tunneling in molecules: A generalized orthogonalization procedure for finding tunneling orbitals
Authors: Zheng Xuehe , Georgievskii Yuri , Stuchebrukhov Alexei A.
Published: November 2004

A simple method for finding tunneling orbitals of a long-distance electron transfer system is described. The procedure is an approximate biorthogonalization of many-electron donor and acceptor states in which the corresponding orbitals of the system are obtained; one pair of such corresponding orbitals describes the tunneling electron. Usually, the biorthogonalization is performed on the states that describe simultaneously both donor and acceptor complexes and the bridge connecting them, which make the procedure computationally demanding. In this paper a significant simplification of the procedure is proposed. In the procedure, to identify the tunneling orbitals roughly one half of the system is needed—only donor complex, or acceptor complex, plus part of the bridge. The procedure is practically equivalent to biorthogonalization, but computationally much simpler. Applications are illustrated with the results for a model of biological long-distance electron transfer in Ru-modified azurin, and electron transfer involving heme a of cytochrome c oxidase.
Internal pressure and surface tension of bare and hydrogen coated silicon nanoparticles
Authors: Hawa T. , Zachariah M. R.
Published: November 2004

We present a study of internal pressure and surface tension of bare and hydrogen coated silicon nanoparticles of 2–10 nm diameter as a function of temperature, using molecular dynamics simulations employing a reparametrized Kohen–Tully–Stillinger interatomic potential. The internal pressure was found to increase with decreasing particle size but the density was found to be independent of the particle size. We showed that for covalent bond structures, changes in surface curvature and the associated surface forces were not sufficient to significantly change bond lengths and angles. Thus, the surface tension was also found to be independent of the particle size. Surface tension was found to decrease with increasing particle temperature while the internal pressure did not vary with temperature. The presence of hydrogen on the surface of a particle significantly reduces surface tension (e.g., drops from 0.83 J/m2 to 0.42 J/m2 at 1500 K). The computed pressure of bare and coated particles was found to follow the classical Laplace–Young equation.
Subnanometric measurements of evanescent wave penetration depth using total internal reflection microscopy combined with fluorescent correlation spectroscopy
Authors: Harlepp S. , Robert J. , Darnton N. C. , Chatenay D.
Published: November 2004

In total internal reflection microscopy (TIRM), quantitative interpretation of results often requires a precise knowledge of the penetration depth of the evanescent wave. Standard TIRM practice is to calculate this depth from the microscope’s geometry, but this can introduce significant errors. We show how to calibrate the penetration depth of an evanescent wave in TIRM. An evanescent wave is obtained by illuminating a surface at an incident angle greater than the critical angle. Its penetration depth generally depends on the wavelength and the incident angle of the illumination, and on the indices of refraction on either side of the reflecting suface, but cannot be larger than the field of view. By introducing a fluorescent species (such as fluorescein) and measuring its diffusion time, it is possible to measure very precisely the penetration depth of the evanescent wave.
Adsorption of acetic and trifluoroacetic acid on the TiO2(110) surface
Authors: Foster A. S. , Nieminen R. M.
Published: November 2004

We use the first-principles static and dynamic simulations to study the adsorption of acetic (CH3COOH) and trifluoroacetic (CF3COOH) acid on the TiO2(110) surface. The most favorable adsorption for both molecules is a dissociative process, which results in the two oxygens of the carboxylate ion bonding to in-plane titanium atoms in the surface. The remaining proton then bonds to a bridging oxygen site, forming a hydroxyl group. We further show that, by comparing the calculated dipoles of the molecules on the surface, it is possible to understand the difference in contrast over the acetate and trifluoroacetate molecules in the atomically resolved noncontact atomic force microscopy images.
The one-particle Green’s function method in the Dirac–Hartree–Fock framework. II. Third-order valence ionization energies of the noble gases, CO and ICN
Authors: Pernpointner M.
Published: November 2004

In this paper we present the third-order extension of the four-component one-particle propagator method in the non-Dyson version of the algebraic diagrammatic construction (ADC) for the calculation of valence ionization energies. Relativistic and electron correlation effects are incorporated consistently by starting from the Dirac–Hamiltonian. The ADC equations derived from the Feynman diagrams can hereby be used in their spin-orbital form and need not be transformed to the spin-free version as required for a nonrelativistic treatment. For the calculation of the constant self-energy contribution the Dyson expansion method was implemented being superior to a perturbational treatment of Σ(∞). The Dirac–Hartree–Fock- (DHF-) ADC(3) was applied to the calculation of valence photoionization spectra of the noble gas atoms, carbon monoxide and ICN now also reproducing spin–orbit features in the spectrum. Comparison with DHF-ADC(2), nonrelativistic ADC(3), and experimental data was made in order to demonstrate the characteristics and performance of the method.
Physics of single molecule fluctuations in surface enhanced Raman spectroscopy active liquids
Authors: Maher R. C. , Dalley M. , Le Ru E. C. , Cohen L. F. , Etchegoin P. G. , Hartigan H. , Brown R. J. C. , Milton M. J. T.
Published: November 2004

Surface enhanced Raman spectroscopy (SERS) of dyes in solution allows the study of the differences between ensemble averaged spectroscopic signals and single molecular events. We address several outstanding issues in single molecule detection via SERS; in particular, evidence for single molecule vibrational pumping and/or single molecule laser heating, the statistics of hotspots in the liquid, and anti-Stokes/Stokes anomalies. We demonstrate that anti-Stokes/Stokes ratios are a very unreliable measure of temperature, because the two processes are affected differently by the underlying frequency-dependent plasmon resonances. Subtle hints of vibrational pumping and/or heating in single molecules can only obtained via careful cross correlations between the parameters (frequency position, width, and intensity) of the Stokes signals for different excitation lasers. We introduce the use of single-peak parameter cross correlations for the study of these phenomena.
Fragility by elastic incoherent neutron scattering
Authors: Magazù S. , Maisano G. , Migliardo F.
Published: November 2004

The present work furnishes an operative definition for the fragility degree by using elastic incoherent neutron scattering (EINS). Such a definition is based on the relation between viscosity, a macroscopic quantity, and the atomic mean-square displacement, which refers to a nanoscopic property. This procedure has been used to analyze a set of glass-forming systems and it allows to obtain a linear dependence of the fragility parameter M, obtained by EINS, on the fragility parameter m, obtained by viscosity measurements.
Dynamics of glass-forming liquids. VIII. Dielectric signature of probe rotation and bulk dynamics in branched alkanes
Authors: Shahriari Shervin , Mandanici Andrea , Wang Li-Min , Richert Ranko
Published: November 2004

We have measured the dielectric relaxation of several glass forming branched alkanes with very low dielectric loss in the frequency range 50 Hz–20 kHz. The molecular liquids of this study are 3-methylpentane, 3-methylheptane, 4-methylheptane, 2,3-dimethylpentane, and 2,4,6-trimethylheptane. All liquids display asymmetric loss peaks typical of supercooled liquids and slow β relaxations of similar amplitudes. As an unusual feature, deliberate doping with 2-ethyl-1-hexanol, 5-methyl-2-hexanol, 2-methyl-1-butanol, 1-propanol, or 2-methyltetrahydrofuran at the 1 wt % level generates additional relaxation peaks at frequencies below those of the α relaxation. The relaxation times of these sub-α-peaks increase systematically with the size of the dopant molecules. Because these features are spectrally separate from the bulk dynamics, the rotational behavior and effective dipole moments of the probes can be studied in detail. For the alcohol guest molecules, the large relative rotational time scales and small effective dipole moments are indicative of hydrogen bonded clusters instead of individual molecules.