bluuebunny/crossref_metadata_2025 huggingface dataset:
Positive Correlation Between Serum Interleukin‐1β and State Anger in Rugby Athletes
Authors: Pesce Mirko , Speranza Lorenza , Franceschelli Sara , Ialenti Valentina , Iezzi Irene , Patruno Antonia , Rizzuto Alessia , Robazza Claudio , De Lutiis Maria Anna , Felaco Mario , Grilli Alfredo
Published: December 2012

Recently, several studies reported a relationship between immune system activation and anger expression. Consequently, the aim of this study was to explore immunitary molecular mechanisms that potentially underlie anger expression. To this end, we applied the Frustration—Aggression Theory in a contact sport model, utilizing the nearing of sporting events to trigger anger feelings. In parallel, we evaluated the activation of immune system at mRNA levels. We enrolled 20 amateur rugby players (age ± SD, 27.2 ± 4.5) who underwent psychological assessment to evaluate anger, with the State‐Trait Anger Expression Inventory‐2 (STAXI‐2), before rugby matches; at the same time blood samples were taken to analyze the variations of gene expression by microarray. During the 2 hr before each game, a significant increase was verified in the Rage State (RS) score compared to the score ascertained 72 hr before. At the same time, we found modulation in expression profile, in particular increased expression of gene that encodes interleukin l‐β (IL‐1β). In a regression analysis, RS score was related to IL‐1β, and the potential risk factors age, body mass index, smoking, and drinking. The levels of cytokine were positively and independently related to RS score. Our results suggest that the nearing of sporting event can trigger anger state feelings and activate immune system in rugby players. We propose the IL‐1β as a potential biological marker of anger. However, further research is necessary to clarify the correlation between cytokine and anger. Aggr. Behav. 39 :141‐148, 2013. © 2012 Wiley Periodicals, Inc.
Spliceosome mutations involving SRSF2, SF3B1, and U2AF35 in chronic myelomonocytic leukemia: Prevalence, clinical correlates, and prognostic relevance
Authors: Patnaik Mrinal M. , Lasho Terra L. , Finke Christy M. , Hanson Curtis A. , Hodnefield Janice M. , Knudson Ryan A. , Ketterling Rhett P. , Pardanani Animesh , Tefferi Ayalew
Published: December 2012

SRSF2, SF3B1, and U2AF35 (U2AF1) are the three most frequent genes involved with spliceosome mutations in myeloid malignancies. SF3B1 mutations are most frequent (~80%) in myelodysplastic syndromes (MDS) with ring sideroblasts (RS) but lack prognostic relevance. SRSF2 mutations are associated with shortened overall (OS) and leukemia‐free survival (LFS) in both MDS and myelofibrosis. In this study of 226 patients with chronic myelomonocytic leukemia (CMML), mutational frequencies were 40% for SRSF2 (all affecting P95), 6% for SF3B1 (primarily K700E) and 9% for U2AF35 (mostly S34F and Q157P/R). These mutations were mutually exclusive and 54% of the patients displayed at least one mutation. The three mutation groups were phenotypically similar, with the exception of higher RS% (P < 0.0001) in patients with SF3B1 mutations. At a median follow‐up of 15 months, 176 (78%) deaths and 32 (14%) leukemic transformations were documented. OS (median survivals of 17, 16, 17, and 20 months; P = 0.48) and LFS (leukemic transformation rates of 17, 13, 15, and 5%; P = 0.63) were similar among patients with none of the three mutations, SRSF2, SF3B1, or U2AF35 mutations, respectively. We conclude that SRSF2 is the most frequently mutated spliceosome gene in CMML but neither it nor SF3B1 or U2AF35 mutations are prognostically relevant. Am. J. Hematol. 88:201–206, 2013. © 2012 Wiley Periodicals, Inc.
A sensitive and specific diagnostic test for hearing loss using a microdroplet PCR‐based approach and next generation sequencing
Authors: Schrauwen Isabelle , Sommen Manou , Corneveaux Jason J. , Reiman Rebecca A. , Hackett Nicole J. , Claes Charlotte , Claes Kathleen , Bitner‐Glindzicz Maria , Coucke Paul , Van Camp Guy , Huentelman Matthew J.
Published: December 2012

Implementing DNA diagnostics in clinical practice for extremely heterogeneous diseases such as hearing loss is challenging, especially when attempting to reach high sensitivity and specificity in a cost‐effective fashion. Next generation sequencing has enabled the development of such a test, but the most commonly used genomic target enrichment methods such as hybridization‐based capture suffer from restrictions. In this study, we have adopted a new flexible approach using microdroplet PCR‐based technology for target enrichment, in combination with massive parallel sequencing to develop a DNA diagnostic test for autosomal recessive hereditary hearing loss. This approach enabled us to identify the genetic basis of hearing loss in 9 of 24 patients, a success rate of 37.5%. Our method also proved to have high sensitivity and specificity. Currently, routine molecular genetic diagnostic testing for deafness is in most cases only performed for the GJB2 gene and a positive result is typically only obtained in 10–20% of deaf children. Individuals with mutations in GJB2 had already been excluded in our selected set of 24 patients. Therefore, we anticipate that our deafness test may lead to a genetic diagnosis in roughly 50% of unscreened autosomal recessive deafness cases. We propose that this diagnostic testing approach represents a significant improvement in clinical practice as a standard diagnostic tool for children with hearing loss. © 2012 Wiley Periodicals, Inc.
Fakten sind der Feind der Wahrheit – Betrachtungen über Zufallsentdeckungen und ungeahnte Entwicklungen der asymmetrischen Katalyse
Authors: Noyori Ryoji
Published: December 2012

“Der Zufall begünstigt nur den vorbereiteten Geist”, sagte Louis Pasteur. Zufallsereignisse, die dem Weg der Wissenschaft eine neue Richtung geben, geschehen oft infolge von Handlungen passionierter Individuen mit unverwechselbarem kulturellen und erzieherischen Hintergrund, einem ursprünglichen Wertempfinden und festen Prinzipien. Wissenschaft ist die Quelle menschlichen Wissens und besitzt einen unverzichtbaren kulturellen Wert. Wissenschaftsbasierte Technologien und die aus ihnen abgeleiteten Innovationen sind die Grundlage der zivilisierten Gesellschaft, in der wir heute leben. Alle wissenschaftlichen Bestrebungen beginnen mit Beobachtungen oder Fakten. Das eigentliche Ziel der Forschungsaktivität ist es aber, das gesammelte Wissen in etwas umzuwandeln, das neuen technologischen, ökonomischen oder sozialen Wert hat. Innovation ist ein entscheidender Aspekt, der den Fortbestand der Menschheit gewährleistet. Und wie die 50 Jahre meiner Forschung zeigen, wird das Umwandeln von Fakten in Werte durch den Dialog erleichtert. Wissenschaftler können die notwendige Gesamterfahrung nur erwerben, wenn sie in laufendem Gespräch mit den Gesellschaften, in deren Dienst sie stehen, sowie mit ihren Kollegen in anderen Nationen bleiben.
Wie Thiostrepton im Labor synthetisiert wurde
Authors: Nicolaou K. C.
Published: December 2012

Thiostrepton, ein zu der Klasse der Thiopeptide gehörendes potentes Antibiotikum, wurde zum ersten Mal im Jahre 2004 im Zuge einer anstrengenden Kampagne mit neuen Strategien und Taktiken, Umwegen und unerwarteten Hindernissen im Labor synthetisiert. In diesem Aufsatz schildert der Autor die lange Reise zum Erfolg, die Odysseus’ Rückkehr nach Ithaka nicht unähnlich war und voller Abenteuer, Wissen und Weisheit steckte.

Inspiriert vom Schreibstil Mahaffys1 hat sich der Autor einige Freiheiten mit dem Stil genommen, in dem dieser Aufsatz geschrieben ist.
“Wie ich zur Proteaseforschung kam oder, richtiger gesagt, wie die Proteaseforschung zu mir kam”
Authors: Huber Robert
Published: December 2012

Kristallklar: „Es war eine glückliche Fügung, dass ich die Proteinkristallographie bald nach ihrer Begründung durch Perutz und Kendrew als den Schwerpunkt meiner Forschungen wählte.“ Nobelpreisträger Robert Huber reflektiert über die Entwicklung der Proteinkristallographie und wie es dazu kam, dass sie heute eine fundamentale Rolle für die Erforschung biologischer Prozesse spielt.
Einhundert Jahre Vitamine – eine naturwissenschaftliche Erfolgsgeschichte
Authors: Eggersdorfer Manfred , Laudert Dietmar , Létinois Ulla , McClymont Tom , Medlock Jonathan , Netscher Thomas , Bonrath Werner
Published: December 2012

Die Entdeckung der Vitamine als lebenswichtige Verbindungen in der Nahrung vor 100 Jahren stellte einen wissenschaftlichen Durchbruch dar, der die Welt veränderte. Die Erkenntnis, dass sich früher weit verbreitete Krankheiten wie Skorbut, Pellagra, Rachitis und Beriberi durch eine ausgewogene Ernährung vermeiden oder heilen lassen, hatte einschneidende Auswirkungen auf Gesellschaft und wirtschaftliche Entwicklung. Dieser Aufsatz fasst Schlüsselerfolge in Entwicklung und industrieller Herstellung von acht der insgesamt dreizehn Vitamine zusammen.
Vom Aufkommen des Molekülkonzepts zur Kunst der Molekülsynthese
Authors: Nicolaou K. C.
Published: December 2012

Im Kern der chemischen Wissenschaft liegen die Struktur des Moleküls, die Kunst der Molekülsynthese und der Entwurf einer Funktion in ihr. Diese Eigenschaften machen die Chemie zu einer essentiellen, unentbehrlichen und mächtigen Disziplin, deren Einfluss auf die Bio‐ und Materialwissenschaften überragend und unbestreitbar ist und stetig zunimmt. In der Tat treibt die Kombination aus Struktur, Synthese und Funktion die Wissenschaft an vielen Fronten voran, einschließlich Wirkstoffdesign und Wirkstoffentwicklung, Biologie und Biotechnologie, Materialwissenschaften und Nanotechnologie. Was Struktur und Funktion verbindet, ist die Synthese, deren Vorzeigedisziplin die Totalsynthese ist – die Kunst, die Moleküle der Natur und deren Derivate aufzubauen. Die Leistungsfähigkeit der chemischen Synthese spiegelt sich zu jeder Zeit im Stand der Totalsynthese wider. In diesem Essay werden das Verständnis der Molekülstruktur, die Entdeckung der organischen Synthese und die Kunst der Totalsynthese vom 19. Jahrhundert bis zum heutigen Tage verfolgt.
Facts are the Enemy of Truth—Reflections on Serendipitous Discovery and Unforeseen Developments in Asymmetric Catalysis
Authors: Noyori Ryoji
Published: December 2012

As Louis Pasteur said, “Chance favors only a prepared mind.” Serendipitous events reorienting the pathway of science often occur through the actions of dedicated individuals with unique cultural and educational backgrounds, an original sense of values, and firm principles. Science is the fountainhead of human knowledge and possesses an indispensable cultural value. Science‐based technologies and the innovations derived from them are the foundation of the civilized society in which we live today. All scientific endeavors begin with observations, or facts. However, the real goal of research activity is to convert accumulated knowledge to something with new technological, economic, or social value. Innovation is an essential aspect to assure the continued survival of humanity. And often, as my half‐century of research reflects, the act of turning facts into values is facilitated by dialogue. Thus, to acquire the necessary combined wisdom, scientists must have ongoing conversations with the societies they serve, as well as with their counterparts in other nations.
“How I Chose Research on Proteases or, More Correctly, How it Chose Me”
Authors: Huber Robert
Published: December 2012

Crystal clear: “I was lucky to choose protein crystallography as the focus of my research activity at a time soon after its foundation by Perutz and Kendrew”. Nobel Laureate Robert Huber reflects on how protein crystallography has developed and now has a fundamental role in our understanding of biological processes.
Impact of the Synergistic Collaboration of Oligothiophene Bridges and Ruthenium Complexes on the Optical Properties of Dumbbell‐Shaped Compounds
Authors: Costa Rubén D. , Aragó Juan , Ortí Enrique , Pappenfus Ted M. , Mann Kent R. , Matczyszyn Katarzyna , Samoc Marek , Zafra José L. , López Navarrete Juan T. , Casado Juan
Published: December 2012

The linear and non‐linear optical properties of a family of dumbbell‐shaped dinuclear complexes, in which an oligothiophene chain with various numbers of rings (1, 3, and 6) acts as a bridge between two homoleptic tris(2,2′‐bipyridine)ruthenium(II) complexes, have been fully investigated by using a range of spectroscopic techniques (absorption and luminescence, transient absorption, Raman, and non‐linear absorption), together with density functional theory calculations. Our results shed light on the impact of the synergistic collaboration between the electronic structures of the two chemical moieties on the optical properties of these materials. Experiments on the linear optical properties of these compounds indicated that the length of the oligothiophene bridge was critical for luminescent behavior. Indeed, no emission was detected for compounds with long oligothiophene bridges (compounds 3 and 4, with 3 and 6 thiophene rings, respectively), owing to the presence of the 3ππ* state of the conjugated bridge below the 3MLCT‐emitting states of the end‐capping RuII complexes. In contrast, the compound with the shortest bridge (2, one thiophene ring) shows excellent photophysical features. Non‐linear optical experiments showed that the investigated compounds were strong non‐linear absorbers in wide energy ranges. Indeed, their non‐linear absorption was augmented upon increasing the length of the oligothiophene bridge. In particular, the compound with the longest oligothiophene bridge not only showed strong two‐photon absorption (TPA) but also noteworthy three‐photon‐absorption behavior, with a cross‐section value of 4×10−78 cm6 s2 at 1450 nm. This characteristic was complemented by the strong excited‐state absorption (ESA) that was observed for compounds 3 and 4. As a matter of fact, the overlap between the non‐linear absorption and ESA establishes compounds 3 and 4 as good candidates for optical‐power‐limiting applications.
Surface‐Mediated Synthesis of Dimeric Rhodium Catalysts on MgO: Tracking Changes in the Nuclearity and Ligand Environment of the Catalytically Active Sites by X‐ray Absorption and Infrared Spectroscopies
Authors: Yardimci Dicle , Serna Pedro , Gates Bruce C.
Published: December 2012

The preparation of dinuclear rhodium clusters and their use as catalysts is challenging because these clusters are unstable, evolving readily into species with higher nuclearities. We now present a novel synthetic route to generate rhodium dimers on the surface of MgO by a stoichiometrically simple surface‐mediated reaction involving [Rh(C2H4)2] species and H2. X‐ray absorption and IR spectra were used to characterize the changes in the nuclearity of the essentially molecular surface species as they formed, including the ligands on the rhodium and the metal‐support interactions. The support plays a key role in stabilizing the dinuclear rhodium species, allowing the incorporation of small ligands (ethyl, hydride, and/or CO) and enabling a characterization of the catalytic performance of the supported species for the hydrogenation of ethylene as a function of the metal nuclearity and ligand environment. A change in the nuclearity from one to two Rh atoms leads to a 58‐fold increase in the catalytic activity for ethylene hydrogenation, a reaction involving unsaturated, but stable, dimeric rhodium species.
Metformin intake is associated with better survival in ovarian cancer
Authors: Kumar Sanjeev , Meuter Alexandra , Thapa Prabin , Langstraat Carrie , Giri Shailendra , Chien Jeremy , Rattan Ramandeep , Cliby William , Shridhar Viji
Published: December 2012

BACKGROUND:

The objective of this case‐control study was to identify any association of metformin intake with the survival of patients with ovarian cancer.

METHODS:

In this retrospective case‐control study, women with ovarian cancer who received metformin (cases) were compared with women with ovarian cancer who did not receive metformin (controls). A 2‐layered analysis was conducted. In preliminary analysis, all cases (the OC cohort) were compared with controls at a 1:2 ratio. Subsequently, in definitive analysis, only patients who had epithelial ovarian cancer (the EOC cohort) were compared with controls at a 1:3 ratio. In the EOC cohort, cases were matched with controls for age (±5 years), International Federation of Gynecology and Obstetrics stage, and residual disease. Prognostic variables and disease specific survival were compared using chi‐square tests, the Kaplan‐Meier (log‐rank) method, and Cox proportional hazards analysis.

RESULTS:

In a preliminary analysis of the OC cohort (72 cases and 143 controls), cases had better survival (5‐year disease‐specific survival for cases vs controls, 73% vs 44%; P = .0002). In the definitive analysis of the EOC cohort (61 cases and 178 controls), the distribution of age, disease stage, optimal cytoreduction, serous histology, and platinum chemotherapy remained similar between cases and controls (P > .05). Despite these similarities, cases had significantly better survival (5‐year disease‐specific survival for cases vs controls, 67% vs 47%; P = .007). On multivariate analysis, metformin remained an independent predictor of survival (hazard ratio, 2.2; 95% confidence interval, 1.2‐3.8; P = .007) after controlling for disease stage, grade, histology, chemotherapy, body mass index, and surgical cytoreduction.

CONCLUSIONS:

The results of this study indicated an association of metformin intake with survival in patients with ovarian cancer. The receipt of metformin was associated with better survival, and the authors concluded that metformin is worthy of clinical trials in ovarian cancer. Cancer 2013. © 2012 American Cancer Society.
Microsolvation of the 4‐Aminobenzonitrile Cation (ABN+) in a Nonpolar Solvent: IR Spectra of ABN+Ln (L=Ar and N2, n≤4)
Authors: Schmies Matthias , Patzer Alexander , Kruppe Sarah , Miyazaki Mitsuhiko , Ishiuchi Shun‐ichi , Fujii Masaaki , Dopfer Otto
Published: December 2012

IR photodissociation (IRPD) spectra of mass‐selected cluster ions of 4‐aminobenzonitrile (ABN+) with up to four Ar and N2 ligands are recorded over the spectral range of the NH stretching vibrations (νs/a) of ABN+ in its 2B1 ground electronic state. ABN+Ln clusters are produced in an electron impact cluster ion source, which predominantly generates the most stable isomer of a given cluster ion. Vibrational frequency shifts of νs/a provide information about the sequential microsolvation process of ABN+ in a nonpolar solvent. In ABN+(N2)n, the first two ligands fill a first subshell by forming hydrogen bonds to the acidic protons of the amino group, whereas further ligands bind more weakly to the aromatic ring (π bonds). Although the preferred cluster growth sequence in ABN+Arn is similar, several isomers are observed because the hydrogen bonds are only slightly stronger than the π bonds. Quantum chemical calculations at the M06‐2X/aug‐cc‐pVTZ level confirm the cluster growth sequence derived from the IR spectra and provide further details of the intermolecular potential. The calculated binding energies of D0(H)=532 and 895 cm−1 for hydrogen‐bonded and D0(π)=512 and 530 cm−1 for π‐bonded Ar and N2 ligands are consistent with the observed photofragmentation branching ratios. Comparison between ABN+Ln and the corresponding clusters with the aniline cation demonstrates that the NH protons of the amino group become slightly more acidic upon H→CN substitution at the para position. Comparison between charged and neutral ABN(+)L dimers indicates that ionization switches the preferred ion–ligand binding motif from π to hydrogen bonding.
Capacity Decay and Remediation of Nafion‐based All‐Vanadium Redox Flow Batteries
Authors: Luo Qingtao , Li Liyu , Wang Wei , Nie Zimin , Wei Xiaoliang , Li Bin , Chen Baowei , Yang Zhenguo , Sprenkle Vincent
Published: December 2012

The relationship between electrochemical performance of vanadium redox flow batteries (VRBs) and electrolyte composition is investigated, and the reasons for capacity decay over charge–discharge cycling are analyzed and discussed herein. The results show that the reasons for capacity fading over real charge–discharge cycling include not only the imbalanced vanadium active species, but also the asymmetrical valence of vanadium ions in positive and negative electrolytes. The asymmetrical valence of vanadium ions leads to a state‐of‐charge (SOC)‐range decrease in positive electrolytes and a SOC‐range increase in negative electrolytes. As a result, the higher SOC range in negative half‐cells further aggravates capacity fading by creating a higher overpotential and possible hydrogen evolution. Based on this finding, we developed two methods for restoring lost capacity, thereby enabling long‐term operation of VRBs to be achieved without the substantial loss of energy resulting from periodic total remixing of electrolytes.
Use of Zebrafish Embryos for Small Molecule Screening Related to Cancer
Authors: Terriente Javier , Pujades Cristina
Published: December 2012

The introduction of mechanism‐based targeted therapies to treat human cancers is fruit of decades of research into the molecular basis of cancer pathogenesis. Despite the growing knowledge about the molecular mechanisms governing its causes and progression, there is a lack of effective treatments for many types of cancer. The expensive and time‐consuming preclinical pipeline for testing molecules slows the discovery of new therapies. Therefore, it is important to consider alternative methodologies both for accelerating therapeutic discovery and reducing costs. In that regard, zebrafish is becoming an attractive model for fast and efficient drug screening. Its use has expanded to many disease research areas, and the postgenomic era has led to the progression of functional studies and boosted the development of general databases, such as ZFIN, and the emergence of more specialized ones, including several catalogues of transgenic reporter screens. Taken together, they provide to the scientific community many tools that could be used for drug discovery. The use of zebrafish in cancer drug screenings could help to economize time and resources even more if we rationalize its use: we could use embryonic screens to identify drugs that address general hallmarks of cancer, and use adults for finding molecules that target specific cancer models. Developmental Dynamics 242:97–107, 2013. © 2012 Wiley Periodicals, Inc.
LINK BETWEEN PAY FOR PERFORMANCE INCENTIVES AND PHYSICIAN PAYMENT MECHANISMS: EVIDENCE FROM THE DIABETES MANAGEMENT INCENTIVE IN ONTARIO
Authors: Kantarevic Jasmin , Kralj Boris
Published: December 2012

Pay for performance (P4P) incentives for physicians are generally designed as additional payments that can be paired with any existing payment mechanism such as a salary, fee‐for‐services and capitation. However, the link between the physician response to performance incentives and the existing payment mechanisms is still not well understood. In this article, we study this link using the recent primary care physician payment reform in Ontario as a natural experiment and the Diabetes Management Incentive as a case study. Using a comprehensive administrative data strategy and a difference‐in‐differences matching strategy, we find that physicians in a blended capitation model are more responsive to the Diabetes Management Incentive than physicians in an enhanced fee‐for‐service model. We show that this result implies that the optimal size of P4P incentives vary negatively with the degree of supply‐side cost‐sharing. These results have important implications for the design of P4P programs and the cost of their implementation. Copyright © 2012 John Wiley & Sons, Ltd.
Lake/watershed sulfur budgets and their response to decreases in atmospheric sulfur deposition: watershed and climate controls
Authors: Mitchell Myron J. , Driscoll Charles T. , McHale Patrick J. , Roy Karen M. , Dong Zheng
Published: December 2012

Atmospheric sulfur (S) emissions peaked in North America in the early 1970s followed by declines in S deposition and sulfate (SO42−) concentrations in surface waters. Changes in S biogeochemistry affect the mobilization of toxic (Al+3, H+) and nutrient (Ca2+, Mg2+, K+) cations, and the acid–base status of ecosystems. We focused on lake/watersheds in the Adirondack Mountains of New York, USA, one of the most acid‐sensitive and acid‐impacted regions in North America. We used 16 of the 17 original Adirondack Long‐Term Monitoring Lakes from 1984 through 2010 and found significant declines (−2.14 µmolc l−1 year−1) in SO42− concentrations. There were significant declines (−0.28 kg S ha−1 year−1) in total S deposition for all lake/watersheds. We constructed S mass balances for 14 lakes/watersheds from wet and dry S deposition and SO42− loss from drainage and found a comparable decline (−0.26 kg S ha−1 year−1) in lake SO42− export. There was a discrepancy (mean 2.34 kg S ha−1 year−1) between atmospheric S deposition and watershed S loss due to internal S sources. Using major solute chemistry including dissolved silica and watershed characteristics, it was evident that the watershed S budget discrepancy increased with thickness of surficial deposits. The annual discrepancies in S mass balances were strongly linked with annual watershed discharge. These results suggest that internal S sources are becoming increasingly important as atmospheric S inputs have declined. The internal SO42− supply of watersheds decreased concomitantly with lake acid neutralizing capacity (ANC). These findings suggest that the limited contributions from internal sources of SO42− will facilitate the recovery of ANC from those lake/watersheds with the lowest ANC. With long‐term decreases in atmospheric S deposition, the effects of climate, especially increases in precipitation, will play an increasingly important role in regulating S budgets and the amount of SO42− mobilized from internal watershed sources. Copyright © 2012 John Wiley & Sons, Ltd.
Analgesia induced by localized injection of opiate peptides into the brain of infant rats
Authors: Barr G.A. , Wang S.
Published: December 2012

Background

Stimulation of a variety of brain sites electrically or by opiates activates descending inhibitory pathways to attenuate noxious input to the spinal cord dorsal horn and produce analgesia. Analgesia induced by electrical stimulation of the periaqueductal grey (PAG) of the midbrain or medial rostral ventral medulla (RVM) matures late, towards the end or past the pre‐weaning period. Descending facilitation takes precedence over inhibition. Yet opiates injected intracerebroventricularly or directly into the PAG induce analgesia relatively early in development. Our goal was to re‐examine the role of opiates specific to individual receptor types in analgesia at several supraspinal sites.

Methods

Antinociception was tested following microinjection of DAMGO (μ‐opiate agonist), DPDPE (∂‐opiate agonist) or U50,488 (κ‐opiate agonist) into the PAG, RVM or dorsal lateral pons (DLP) in 3‐, 10‐ and 14‐day‐old rats.

Results

DAMGO produced analgesia at 3 days of age at each brain area; the RVM was the most effective and the dorsal PAG was the least effective site. DPDPE produced modest analgesia at 10 and 14 days of age at the ventral PAG, RVM or DLP, but not the dorsal PAG. U50,488H was ineffective at all sites and all ages.

Conclusions

Antinociception could be elicited at all three sites by DAMGO as early as 3 days of age and DPDPE at 10 and 14 days of age. The degree of analgesia increased gradually during the first 2 weeks of life, and likely reflects the maturation of connections within the brain and of descending inhibitory paths from these sites.
A dual‐functionally modified chitosan derivative for efficient liver‐targeted gene delivery
Authors: Xiao Bo , Wang Xiaoyu , Qiu Zhiye , Ma Jun , Zhou Lei , Wan Ying , Zhang Shengmin
Published: December 2012

Galactosylated chitosan‐hydroxypropyltrimethylammonium (gal‐HTCC) was synthesized by galactosylating and quaternizing chitosan to endue chitosan with targeting specificity for potential applications as gene vectors. The composition and physicochemical properties of gal‐HTCC were characterized by FT‐IR, 1H NMR, elemental analysis, X‐ray diffraction, and turbidity measurement. It was found that water‐soluble gal‐HTCC showed a more amorphous structure than chitosan, and it also had a much better plasmid condensation capability than galactosylated chitosan. Cytotoxicity measurements revealed that gal‐HTCC showed significantly lower cytotoxicity in HepG2 and HeLa cell lines compared to branched polyethylenimine (bPEI, 25 kDa) which was used as a positive control. The nanoparticles (NPs) consisted of gal‐HTCC and plasmid DNA had desirable particle size (around 250 nm) with a narrow size distribution. Confocal laser scanning microscopy confirmed that NPs could be internalized and transported to the nucleus efficiently within 6 h. In vitro gene transfection results indicated that gal‐HTCC had significantly higher transfection efficiency (7‐ to 32‐fold) compared to chitosan and gal‐chitosan for targetable delivery of pGL3 luciferase plasmid to HepG2, and its transfection efficiency was highly inhibited in the presence of galactose (20 mM). All these results suggest that gal‐HTCC can function as a promising nonviral gene vector for efficient liver‐targeted gene delivery. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A, 2013.
Modulation of the African–Indian rainfall relationship by the thermal variability over the Mediterranean Sea in northern summer
Authors: Fontaine Bernard , Pham Xuan Thanh
Published: December 2012

This statistical study stresses the relationship between different types of thermal anomaly patterns observed in Mediterranean areas and rainfall amounts in the African and Indian monsoon regions at the inter‐decadal (>10 years), inter‐annual (<10 years), intra‐seasonal (>10 d) and synoptic (3–9 d) scales through composite and correlation analyses performed on different atmospheric reanalyses and outgoing longwave radiation OLR data. The results show that the warmest situations registered over the whole Mediterranean Sea are concomitant of higher amounts in the African and Indian monsoon regions, contributing therefore to a positive African/Indian correlation. By contrast this correlation reverses when thermal variations between the eastern and western Mediterranean basins are considered: One observes higher African (lower Indian) rainfall with southwesterly (northeasterly) wind anomalies and an enhancement of the 3–9 d wave activity over the African continent associated with a northeastward extension of the main African Easterly Jet axis that favours wind shear and African easterly wave activity in the mid troposphere. More generally, eastern Mediterranean warming is synchronous of multiple atmospheric signals consistent with an intensification of moist convection, mid‐level ascents and integrated moisture content in the atmospheric column over Africa. The reverse is observed in Indian regions and appears compatible with the Rodwell–Hoskins mechanism.
A methodology for statistically downscaling seasonal snow cover characteristics over the Northeastern United States
Authors: Tryhorn Lee , DeGaetano Art
Published: December 2012

Snow cover amount and duration have a large role in both the natural and anthropogenic systems of the Northeast United States. Any changes in the climatology of the amount, duration, and timing of the snowpack may have long‐lasting environmental and economic consequences. At present, the principal tools used to examine future climatic changes are general circulation models; however, they do not provide information at the scales required for investigating many of the impacts in which snow plays a major role. In order to address this gap, a statistical downscaling methodology for simulating climatological snow cover parameters was developed. The methodology utilizes the Statistical DownScaling Model to construct climate change scenarios at daily time scales that are subsequently evaluated based on their ability to reproduce seasonal snow cover statistics. Two different observational datasets (station and gridded) were used as predictands and empirical relationships were created between the predictands and regional scale predictors. The methodology was tested at 20 locations across the Northeast and was then applied to output from HadCM3 under the A2 and B2 emissions scenarios. The methodology performed well at capturing key properties of station‐based snow cover over a range of climates and was found to perform better than the technique used in previous work in the Northeast. By the end of the century, the projections revealed characteristics that are consistent with declining snow cover, yet there are likely to be regional variations in the next several decades, especially when elevation is considered.
Residue depletion of nifuroxazide in broiler chicken
Authors: Gao Feng , Zhang Qi Di , Zhang Zhen Hong , Yan Xiao Dong , Zhang Hui Cai , Wang Jian Ping
Published: December 2012

Background

Several nitrofuran drugs have been prohibited for use in food producing animals due to their carcinogenic and mutagenic effects. However, one of the nitrofurans, nifuroxazide, is still used as a veterinary drug in some countries. This study was conducted to investigate the residue depletion of nifuroxazide in broiler chicken. Chickens were fed with dietary feeds containing 50 mg kg−1 of nifuroxazide for seven consecutive days. Liver, kidney, muscle and plasma samples were collected at different withdrawal periods, and the residues of parent nifuroxazide and its acid‐hydrolysable side chain, 4‐hydroxybenzhydrazide (HBH), in these samples were determined.

Results

Nifuroxazide was metabolised in vivo and its metabolite HBH was formed. Parent nifuroxazide was not detectable in these samples after 14 days of cessation. HBH was detectable in these samples even after 28 days of cessation and the total HBH residues were higher than 1.0 ng g−1. Furthermore, the residue level of tissue bound HBH was much higher than that of free HBH.

Conclusion

The tissue‐bound HBH could be used as a marker to monitor the residue of nifuroxazide in chicken and the best target tissue should be liver. This is the first paper reporting the residue depletion of nifuroxazide in chicken.© 2012 Society of Chemical Industry
Poly(2‐oxazoline)‐derived Contact Biocides: Contributions to the Understanding of Antimicrobial Activity
Authors: Kelly Andrew M. , Kaltenhauser Verena , Mühlbacher Inge , Rametsteiner Karl , Kren Harald , Slugovc Christian , Stelzer Franz , Wiesbrock Frank
Published: December 2012

A set of poly(2‐oxazoline)‐derived (co‐)polymers was prepared by microwave‐assisted polymerizations and acid‐mediated hydrolysis and tested for antimicrobial activity in 50 × 50 × 2 mm PP compound plates containing 5 wt% of the polymers. Antimicrobial activity against gram‐negative E. coli and P. aeruginosa as well as C. albicans depended only on the degree of hydrolysis, while antimicrobial activity against gram‐positive S. aureus was only observed for hydrolyzed poly(2‐nonyl‐2‐oxazoline)s. The surface energies of the compound plates compared to pure PP were hardly altered, and the compounds can be considered as alternatives for PP. The presence of the biocide additives at the surface of the PP compound plates could be shown by combined ATR‐IR, zeta potential, and SEM‐EDX measurements. Antimicrobial activity was maintained during double incubation as well as for lowered amounts of the biocide additive of 1% in PP compound plates.

magnified image
Core–Shell Capsules Based on Supramolecular Hydrogels Show Shell‐Related Erosion and Release Due to Confinement
Authors: Guo Mingyu , Cao Xiaoyu , Meijer E. W. , Dankers Patricia Y. W.
Published: December 2012

Hydrogel‐containing core–shell capsules are useful as drug delivery vehicles for many biomedical applications, especially when release of incorporated guests can be controlled. Here, we developed a one‐step organic solvent‐free method to prepare such core–shell capsules using a synthetic and a natural supramolecular hydrogel, for the core and shell, respectively. A solution containing ureido‐pyrimidinone modified poly(ethylene glycol) hydrogelators and calcium chloride was drop‐wise added to an alginate solution, yielding core–shell structures. It was found that the outer shell provides a confined space for the inner supramolecular hydrogel and therefore prevents swelling of the core. This consequently slows down both erosion of the less stable core, and release of dextran guests.

magnified image
Robust Iterative Solution of a Class of Time‐Dependent Optimal Control Problems
Authors: Pearson John W. , Stoll Martin , Wathen Andrew J.
Published: December 2012

The fast iterative solution of optimal control problems, and in particular PDE‐constrained optimization problems, has become an active area of research in applied mathematics and numerical analysis. In this paper, we consider the solution of a class of time‐dependent PDE‐constrained optimization problems, specifically the distributed control of the heat equation. We develop a strategy to approximate the (1, 1)‐block and Schur complement of the saddle point system that results from solving this problem, and therefore derive a block diagonal preconditioner to be used within the MINRES algorithm. We present numerical results to demonstrate that this approach yields a robust solver with respect to step‐size and regularization parameter. (© 2012 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The nonequispaced FFT on graphics processing units
Authors: Kunis Susanne , Kunis Stefan
Published: December 2012

Without doubt, the fast Fourier transform (FFT) belongs to the algorithms with large impact on science and engineering. By appropriate approximations, this scheme has been generalized for arbitrary spatial sampling points. This so called nonequispaced FFT is the core of the sequential NFFT3 library and we discuss its computational costs in detail. On the other hand, programmable graphics processing units have evolved into highly parallel, multithreaded, manycore processors with enormous computational capacity and very high memory bandwidth. By means of the so called Compute Unified Device Architecture (CUDA), we parallelized the nonequispaced FFT using the CUDA FFT library and a dedicated parallelization of the approximation scheme. (© 2012 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Preconditioned Block‐Iterative Methods on GPUs
Authors: Naumov Maxim
Published: December 2012

An implementation of the incomplete‐LU/Cholesky preconditioned block‐iterative methods on the Graphics Processing Units (GPUs) using the CUDA parallel programming model is presented. In particular, we focus on the tradeoffs associated with the sparse matrix‐vector multiplication with multiple vectors, sparse triangular solve with multiple right‐hand‐sides (rhs) as well as incomplete factorization with 0 fill‐in. We use these building blocks to implement the block‐CG and BiCGStab iterative methods for the symmetric positive definite (s.p.d.) and nonsymmetric linear systems, respectively. Also, in our numerical experiments we show that the implementation of the preconditioned block‐iterative methods using the CUSPARSE library on the GPU achieves an average of 3× speedup over their MKL implementation on the CPU. (© 2012 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Twinned martensite configurations arising as ground states of a two‐well discrete Hamiltonian
Authors: Kitavtsev G. , Luckhaus S.
Published: December 2012

In this paper we construct and analyze a two‐well Hamiltonian on 2D atomic lattice considered with nonconvex interactions. Two wells of the Hamiltonian are given by two rank‐one connected martensitic twins, respectively. Our combined analytical and numerical results show that the structure of ground states under appropriate boundary conditions is close to the macroscopically expected twinned configuration plus additional exponential boundary layers localized near the twinning interface. Besides, we proceed to continuum limit, show asymptotic piece‐wise rigidity of minimizing sequences and derive the limiting form of their surface energy. (© 2012 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Nano to Micro – Perspectives for Homogenization in Crystalline Solids
Authors: Schröder Jörg , Eidel Bernhard , Brands Dominik , Balzani Daniel
Published: December 2012

This paper communicates perspectives and ideas for lengthscale‐transitions for metallic materials from nano over micro to macro. For micro‐macro transitions, the FE2‐method is described, where a top‐down perspective manifests the need to introduce even finer‐scaled information than typically considered on the microscale, such as e.g. atomistic details. In contrast, the description of the Quasi‐Continuum method as an atomistic‐continuum transition method naturally takes the perspective of a bottom‐up approach, that starts at the nanoscale and aims at larger length scales by finite element techniques. We describe the main differences between the two multiscale frameworks referring to atomistics and those which pertain to continuum mechanics. Perspectives are proposed for combining and coupling the different frameworks in a consistent way. Finally we identify fields of applications, where nanoscale information is introduced to micro‐models, either via sequential/hierarchical coupling or in concurrent frameworks. (© 2012 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Micro‐to‐macro transitions for continua with surface structure at the microscale
Authors: Javili Ali , McBride Andrew , Mergheim Julia , Steinmann Paul , Schmidt Ulrike
Published: December 2012

A framework for micro‐to‐macro transitions is developed that accounts for the effect of size at the microscopic scale. This is done by endowing the surfaces of the microscopic features with their own (energetic) structure using the theory of surface elasticity. Following a standard first‐order ansatz on the microscopic motion in terms of the macroscopic deformation gradient, a Hill‐type averaging condition is used to link the two scales. The surface elasticity theory introduces two additional microscopic length scales: the ratio of the bulk volume to the energetic surface area, and the ratio of the surface and bulk Helmholtz energies. The influence of these microscopic length scales is elucidated via a series of numerical examples performed using the finite element method. (© 2012 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Variational Homogenization of Micro‐Electro‐Elasticity
Authors: Zäh Dominic , Miehe Christian
Published: December 2012

Understanding of micromechanical mechanisms in functional materials with electro‐mechanical coupling is a highly demanding area of simulation technology and increasing interest has been shown in the last decades. Smart materials are characterized by microstructural properties, which can be changed by external stress and electric field stimuli, and hence find use as the active components in sensors and actuators. In this context, a key challenge is to combine models for microscopic electric domain evolution with variational principles of homogenization. We outline a variational‐based micro‐electro‐elastic model for the micro‐structural evolution of electric domains in ferroelectric ceramics. The micro‐to‐macro transition is performed on the basis of variational principles, extending purely mechanical formulations to coupled electro‐mechanics. We focus on an electro‐mechanical Boltzmann continuum on the macro‐scale with mechanical displacement and electric potential as primary variables. The material model on the micro‐scale is described by a gradient‐extended continuum formulation taking into account the polarization vector field and its gradient, see Landis [1] and Schrade et al. [2] for conceptually similar approaches. A crucial aspect of the proposed homogenization analysis is the derivation of appropriate boundary conditions on the surface of the representative volume element. In this work we derive stiff Dirichlet‐type, soft Neumann‐type, and periodic boundary constraints starting from a generalized Hill‐Mandel macrohomogeneity condition. Furthermore, we propose techniques to incorporate these boundary conditions in the variational principles of homogenization by means of Lagrange multiplier methods. (© 2012 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Second order asymptotics for the propagation speed of interfaces in the Allen‐Cahn phase field model for elastic solids
Authors: Alber Hans‐Dieter , Markert Bernd
Published: December 2012

For a phase field model, which consists of the elasticity equations coupled to the Allen‐Cahn equation, we state an asymptotic expansion for the propagation speed of the diffusive interface. The error of the expansion is of order η2, where η is the width of the interface. (© 2012 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)
An approach for decomposition of finite rotations
Authors: Mladenova Clementina D. , Mladenov Ivaïlo M.
Published: December 2012

Based on Lie groups theory, this work considers the problem of decomposition of a given rotation into three successive finite rotations with prescribed in advance axes. (© 2012 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Alternative approaches to the incorporation of control constraints in multibody dynamics
Authors: Yang Yinping , Betsch Peter
Published: December 2012

Control constraints can be used to prescribe the motion in the inverse dynamics of multibody systems. If the number of control inputs is lower than the degrees of freedom, this kind of mechanical system is called underactuated system. The solution of such partly specified system is a challenging task due to the underactuation property. The description of underactuated systems can be based on either minimal coordinates or redundant coordinates. The resulting governing equations show the form of differential‐algebraic equations (DAEs) with a mixed set of holonomic and control constraints. The index of the DAEs may exceed three and alternative projection methods will be applied to reduce the index to three. Numerical examples are used to compare the alternative projection methods. (© 2012 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Zur Wechselwirkung in Elastomeren und deren Auswirkung auf das Fahrverhalten von PKW
Authors: Lohse Christian , Kröger Matthias
Published: December 2012

Elastomerbauteile in Fahrwerken dienen der gezielten Beeinflussung der Gesamtelastokinematik. Im Entwicklungsprozess versucht der Konstrukteur die optimale Lösung für den jeweiligen Anwendungsfall zwischen Fahrdynamik inbesondere bei Kurvenfahrt und Fahrkomfort zu finden. Zusätzlich wird in diversen Achskonstruktionen diesen Bauteilen eine die Fahrzeugsicherheit beeinflussende Funktion überlassen. Die Kenntnis des komplexen Bauteilverhaltens, inbesondere der mechanischen Wechselwirkungen, ist daher wünschenswert. Mit einer Kombination aus Finite‐Elemente‐Analysen und der Mehrkörpersimulation können diese Effekte untersucht werden. An einem Beispiel aus der Fahrzeugdynmaik wird gezeigt, in welcher Größenordnung sich der Einfluss der Wechselwirkungen auf das Fahrverhalten bewegen kann. (© 2012 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Influence of Internal Actuator Properties of Active Anti‐Roll Systems on the Vehicle Driving Behaviour
Authors: Mirwaldt Thomas , Harrer Manfred , Eberhard Peter
Published: December 2012

The application process of active anti‐roll systems can be supported by the implementation of numerical optimization routines. The optimization objectives evaluate the handling and comfort vehicle behaviour and are calculated online from vehicle measurement variables. A model‐based analysis illustrates the influence of the actuator properties on these optimization objectives. (© 2012 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)