bluuebunny/crossref_metadata_2025 huggingface dataset:
Magnetic flux transport by dipolarizing flux bundles
Authors: Liu Jiang , Angelopoulos V. , Zhou Xu‐Zhi , Runov A.
Published: January 2014

A dipolarizing flux bundle (DFB) is a small magnetotail flux tube (typically < ~3 RE in XGSM and YGSM) with a significantly more dipolar magnetic field than its background. Dipolarizing flux bundles typically propagate earthward at a high speed from the near‐Earth reconnection region. Knowledge of a DFB's flux transport properties leads to better understanding of near‐Earth (X = −6 to −30 RE) magnetotail flux transport and thus conversion of magnetic energy to kinetic and thermal plasma energy following magnetic reconnection. We explore DFB properties with a statistical study using data from the Time History of Events and Macroscale Interactions during Substorms mission. To establish the importance of DFB flux transport, we compare it with transport by bursty bulk flows (BBFs) that typically envelop DFBs. Because DFBs coexist with flow bursts inside BBFs, they contribute >65% of BBF flux transport, even though they last only ~30% as long as BBFs. The rate of DFB flux transport increases with proximity to Earth and to the premidnight sector, as well as with geomagnetic activity and distance from the neutral sheet. Under the latter two conditions, the total flux transport by a typical DFB also increases. Dipolarizing flux bundles appear more often during increased geomagnetic activity. Since BBFs have been previously shown to be the major flux transporters in the tail, we conclude that DFBs are the dominant drivers of this transport. The occurrence rate of DFBs as a function of location and geomagnetic activity informs us about processes that shape global convection and energy conversion.
Regularized principal covariates regression and its application to finding coupled patterns in climate fields
Authors: Fischer M. J.
Published: January 2014

There are many different methods for investigating the coupling between two climate fields, which are all based on the multivariate regression model. Each different method of solving the multivariate model has its own attractive characteristics, but often the suitability of a particular method for a particular problem is not clear. Continuum regression methods search the solution space between the conventional methods and thus can find regression model subspaces that mix the attractive characteristics of the end‐member subspaces. Principal covariates regression is a continuum regression method that is easily applied to climate fields and makes use of two end‐members: principal components regression and redundancy analysis. In this study, principal covariates regression is extended to additionally span a third end‐member (partial least squares or maximum covariance analysis). The new method, regularized principal covariates regression, has several attractive features including the following: it easily applies to problems in which the response field has missing values or is temporally sparse, it explores a wide range of model spaces, and it seeks a model subspace that will, for a set number of components, have a predictive skill that is the same or better than conventional regression methods. The new method is illustrated by applying it to the problem of predicting the southern Australian winter rainfall anomaly field using the regional atmospheric pressure anomaly field. Regularized principal covariates regression identifies four major coupled patterns in these two fields. The two leading patterns, which explain over half the variance in the rainfall field, are related to the subtropical ridge and features of the zonally asymmetric circulation.
Quality Management
Authors: Mitra Amitava
Published: January 2014

Manufacturing and service organizations have a fundamental objective of meeting or exceeding the needs of the customer. A means to accomplish this objective is through the adoption of a culture of quality management that is pervasive at all levels of the organization.

Starting with senior management in charge of strategic planning, progressing to middle management, dealing with tactical issues, and continuing to line management, addressing operational issues, adoption of a system that promotes continuous quality improvement will ensure competitiveness and growth of the organization. As customer needs are usually prioritized, by focusing on the critical needs of the customer, the organization is able to address customer satisfaction, which in turn influences profitability. Further, as the level of quality increases, a reduction in total costs is achieved. The purpose of the article is to provide an overview of the domain of quality management with a strategic focus. As details on operational methods for the achievement of quality are not within the scope of this article, a brief discussion can be found in the conclusions section. The reader may refer to the cited references and other appropriate sections of the Encyclopedia for further details.
Absence of skeletal anomalies in siblings with a maternally inherited 12q13.13‐q13.2 microdeletion partially involving the HOXC gene cluster
Authors: Peterson Jess F. , Hartman Jessica , Ghaloul‐Gonzalez Lina , Surti Urvashi , Hu Jie
Published: January 2014

Microdeletions (12q13.13‐q13.2) involving the HOXC gene cluster are rare. Only three patients with this contiguous deletion have been reported, all resulting in phenotypic features that include skeletal anomalies, facial dysmorphism, and intellectual disability. The deletion of the HOXC gene cluster is thought to result in skeletal anomalies in these patients. We report on siblings with a 969 kb deletion in the 12q13.13‐q13.2 region detected by array comparative genomic hybridization (aCGH). This deletion spans seven of nine HOXC cluster genes. FISH analysis confirmed the siblings and mother were carriers of the 12q13.13‐q13.2 deletion. Although minor facial dysmorphic features were present in both siblings, no skeletal anomalies were present in the siblings or the mother. The proband had autistic‐like features and mild developmental delay, while the sibling and mother are of normal intelligence. The absence of skeletal anomalies in our family suggests that deletion of the entire HOXC gene cluster may be required to result in an abnormal skeletal phenotype, or those skeletal anomalies in previously reported patients may be attributed to other genes within the deletion interval. © 2014 Wiley Periodicals, Inc.
New density estimates of a threatened sifaka species (Propithecus coquereli) in Ankarafantsika National Park
Authors: Kun‐Rodrigues Célia , Salmona Jordi , Besolo Aubin , Rasolondraibe Emmanuel , Rabarivola Clément , Marques Tiago A. , Chikhi Lounès
Published: January 2014

Propithecus coquereliis one of the last sifaka species for which no reliable and extensive density estimates are yet available. Despite its endangered conservation status [IUCN, 2012] and recognition as a flagship species of the northwestern dry forests of Madagascar, its population in its last mainrefugium, the Ankarafantsika National Park (ANP), is still poorly known. Using line transect distance sampling surveys we estimated population density and abundance in the ANP. Furthermore, we investigated the effects of road, forest edge, river proximity and group size on sighting frequencies, and density estimates. We provide here the first population density estimates throughout the ANP. We found that density varied greatly among surveyed sites (from 5 to ∼100 ind/km2) which could result from significant (negative) effects of road, and forest edge, and/or a (positive) effect of river proximity. Our results also suggest that the population size may be ∼47,000 individuals in the ANP, hinting that the population likely underwent a strong decline in some parts of the Park in recent decades, possibly caused by habitat loss from fires and charcoal production and by poaching. We suggest community‐based conservation actions for the largest remaining population of Coquerel's sifaka which will (i) maintain forest connectivity; (ii) implement alternatives to deforestation through charcoal production, logging, and grass fires; (iii) reduce poaching; and (iv) enable long‐term monitoring of the population in collaboration with local authorities and researchers. Am. J. Primatol. 76:515–528, 2014. © 2014 Wiley Periodicals, Inc.
Dihydrobiphenylenes through Ruthenium‐Catalyzed [2+2+2] Cycloadditions of ortho‐Alkenylarylacetylenes with Alkynes
Authors: García‐Rubín Silvia , González‐Rodríguez Carlos , García‐Yebra Cristina , Varela Jesús A. , Esteruelas Miguel A. , Saá Carlos
Published: January 2014

A new synthetic route to dihydrobiphenylenes has been developed. The process involves a mild RuII‐catalyzed [2+2+2] dimerization of ortho‐alkenylarylacetylenes or its more versatile variant, the Ru‐catalyzed [2+2+2] cycloaddition of ortho‐ethynylstyrenes with alkynes. Mechanistic aspects of this [2+2+2] cycloaddition are discussed.
Properties of extruded starch–poly(methyl acrylate) graft copolymers prepared from spherulites formed from amylose–oleic acid inclusion complexes
Authors: Fanta George F. , Finkenstadt Victoria L. , Felker Frederick C.
Published: January 2014

Mixtures of high‐amylose corn starch and oleic acid were processed by steam jet cooking, and the dispersions were rapidly cooled to yield amylose–oleic acid inclusion complexes as micron‐ and submicron‐sized spherulites and spherulite aggregates. Dispersions of these spherulite particles were then graft polymerized with methyl acrylate, both before and after removal of uncomplexed amylopectin by water washing. For comparison, granular, uncooked high‐amylose corn starch was also graft polymerized in a similar manner. Graft copolymers with similar percentages of grafted and ungrafted poly(methyl acrylate) (PMA) were obtained from these polymerizations. The graft copolymers were then processed by extrusion through a ribbon die, and the tensile properties of the extruded ribbons were determined. Although extruded ribbons with similar tensile strengths were obtained from the three starch–PMA graft copolymers, much higher values for % elongation were obtained from the spherulite‐containing systems. Also, the tensile properties were not significantly affected by removal of soluble, uncomplexed amylopectin by water washing before graft polymerization. These results are consistent with the observation that these PMA‐grafted starch particles did not melt during extrusion, and that continuous plastic ribbons were formed by fusing these particles together in the presence of small amounts of thermoplastic PMA matrix. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 40381.
An integrated teaching method of gross anatomy and computed tomography radiology
Authors: Murakami Tohru , Tajika Yuki , Ueno Hitoshi , Awata Sachiko , Hirasawa Satoshi , Sugimoto Maki , Kominato Yoshihiko , Tsushima Yoshito , Endo Keigo , Yorifuji Hiroshi
Published: January 2014

It is essential for medical students to learn and comprehend human anatomy in three dimensions (3D). With this in mind, a new system was designed in order to integrate anatomical dissections with diagnostic computed tomography (CT) radiology. Cadavers were scanned by CT scanners, and students then consulted the postmortem CT images during cadaver dissection to gain a better understanding of 3D human anatomy and diagnostic radiology. Students used handheld digital imaging and communications in medicine viewers at the bench‐side (OsiriX on iPod touch or iPad), which enabled “pixel‐to‐tissue” direct comparisons of CT images and cadavers. Students had lectures and workshops on diagnostic radiology, and they completed study assignments where they discussed findings in the anatomy laboratory compared with CT radiology findings. This teaching method for gross and radiological anatomy was used beginning in 2009, and it yielded strongly positive student perspectives and significant improvements in radiology skills in later clinical courses. Anat Sci Educ 7: 438–449. © 2014 American Association of Anatomists.
The amide III vibrational circular dichroism band as a probe to detect conformational preferences of alanine dipeptide in water
Authors: Mirtič Andreja , Merzel Franci , Grdadolnik Jože
Published: January 2014

The conformational preferences of blocked alanine dipeptide (ADP), Ac‐Ala‐NHMe, in aqueous solution were studied using vibrational circular dichroism (VCD) together with density functional theory (DFT) calculations. DFT calculations of three most representative conformations of ADP surrounded by six explicit water molecules immersed in a dielectric continuum have proven high sensitivity of amide III VCD band shape that is characteristic for each conformation of the peptide backbone. The polyproline II (PII) and αR conformation of ADP are associated with a positive VCD band while β conformation has a negative VCD band in amide III region. Knowing this spectral characteristic of each conformation allows us to assign the experimental amide III VCD spectrum of ADP. Moreover, the amide III region of the VCD spectrum was used to determine the relative populations of conformations of ADP in water. Based on the interpretation of the amide III region of VCD spectrum we have shown that dominant conformation of ADP in water is PII which is stabilized by hydrogen bonded water molecules between CO and NH groups on the peptide backbone. © 2014 Wiley Periodicals, Inc. Biopolymers 101: 814–818, 2014.
A semi‐quantitative approach to variation of the azygos vein course
Authors: Bales G.
Published: January 2014

The azygos vein (AV) is typically described (illustrated) as ascending vertically on the right of thoracic vertebrae. Most thoracic vein studies have focused on tributary patterns, but some have noted more leftward AV courses. This study statistically documents variation in AV course independent of tributary patterns. A more statistical approach to the probable position of AV at different vertical levels may aid clinicians in locating and assessing it in clinical contexts. The AV course was exposed in 84 cadavers by removing overlying viscera between the aortic hiatus and tracheal bifurcation. Subjectively, non‐pathological specimens were digitally photographed in anterior view. For each photo, a scaled grid was used to mark the horizontal position of the AV center at each of five vertical levels. The summated numerical distributions showed the following: ∼5% of the AVs ascended on the right side (classical) position, ∼30% did not cross the midline, ∼70% included part or all of their course left of the midline, and ∼14% reached the extreme left side. Based on this data, the modal AV course (1) begins at, or to the right of, the midline, (2) deviates leftward, (3) crosses the midline below mid‐level, (4) reaches a leftward maximum at about 3/5 of its course, (5) then deviates rightward (often only reaching the midline at the uppermost level). In several noticeable cases, the leftward maximum was associated with large connections to left‐side veins, suggesting a possible tension mechanism exerting traction on the AV over time. Clin. Anat. 27:1030–1037, 2014. © 2014 Wiley Periodicals, Inc.
Mechanistic Insight into Peroxo‐Shunt Formation of Biomimetic Models for Compound II, Their Reactivity toward Organic Substrates, and the Influence of N‐Methylimidazole Axial Ligation
Authors: Oszajca Maria , Drzewiecka‐Matuszek Agnieszka , Franke Alicja , Rutkowska‐Zbik Dorota , Brindell Małgorzata , Witko Małgorzata , Stochel Grażyna , van Eldik Rudi
Published: January 2014

High‐valent iron‐oxo species have been invoked as reactive intermediates in catalytic cycles of heme and nonheme enzymes. The studies presented herein are devoted to the formation of compound II model complexes, with the application of a water soluble (TMPS)FeIII(OH) porphyrin ([meso‐tetrakis(2,4,6‐trimethyl‐3‐sulfonatophenyl)porphinato]iron(III) hydroxide) and hydrogen peroxide as oxidant, and their reactivity toward selected organic substrates. The kinetics of the reaction of H2O2 with (TMPS)FeIII(OH) was studied as a function of temperature and pressure. The negative values of the activation entropy and activation volume for the formation of (TMPS)FeIVO(OH) point to the overall associative nature of the process. A pH‐dependence study on the formation of (TMPS)FeIVO(OH) revealed a very high reactivity of OOH− toward (TMPS)FeIII(OH) in comparison to H2O2. The influence of N‐methylimidazole (N‐MeIm) ligation on both the formation of iron(IV)‐oxo species and their oxidising properties in the reactions with 4‐methoxybenzyl alcohol or 4‐methoxybenzaldehyde, was investigated in detail. Combined experimental and theoretical studies revealed that among the studied complexes, (TMPS)FeIII(H2O)(N‐MeIm) is highly reactive toward H2O2 to form the iron(IV)‐oxo species, (TMPS)FeIVO(N‐MeIm). The latter species can also be formed in the reaction of (TMPS)FeIII(N‐MeIm)2 with H2O2 or in the direct reaction of (TMPS)FeIVO(OH) with N‐MeIm. Interestingly, the kinetic studies involving substrate oxidation by (TMPS)FeIVO(OH) and (TMPS)FeIVO(N‐MeIm) do not display a pronounced effect of the N‐MeIm axial ligand on the reactivity of the compound II mimic in comparison to the OH− substituted analogue. Similarly, DFT computations revealed that the presence of an axial ligand (OH− or N‐MeIm) in the trans position to the oxo group in the iron(IV)‐oxo species does not significantly affect the activation barriers calculated for CH dehydrogenation of the selected organic substrates.
Supramolecular Approaches towards Ordered Polymer Materials
Authors: Uemura Takashi
Published: January 2014

Controlled organization of polymer chains into ordered structures is highly important to tune or enhance the properties of the polymeric materials. A supramolecular approach using host–guest chemistry has allowed rational design of chain assemblies with many functional properties. Nanoporous materials with ordered channel structures are particularly useful for attaining precise assemblies of polymer chains through nanoconfinement.
Palladium‐Catalyzed Aza‐Wittig‐Type Condensation of Isoxazol‐5(4H)‐ones with Aldehydes
Authors: Okamoto Kazuhiro , Shimbayashi Takuya , Tamura Eisuke , Ohe Kouichi
Published: January 2014

This paper describes the development of a palladium‐catalyzed decarboxylative inter‐ and intramolecular condensation reaction of isoxazol‐5(4 H)‐ones with carbonyl compounds in the presence of PPh3, giving various 2‐azabuta‐1,3‐dienes or pyrroles in moderate to high yields.
Material Behavior of Deep‐Frozen Bulk Solids at Compression
Authors: Müller Peter , Gomolla Franziska , Tomas Jürgen
Published: January 2014

Die Arbeit soll das komplexe Zusammenspiel ausgewählter Einflussparameter auf das Materialverhalten tiefgefrorener Schüttgüter verdeutlichen. Zudem sollen die Versuchsergebnisse in der Praxis helfen, das Materialverhalten besser einschätzen zu können. Als Versuchsmaterialien wurden Steinkohle, Eisenerz und Sand ausgewählt und mit Wasser gesättigte, würfelförmige Proben in einem Tiefkühlschrank über einen definierten Zeitraum eingefroren. Anschließend wurden einaxiale Druckversuche mit den tiefgefrorenen Proben durchgeführt, wobei der Einfluss der Einfrierzeit und der Partikelgröße auf das mechanische Verhalten analysiert wurde.
Removal of Cr(VI) from Aqueous Solutions Using Buckwheat (Fagopyrum esculentum Moench) Hull through Adsorption–Reduction: Affecting Factors, Isotherm, and Mechanisms
Authors: Li Kebin , Zhang Yanhui , Dang Yan , Wei Hong , Wang Qiquan
Published: January 2014

Cr(VI) is a highly toxic pollutant and its contamination frequently occurs in aqueous environment. As an agricultural waste byproduct, buckwheat hull was used in this study as a low‐cost biomaterial to remove Cr(VI) from aqueous solutions. The biomass was characterized using scanning electron microscopy, X‐ray photoelectron spectroscopy (XPS), and Fourier transform infrared (FT‐IR) spectroscopy. The performance of buckwheat hull on Cr(VI) removal was investigated using the batch experiments. The effect of affecting factors, such as solution pH, initial concentration of Cr(VI), adsorbent dose, temperature, and contact time, were carefully examined. The obtained results revealed that pH had significant effect on Cr(VI) removal and the optimal pH was about 2.0. Increase of adsorbent dose was favorable to the increase of removal ratio, but it decreased the adsorption capacity. Among Langmuir, Freundlich, and Dubinin–Radushkevich models, the Langmuir model was found to best fit the adsorption isotherms of Cr(VI) on buckwheat hull. The maximum adsorption capacity at 45°C was 63.61 mg g−1. The thermodynamic parameters (ΔG°, ΔH°, and E) analysis indicated that the adsorption process was a spontaneous, endothermic and chemisorption process. In addition, XPS analysis revealed that the adsorbed Cr(VI) was partially reduced to Cr(III). FT‐IR spectra indicated that the carboxyl and amino groups were involved in chromium adsorption. From these results, the most probable mechanisms for removal of Cr(VI) using buckwheat hull were found to be electrostatic attraction, chemical reduction, and complex interaction.
Unveiling the role of TNF‐α in mesenchymal stromal cell‐mediated immunosuppression
Authors: Pistoia Vito , Raffaghello Lizzia
Published: January 2014

Mesenchymal stromal cells (MSCs) are multipotent progenitors of mesodermal origin that not only differentiate into osteoblasts, chondrocytes, connective stromal cells, and adipocytes, but also exert immunoregulatory activities, usually induced by soluble molecules released during the cross‐talk between MSCs and their target immune cell populations. In this issue of the European Journal of Immunology, Dorronsoro et al. [Eur. J. Immunol. 2014. 44: 480–488] demonstrate for the first time that TNF‐α released by activated T cells confers immunosuppressive properties upon MSCs by binding to TNF‐R1 and activating the NF‐kB pathway. Such findings may improve our knowledge of the mechanisms underlying the reported efficacy of human MSCs administered locally or systemically to patients with autoimmune/inflammatory disorders, such as Crohn's disease and graft versus host disease, as discussed in this commentary.
Single‐Crystal X‐ray Diffraction and Solution Studies of Anion–π Interactions in N‐(Pentafluorobenzyl)pyridinium Salts
Authors: Giese Michael , Albrecht Markus , Repenko Tatjana , Sackmann Johannes , Valkonen Arto , Rissanen Kari
Published: January 2014

A solid‐state structural study on anion–π interaction in various N‐(pentafluorobenzyl)pyridinium salts accompanied by NMR spectroscopic investigations is presented. The crystal structures of 1a–1d reveal different kinds of contacts with anions, including anion–π interactions. In particular, the solid‐state structure of 1b‐I3 shows distinct evidence of anion–π interactions. Attempts to study anion–π interactions in solution were not successful, but their presence in solution could not be ruled out.
Rhodium‐Catalyzed Cross‐Coupling of Vinylarenes with Arylaluminum Reagents in the Presence of Ketones
Authors: Tanaka Shota , Mori Atsunori
Published: January 2014

Rhodium‐catalyzed addition/elimination of arylaluminum reagents with vinylarenes was achieved to obtain stilbene derivatives. The reaction of diethyl(phenyl)aluminum with styrene in the presence of the chloro(1,5‐cyclooctadiene)rhodium(I) dimer, [RhCl(cod)]2, and diisopropyl ketone (2,4‐dimethyl‐3‐pentanone) as an additive occurred to give (E)‐stilbene in quantitative yield. The use of other arylaluminum reagents afforded β‐arylated products in good to excellent yields. This reaction was found to be promoted by ketones as additives, which are reduced to the corresponding alcohols, as confirmed by analysis of the crude reaction mixture by 1H NMR spectroscopy.
Prevention of Mitochondrial Membrane Permeabilization and Pancreatic β‐Cell Death by an Enantioenriched, Macrocyclic Small Molecule
Authors: Jimmidi Ravikumar , Shroff Govardhan K. , Satyanarayana M. , Reddy B. Ramesh , Kapireddy Jahnavi , Sawant Mithila A. , Sitaswad Sandhya L. , Arya Prabhat , Mitra Prasenjit
Published: January 2014

Mitochondria produce the majority of cellular energy through the process of oxidative phosphorylation and play a central role in regulating the functionality and survival of eukaryotic cells. Under physiological stress, mitochondrial membrane permeabilization results in the release of apoptogenic material such as cytochrome c in the cytoplasm, which thereby initiates caspase activation and the consequent cell death. In our present study, we screened a series of compounds for their ability to inhibit mitochondrial membrane permeabilization and to prevent cytochrome c release during the endoplasmic reticulum stress in cultured pancreatic β‐cells. Three benzofuran‐based macrocyclic small molecules, that is, 2.4c, c104, and c108, were found to restore the depolarization of mitochondrial membrane potential and to prevent the release of cytochrome c from mitochondria. Interestingly, the acyclic precursor of 2.4c (i.e., 2.3c) did not show any effect, whereas the macrocyclic derivative obtained by utilizing ring‐closing metathesis as the “stitching technology” led to this function. The macrocyclic architecture seems to play a crucial role in presenting various functional moieties in the right orientation to observe this effect.
Thermal lens microscopy as a detector in microdevices
Authors: Cassano Christopher L. , Mawatari Kazuma , Kitamori Takehiko , Fan Z. Hugh
Published: January 2014

The small length scales that make microfluidics attractive are also the source of some very stringent constraints, especially with respect to the detection approach used. The low concentrations often analyzed in microfluidic devices require highly sensitive detection methods that are effective even in vanishingly small sample volumes. Over the years, many detection approaches have been developed for microfluidics. The majority of these methods rely upon optical phenomena, with the most common being fluorescence detection. Fluorescence detection is well suited to microfluidics because it is both flexible and sensitive; however, it does have shortcomings. Weak fluorescence of targets, autofluorescence of materials, and photobleaching are a few of the issues that have to be dealt with when working with fluorescence detection. Another option that eliminates all of these problems is thermal lens microscopy (TLM), a photothermal spectroscopy technique. TLM is a flexible, sensitive detection approach for nonfluorescent molecules that is capable of carrying out single‐molecule detection to label‐free in vivo quantification. Despite the potential benefits of TLM, it is still an underutilized detection approach. We hope this review will help broaden the use of TLM for microchip‐based CE, as well as a host of other microfluidic applications.
pH‐regulated formation of side products in the reductive amination approach for differential labeling of peptides in relative quantitative experiments
Authors: Mortera Stefano Levi , Dioni Ilaria , Greco Viviana , Neri Cristina , Rovero Paolo , Urbani Andrea
Published: January 2014

Among the most common stable‐isotope labeling strategies, the reaction of formaldehyde with peptides in the presence of NaCNBH3 features many attractive aspects that are conducive to its employment in quantitation experiments in proteomics. Reductive amination, with formaldehyde and d(2)‐formaldehyde, is reported to be a fast, easy, and specific reaction, undoubtedly inexpensive if compared with commercially available kits for differential isotope coding. Acetaldehyde and d(4)‐acetaldehyde could be employed as well without a substantial increase in terms of cost, and should provide a wider spacing between the differentially tagged peptides in the mass spectrum. Nevertheless, only a single paper reports about a diethylation approach for quantitation. We undertook a systematic analytical investigation on the reductive amination of some standard peptides pointing out the occasional occurrence of side reactions in dependence of pH or reagents order of addition, particularly observing the formation of cyclic adducts ascribable to rearrangements involving the generated Schiff‐base and all the nucleophilic sites of its chemical environment. We also tried to evaluate how much this side‐products amount may impair isotope coded relative quantitation.
Beneficial mycorrhizal symbionts affecting the production of health‐promoting phytochemicals
Authors: Sbrana Cristiana , Avio Luciano , Giovannetti Manuela
Published: January 2014

Fresh fruits and vegetables are largely investigated for their content in vitamins, mineral nutrients, dietary fibers, and plant secondary metabolites, collectively called phytochemicals, which play a beneficial role in human health. Quantity and quality of phytochemicals may be detected by using different analytical techniques, providing accurate quantification and identification of single molecules, along with their molecular structures, and allowing metabolome analyses of plant‐based foods. Phytochemicals concentration and profiles are affected by biotic and abiotic factors linked to plant genotype, crop management, harvest season, soil quality, available nutrients, light, and water. Soil health and biological fertility play a key role in the production of safe plant foods, as a result of the action of beneficial soil microorganisms, in particular of the root symbionts arbuscular mycorrhizal fungi. They improve plant nutrition and health and induce changes in secondary metabolism leading to enhanced biosynthesis of health‐promoting phytochemicals, such as polyphenols, carotenoids, flavonoids, phytoestrogens, and to a higher activity of antioxidant enzymes. In this review we discuss reports on health‐promoting phytochemicals and analytical methods used for their identification and quantification in plants, and on arbuscular mycorrhizal fungi impact on fruits and vegetables nutritional and nutraceutical value.
Time in hemodialysis modulates the levels of genetic damage in hemodialysis patients
Authors: Rodríguez‐Ribera Lara , Stoyanova Elitsa , Corredor Zuray , Coll Elisabet , Silva Irene , Diaz Juan Manuel , Ballarin José , Marcos Ricard , Pastor Susana
Published: January 2014

It is assumed that hemodialysis treatment can diminish the levels of genetic damage in circulating lymphocytes by cleaning the blood of uremic toxins that cause oxidative stress. However, the hemodialysis process by itself may also induce genomic damage by producing reactive oxygen species (ROS). We conducted a follow‐up study in a group of 70 hemodialysis patients followed for a mean time of 15 months. We investigated the effect of exposure time in hemodialysis on the levels of genetic damage in peripheral blood lymphocytes using the micronucleus assay. In addition, genetic damage after in vitro irradiation with 0.5 Gy was also analyzed to evaluate changes in radiosensitivity. Our results showed that, at the end of the study, there was a decrease in both the basal levels of genetic damage (9.9 ± 1.0 vs. 7.6 ± 0.7) and radiosensitivity values (38.5 ± 3.0 vs. 27.6 ± 2.4). We conclude that hemodialysis procedures may act as an ameliorating factor reducing the genetic damage present in chronic kidney disease patients. Environ. Mol. Mutagen. 55:363–368, 2014. © 2014 Wiley Periodicals, Inc.
Hardware‐in‐the‐Loop Testing of Control Strategies for Distributed Generation in the Smart Grid
Authors: Velvelidis Vasileios , Hollinger Raphael , Wittwer Christof
Published: January 2014

The development of smart grids is accompanied by increasing demands on distributed generators, consumers, and storage systems. In addition to fulfilling their primary objectives (e.g., supplying heat in the case of a combined heat and power plant), distributed units have to contribute to the compensation of fluctuating output from renewable energy sources and provide grid services. Testing and developing decentralized power‐generation control strategies require a suitable environment, in which dynamic system behavior and hardware characteristics can be explored. A hardware‐in‐the‐loop facility is available at the SmartEnergyLab at Fraunhofer ISE, and it is used in this study to develop an optimized controller concept for a gas‐driven cogeneration system with a large thermal storage tank. The aim of this study is to discuss the hardware‐in‐the‐loop concept, linking the hardware components of the SmartEnergyLab with the virtual environment. This is realized with the ColSim simulation environment. Based on an installed micro‐cogeneration unit (μCHP) in the laboratory, a model predictive controller design for a thermal–electrical operation of the cogeneration system is presented.
Highly Efficient Solar Hydrogen Generation—An Integrated Concept Joining III–V Solar Cells with PEM Electrolysis Cells
Authors: Rau Sebastian , Vierrath Severin , Ohlmann Jens , Fallisch Arne , Lackner David , Dimroth Frank , Smolinka Tom
Published: January 2014

In this work, a concept of highly efficient solar–hydrogen generation by direct coupling of III–V multijunction solar cells with proton exchange membrane (PEM) electrolysis cells is presented. III–V solar cells under concentrated illumination feature voltages above 2 V enabling the generation of hydrogen by water electrolysis. The resulting “hydrogen concentrator” is called HyCon. The temperature‐dependent electrochemical behavior of a PEM electrolysis cell is analyzed and its current–voltage characteristics are presented. The distribution of the velocity of the water flow and pressure for different flow fields is simulated by fluidic simulation. An electrolysis cell featuring a porous fiber as a current collector without any flow‐field pattern shows no visible difference in performance compared to a cell with a flow field pattern. Outdoor measurements of a HyCon module with 6 cells show a maximum efficiency of 16.8 % for one of the HyCon cells. Higher currents at lower voltages are desirable. In this respect the III–V multijunction solar cells can be optimized to obtain a higher current by adapting the indium content of each sub cell. This will lead to an increase of the system efficiency. The improvements, which will be applied in the near future, are discussed.
Treibstoff der Nähe
Authors: Unterstell Rembert
Published: January 2014

In den Medien ist es das Kuschel‐ oder Orgasmushormon. Doch auch in der Wissenschaft genießt das Oxytocin höchste Aufmerksamkeit. Der Biopsychologe Markus Heinrichs über die besonderen Qualitäten und Geheimnisse des körpereigenen Stoffes — und über die Vision einer Psychotherapie für Menschen mit schweren sozialen Störungen.
Servo am Knie
Authors: Block Julia , Hielscher Jürgen , Meiß Thorsten
Published: January 2014

Möglichst lange selbstständig leben — ein vitaler Wunsch in der alternden Gesellschaft. Ingenieure und Orthopädietechniker haben eine motorisierte Kniegelenk‐Orthese entwickelt, die abnehmende Muskelkraft kompensieren und Aktivität und Mobilität im Alltag sichern soll.
Management of recurrent and persistent metastatic lymph nodes in well‐differentiated thyroid cancer: A multifactorial decision‐making guide for the thyroid cancer care collaborative
Authors: Urken Mark L. , Milas Mira , Randolph Gregory W. , Tufano Ralph , Bergman Donald , Bernet Victor , Brett Elise M. , Brierley James D. , Cobin Rhoda , Doherty Gerard , Klopper Joshua , Lee Stephanie , Machac Josef , Mechanick Jeffrey I. , Orloff Lisa A. , Ross Douglas , Smallridge Robert C. , Terris David J , Clain Jason B , Tuttle Michael
Published: January 2014

Background

Well‐differentiated thyroid cancer (WDTC) recurs in up to 30% of patients. Guidelines from the American Thyroid Association (ATA) and the National Comprehensive Cancer Network (NCCN) provide valuable parameters for the management of recurrent disease, but fail to guide the clinician as to the multitude of factors that should be taken into account. The Thyroid Cancer Care Collaborative (TCCC) is a web‐based repository of a patient's clinical information. Ten clinical decision‐making modules (CDMMs) process this information and display individualized treatment recommendations.

Methods

We conducted a review of the literature and analysis of the management of patients with recurrent/persistent WDTC.

Results

Surgery remains the most common treatment in recurrent/persistent WDTC and can be performed with limited morbidity in experienced hands. However, careful observation may be the recommended course in select patients. Reoperation yields biochemical remission rates between 21% and 66%. There is a reported 1.2% incidence of permanent unexpected nerve paralysis and a 3.5% incidence of permanent hypoparathyroidism. External beam radiotherapy and percutaneous ethanol ablation have been reported as therapeutic alternatives. Radioactive iodine as a primary therapy has been reported previously for metastatic lymph nodes, but is currently advocated by the ATA as an adjuvant to surgery.

Conclusion

The management of recurrent lymph nodes is a multifactorial decision and is best determined by a multidisciplinary team. The CDMMs allow for easy adoption of contemporary knowledge, making this information accessible to both patient and clinician. © 2014 Wiley Periodicals, Inc. Head Neck 37: 605–614, 2015
Perturbations of theDushmanReaction with Piroxicam: Experimental and Model Calculations
Authors: Pejić Nataša D. , Blagojević Slavica M. , Sarap Nataša B. , Maksimović Jelena P. , Anić Slobodan R. , Čupić Željko D. , Kolar‐Anić Ljiljana Z.
Published: January 2014

Perturbation of theBrayLiebhafskynon‐oscillating subsystem (mixture of KIO3and H2SO4),i.e., Dushmanreaction (DR), by piroxicam (PX), was observed in an open reactor,i.e., in the continuously fed well‐stirred tank reactor (CSTR). Monitoring the response ofDRto perturbations by different concentrations of PX allows developing a simple procedure for quantitative determination of this analyte in both bulk drug and pharmaceutical preparation (injection). A tentative perturbation mechanism of PX action on theDRmatrix, based on a kinetic scheme that was suggested byAgreda et al., is proposed. The PX reactivity inDRhas been generally related to the reaction of PX with hypoiodous acid (HIO) present in the matrix.
A Stereoselective Aldol Approach for the Total Syntheses of Two 6‐Alkylated 2H‐Pyran‐2‐ones
Authors: Rajaram Singanaboina , Ramesh Dasari , Ramulu Udugu , Prabhakar Peddikotla , Venkateswarlu Yenamandra
Published: January 2014

A simple and highly efficient stereoselective total synthesis of the 6‐alkylated pyranones (6R)‐6‐[(1E,4R,6R)‐4,6‐dihydroxy‐10‐phenyldec‐1‐en‐1‐yl]‐5,6‐dihydro‐2H‐pyran‐2‐one (1) and (6S)‐5,6‐dihydro‐6‐[(2R)‐2‐hydroxy‐6‐phenylhexyl]‐2H‐pyran‐2‐one (2) was developed using Crimmins' aldol reaction, SmI2 reduction, Grubbs‐II‐catalyzed olefin cross‐metathesis, and Still's modified HornerWadsworthEmmons reaction.
Eudesmanolides and Guaianolides from Carpesium triste
Authors: Wu Hai‐Bo , Wang Wen‐Shu , Liu Ting‐Ting , Jiao Yu‐Guo
Published: January 2014

A new eudesmanolide, 1‐oxo‐11αH‐eudesma‐2,4(14)‐dien‐12,8β‐olide (1), and four new guaianolides, 9β,10β‐epoxy‐4α‐hydroxy‐1βH,11αH‐guaian‐12,8α‐olide (2), 9β,10β‐epoxy‐4α‐hydroxy‐1βH,11βH‐guaian‐12,8α‐olide (3), 4α,9α‐dihydroxy‐1βH,11αH‐guai‐10(14)‐en‐12,8α‐olide (4), and 4α,9α‐dihydroxy‐1βH,11βH‐guai‐10(14)‐en‐12,8α‐olide (5), together with one known eudesmanolide and two known germacranolides, were isolated from the whole plants of Carpesium triste. Their structures and relative configurations were elucidated on the basis of spectroscopic methods, including 2D‐NMR techniques.
A Novel One‐Pot Sulfonyloxylactonization of Alkenoic Acids Mediated by Hypervalent Iodine Species Generated in situ from Ammonium Iodide
Authors: Hu Jiantao , Zhu Min , Xu Yuan , Yan Jie
Published: January 2014

A novel and efficient one‐pot procedure was designed for the sulfonyloxylactonization of alkenoic acids by the reaction of alkenoic acids with m‐chloroperbenzoic acid and sulfonic acids in the presence of a catalytic amount of ammonium iodide in a mixture acetonitrile/2,2,2‐trifluoroethanol (4 : 1) at room temperature for 24 h, which provided the corresponding sulfonyloxy lactones in moderate‐to‐good yields.
Rare C25 Steroids Produced by Penicillium chrysogenum P1X, a Fungal Endophyte of Huperzia serrata
Authors: Ying You‐Min , Zheng Zhen‐Zhen , Zhang Li‐Wen , Shan Wei‐Guang , Wang Jian‐Wei , Zhan Zha‐Jun
Published: January 2014

Three new metabolites, norcyclocitrinol A (1), erythro‐11α‐hydroxyneocyclocitrinol (2), and pesudocyclocitrinol A (3), along with six known analogs, i.e., neocyclocitrinols A–D (4–7, resp.), cyclocitrinol (8), and 24‐epicyclocitrinol (9), were isolated and identified from the culture broth of Penicillium chrysogenum P1X, a fungal endophyte of Huperzia serrata. Compounds 1–9 were identified by spectroscopic methods to share the same C25‐steroid skeleton featuring an unusual bicyclo[4.4.1] A/B ring system. In particular, 1 represents the first example of a C25 steroid with a bisnor C‐atom side chain. All compounds were evaluated for their cytotoxic activities against HeLa and HepG2 cell lines. However, none of them exhibited a significant cytotoxicity at a concentration of 20 μM.
Confusing Quantitative Descriptions of BrønstedLowry AcidBase Equilibria in Chemistry Textbooks – A Critical Review and Clarifications for Chemical Educators
Authors: Meister Erich C. , Willeke Martin , Angst Werner , Togni Antonio , Walde Peter
Published: January 2014

In chemistry textbooks, the pK value of water in the solvent water at 25 °C is sometimes given as 14.0, sometimes as 15.7. This is confusing. The particular chemical reaction considered is the one in which water as BrønstedLowry acid reacts with water as BrønstedLowry base in water as solvent to yield equal concentrations of hydrated oxonium and hydroxide ions, H3O+(aq) and HO−(aq), respectively. This reaction is also known as the ‘self‐ionization’ of water for which the equilibrium constant is abbreviated as Kw with its known value of 10−14.0 at 25 °C, i.e., pKw(25 °C)=14.0. Identical values for pK and pKw at a fixed temperature appear reasonable, since K and Kw refer to one and the same reaction. Therefore, reasons for the apparent disagreement between the ‘thermodynamically correct’ pKa value for water (14.0 at 25 °C) and the value reported in most organic chemistry textbooks (15.7) should be discussed when teaching acidbase chemistry. There are good arguments for introducing, from the very beginning, the concepts of activity and thermodynamic standard states when teaching quantitative aspects of chemical equilibria. This also explains in a straightforward way why all thermodynamic equilibrium constants, including Kw, are dimensionless, and why pK(25 °C)=0.
New Orsellinic Acid Esters from Fungus Chaetomium globosporum
Authors: Xu Guo‐Bo , Wang Ni‐Ni , Bao Jin‐Ku , Yang Tao , Li Guo‐You
Published: January 2014

Seven new orsellinic acid esters, 1–7, and four known compounds were isolated from the solid, fermented rice culture of Chaetomium globosporum (cib‐132). Their structures were elucidated by 1D‐ and 2D‐NMR spectra, and the relative configuration of compound 1 was determined by X‐ray crystallographic analysis.
Modelling sediment deposition and phosphorus retention in a river floodplain
Authors: González‐Sanchis M. , Murillo J. , Cabezas A. , Vermaat J. E. , Comín F. A. , García‐Navarro P.
Published: January 2014

Phosphorus (P) is one of the major limiting nutrient in many freshwater ecosystems. During the last decade, attention has been focused on the fluxes of suspended sediment and particulate P through freshwater drainage systems because of severe eutrophication effects in aquatic ecosystems. Hence, the analysis and prediction of phosphorus and sediment dynamics constitute an important element for ecological conservation and restoration of freshwater ecosystems. In that sense, the development of a suitable prediction model is justified, and the present work is devoted to the validation and application of a predictive soluble reactive phosphorus (SRP) uptake and sedimentation models, to a real riparian system of the middle Ebro river floodplain. Both models are coupled to a fully distributed two‐dimensional shallow‐water flow numerical model. The SRP uptake model is validated using data from three field experiments. The model predictions show a good accuracy for SRP concentration, where the linear regressions between measured and calculated values of the three experiments were significant (r2 ≥ 0.62; p ≤ 0.05), and a Nash–Sutcliffe coefficient (E) that ranged from 0.54 to 0.62. The sedimentation model is validated using field data collected during two real flooding events within the same river reach. The comparison between calculated and measured sediment depositions showed a significant linear regression (p ≤ 0.05; r2 = 0.97) and an E that ranged from 0.63 to 0.78. Subsequently, the complete model that includes flow dynamics, solute transport, SRP uptake and sedimentation is used to simulate and analyse floodplain sediment deposition, river nutrient contribution and SRP uptake. According to this analysis, the main SRP uptake process appears to be the sediment sorption. The analysis also reveals the presence of a lateral gradient of hydrological connectivity that decreases with distance from the river and controls the river matter contribution to the floodplain. Copyright © 2014 John Wiley & Sons, Ltd.
Conductor‐like screening model for relaxed excited states: Implementation in the semiempirical method MSINDO
Authors: Krause Katharina , Bredow Thomas
Published: January 2014

Two approaches to treat solvent polarization and reorientation effects for excited states of molecules and surfaces have been implemented in the recently developed MSINDO‐sCIS method (Gadaczek, Krause, Hintze, Bredow, J. Chem. Theory Comput. 2011, 7, 3675). They allow for an efficient calculation of analytical energy gradients and hence open the opportunity to investigate fluorescence effects or photochemical reactions in solution for large molecules that are difficult to treat with high‐level methods. Both approaches are based on the conductor‐like screening model (COSMO) (Klamt and Schüürmann, J. Chem. Soc., Perkin Trans. 1993, 2, 799) in combination with the configuration interaction singles (CIS) method (Foresman, Head‐Gordon, Pople, and Frisch, J. Phys. Chem. 1992, 96, 135). The paper gives a brief outline of the theoretical background. As a first application, solvent shifts of three well‐studied, environment‐sensitive fluorescent dyes (Kucherak, Didier, Mély, and Klymchenko, J. Phys. Chem. Lett. 2010, 1, 616) have been calculated and compared with experimental results and standard time‐dependent density functional theory. A statistical evaluation of MSINDO‐COSMO‐sCIS is provided for a set of 39 molecules suggested recently by Jacquemin et al. (Jacquemin, Planchat, Adamo, and Mennucci, J. Chem. Theory Comput. 2012, 8, 2359). Calculated vertical and adiabatic excitation energies and fluorescence energies are compared to experimental data. © 2014 Wiley Periodicals, Inc.