bluuebunny/crossref_metadata_2025 huggingface dataset:
Habitat conditions of the Nymphaeetum candidae Miljan 1958 and Nupharo-Nymphaeetum albae Tomaszewicz 1977 dominated by Nymphaea alba
Authors: Kłosowski Stanisław , Tomaszewicz Henryk
Published: April 2013

The paper presents comparative analysis of habitats of 19 phytocoenoses of the Nymphaeetum candidae and 21 phytocoenoses of the Nupharo-Nymphaeetum albae dominated by N. alba from the lakes of north-eastern Poland. The differences in ecological amplitudes and optima of occurence between two phytocoenose types were pronounced. The N. candida phytocoenoses had narrower amplitudes both regarding the properties of water and substrate and required higher minimum nutrient contents as compared to the N. alba phytocoenoses. Habitat distinction of phytocoenoses dominated by N. candida expressed in a relatively narrow trophic amplitude totally justifies to distinguish Nymphaeetum candidae as a separate syntaxon.
Tunable Optical Diffuser Based on Deformable Wrinkles
Authors: Ohzono Takuya , Suzuki Kosuke , Yamaguchi Tomohiko , Fukuda Nobuko
Published: April 2013

The optical diffusion of transmitted or reflected light via a deformable wrinkled surface with a periodicity in the range of hundreds of micrometers is studied. Without strain, the sample shows no wrinkles and no optical diffusion. With uniaxial strain, the surface shows aligned wrinkles and anisotropically diffuses incident light in a manner that depends on the degree of applied strain. The relationship between the sinusoidal microstructure and the diffused state is successfully explained in the context of geometric optics. The present system can be used as a mechanically tunable optical diffuser.
Effect of ring‐type internals on solids distribution in a dual circulating fluidized bed system—cold flow model study
Authors: Guío‐Pérez Diana Carolina , Hofbauer Hermann , Pröll Tobias
Published: April 2013

The redistribution of solids in a counter‐current circulating fluidized bed (CFB) by effect of ring‐type internals was investigated in a downscaled cold‐flow model. The system consists of two interconnected CFB reactors, in which the primary reactor operates like a common riser while the secondary reactor operates in counter‐current. The unit works without circulation rate control devices and the inventory splits inherently between the two reactors by pressure balance and depending on the fluidization velocities. Previous studies showed an increment in the total pressure drop in the secondary reactor as result of the internals installation. With the purpose of obtaining comparable inventory in the secondary reactor with and without rings, a device for adjustment of total inventory was designed and installed. Effects of the aperture ratio, number of rings, fluidization velocity, and particles circulation rate were studied. The results obtained approach a guideline for the detailed design of similar configurations. © 2013 American Institute of Chemical Engineers AIChE J, 59: 3612–3623, 2013
Alkane Oxidation by an Immobilized Nickel Complex Catalyst: Structural and Reactivity Differences Induced by Surface‐Ligand Density on Mesoporous Silica
Authors: Nakazawa Jun , Hori Tomoaki , Stack T. Daniel P. , Hikichi Shiro
Published: April 2013

Immobilized nickel catalysts SBA*‐L‐x/Ni (L=bis(2‐pyridylmethyl)(1H‐1,2,3‐triazol‐4‐ylmethyl)amine) with various ligand densities (L content (x)=0.5, 1, 2, 4 mol % Si) have been prepared from azidopropyl‐functionalized mesoporous silicas SBA‐N3‐x. Related homogeneous ligand LtBu and its NiII complexes, [Ni(LtBu)(OAc)2(H2O)] (LtBu/Ni) and [Ni(LtBu)2]BF4 (2 LtBu/Ni), have been synthesized. The L/Ni ratio (0.9–1.7:1) in SBA*‐L‐x/Ni suggests the formation of an inert [NiL2] site on the surface at higher ligand loadings. SBA*‐L‐x/Ni has been applied to the catalytic oxidation of cyclohexane with m‐chloroperbenzoic acid (mCPBA). The catalyst with the lowest loading shows high activity in its initial use as the homogeneous LtBu/Ni catalyst, with some metal leaching. As the ligand loading increases, the activity and Ni leaching are suppressed. The importance of site‐density control for the development of immobilized catalysts has been demonstrated.
Regulatory status on the role of in vitro dissolution testing in quality control and biopharmaceutics in Europe
Authors: Limberg Jobst , Potthast Henrike
Published: April 2013

An overview is provided regarding the different use of in vitro dissolution and particular related regulatory aspects. The overview attempts to clarify the regulatory requirements in all contexts in which in vitro dissolution data are employed. The different areas comprise the development of new and generic products as well as bioequivalence between different formulations. In vitro dissolution is no longer one issue among others in terms of specifications and batch release only, but is aimed to be a relevant tool for describing biopharmaceutic product characteristics for different purposes in the regulatory environment. Accordingly, the extent of the experiments will depend on the purpose of the in vitro dissolution data. Copyright © 2013 John Wiley & Sons, Ltd.
Dissociation Between Severity of Takotsubo Cardiomyopathy and Presentation With Shock or Hypotension
Authors: Chong Cher‐Rin , Neil Christopher J. , Nguyen Thanh H. , Stansborough Jeanette , Law Gin Way , Singh Kuljit , Horowitz John D.
Published: April 2013

Background

Takotsubo cardiomyopathy (TTC) is increasingly well‐recognized as a cause of chest‐pain syndromes, especially in aging females. The most common complications of TTC occur in the first 24 hours post onset of symptoms and include shock and/or arrhythmias.

Hypothesis

We tested the hypothesis that the severity of early hypotension in TTC reflects the extent of myocardial involvement and dysfunction.

Methods

In 80 consecutive TTC patients, correlates of blood pressure on the day of admission were sought via univariate followed by multivariate analysis.

Results

Mean systolic blood pressure (SBP) on day 1 was 120 ± 24 (SD) mm Hg. During the first 3 days of admission, 39% of patients had SBP <90 mm Hg, and 9% died and/or required intra‐aortic balloon pump insertion. The extent of release of N‐terminal pro‐brain natriuretic peptide, with its potential correlate of associated vasodilator activity, varied inversely with pulmonary‐artery saturation, a measure of cardiac output. However, there was no significant relationship between normetanephrine release and SBP. On multivariate analyses there was no significant relationship between SBP and (1) wall‐motion score index (as an index of left‐ventricular systolic dysfunction) or (2) T2 enhancement on cardiac magnetic resonance imaging and peak N‐terminal pro‐brain natriuretic peptide (as indices of myocardial inflammation).

Conclusions

Although severe hypotension and shock occur commonly during acute stages of TTC, these complications are multifactorial in origin, probably representing a combination of impaired inotropic state and vasodilatation. Importantly, initial hypotension does not imply severe left ventricular inflammation or systolic dysfunction.
The Influence of Organic‐Film Morphology on the Efficient Electron Transfer at Passivated Polymer‐Modified Electrodes to which Nanoparticles are Attached
Authors: Barfidokht Abbas , Ciampi Simone , Luais Erwann , Darwish Nadim , Gooding J. Justin
Published: April 2013

The impact of polymer‐film morphology on the electron‐transfer process at electrode/organic insulator/nanomaterial architectures is studied. The experimental data are discussed in the context of the most recent theory modelling the nanoparticle‐mediated electron‐transfer process at electrode/insulator/nanomaterial architectures proposed by Chazalviel and Allongue [J. Am. Chem. Soc. 2011, 133, 762–764]. A previous report [Anal. Chem. 2013, 85, 1073–1080] by us qualitatively verified the theory and demonstrates a transition from thickness‐independent to thickness‐dependent electron transfer as the layer thickness exceeds a certain threshold. This follow‐up study explores a different polymer, poly(phenylenediamine), and focuses on the effect of the uniformity of organic film on electron transfer at these hybrid structures. Electron‐transfer kinetics of modified surfaces, which were assessed using the redox species Ru(NH3)63+ in aqueous solution, showed that a thickness‐dependent electron‐transfer regime is achieved with poly(phenylenediamine). This is attributed to the sufficiently thin films never being fabricated with this polymer. Rather, it is suggested that thin poly(phenylenediamine) layers have a globular structure with poor film homogeneity and pinhole defects.
Berechnung eines Gebäudes nach den Eurocodes – praktischer Ablauf der Integration von Mauerwerksbauteilen nach dem 01.07.2012
Authors: Jäger Wolfram
Published: April 2013

Zum 01.07.2012 erfolgte die allgemeine Umstellung der Berechnung und Bemessung von Gebäuden und baulichen Anlagen auf die Eurocodes. Ausnahmen dabei bilden Gebäude oder Bauteile aus Mauerwerk sowie der Erdbebennachweis.

Um eine durchgängige Abarbeitung von Projekten nach den Eurocodes und dem damit verbundenen Teilsicherheitskonzept zu ermöglichen, ist eine Gleichwertigkeitserklärung der Bauaufsicht zum Eurocode 6 veröffentlicht worden, der im Weiteren Hinweise des Deutschen Instituts für Bautechnik (DIBt) folgten, wie mit noch nicht umgestellten Zulassungen umzugehen ist.

Anhand eines Anwendungsfalles wird die praktische Handhabung der Gleichwertigkeitserklärung für den EC 6 demonstriert und erläutert. Das Beispielgebäude wurde einschließlich der Mauerwerkswände nach Eurocode berechnet. Für die Außenwände sollen im Zuge der Ausführung Steine eingesetzt werden, deren allgemeine bauaufsichtliche Zulassung noch nicht auf den Eurocode 6 umgestellt worden ist. Der Beitrag bringt zusammenfassend die notwendigen Informationen und gibt eine Hilfestellung, damit auch in der Übergangszeit bis zur endgültigen bauaufsichtlichen Einführung des EC 6 dieser sicher angewendet werden kann.

Calculation of a building according to Eurocodes – practical process of the integration of masonry elements after 1 July 2012. The implementation of the Eurocodes for design of construction works took place in Germany 1st July 2012. However, there are the two exceptions buildings or building elements made of masonry and the design of structures for earthquake resistance.

A declaration of equivalence published by the building authority was necessary to enable a continuous design of an entire project. Following this, further hints how to deal with technical approvals which have not yet been transformed to Eurocode 6 were given by the DIBt.

Hereafter the practical handling of the declaration of equivalence for the Eurocode 6 is demonstrated and explained. The exemplary building including the masonry walls was completely designed according to Eurocodes. For the exterior walls it is planned to use units with a technical approval which has not yet been changed to Eurocode 6. The paper summarises the necessary information and gives guidance to use the Eurocode 6 until its introduction through the German national building authority in a safe way.
Funktionsweise der Ziegelwand‐Temperierung
Authors: Lehmden Alexander
Published: April 2013

Mehr als 90 % unserer Lebenszeit verbringen wir in geschlossenen Räumen. Es ist daher für unser Wohlbefinden wichtig, das Raumklima ideal auf die Bedürfnisse der Bewohner abzustimmen. Die Qualität des Raumklimas ist vor allem von der Raumlufttemperatur, der Oberflächentemperatur der umschließenden Bauteile und der Luftfeuchtigkeit abhängig. Um sich in Räumen wohl zu fühlen und leistungsfähig zu sein, müssen diese drei Parameter aufeinander abgestimmt sein. Seit jeher ist der Ziegel dafür bekannt, dass er durch sein hohes Wärmespeichervermögen das Innenraumklima reguliert. Temperaturspitzen im Sommer und Winter werden durch die Ziegelmasse ausgeglichen, im Winter sorgen diffusionsoffene Putze und der Ziegel für eine angenehme Luftfeuchtigkeit. Durch eine Innovation von Wienerberger, die Ziegelwand‐Temperierung, können nun diese positiven Eigenschaften gesteuert und verstärkt werden. Ähnlich einer Fußbodenheizung wird durch ein innenliegendes Rohrsystem die Ziegelwand thermisch aktiviert und so zum “Heizkörper“. Durch die Anhebung der Oberflächentemperatur kann die Raumlufttemperatur ohne Komfortverlust abgesenkt und dadurch die Heizkosten um bis zu 25 % reduziert werden. Außerdem erhöht sich durch die Absenkung der Raumtemperatur auch die relative Luftfeuchtigkeit. Vor allem im Winter gehören damit zu trockene Räume der Vergangenheit an. Zusammenfassend schafft die Ziegelwand‐Temperierung sowohl thermische als auch hygrische Behaglichkeit bei geringerem Energieeinsatz. Die technische und bauphysikalische Funktionsweise wird im nachfolgenden Beitrag beschrieben.

Wall‐temperation – More comfort though activated brickwalls. More than 90 % of our lifetime we spend inside buildings. Therefore it is very important to create an ambient indoor climate in buildings. Quality of indoor climate mainly depends on air temperature, average surface temperature and humidity. These three parameters interact and should be optimized to assure comfort and productivity of people. Especially bricks are known to influence indoor climate positively. In summer and winter due to high thermal mass overheating and cooling is avoided. Due to plaster and clay blocks humidity is regulated.

A new innovation of Wienerberger, the wall‐temperation, strengthen and controls these positive properties. Heated or cooled Pipes in the middle of clay blocks activate the thermal mass and increase or decrease surface temperature of walls. Thus room temperature could be decreased without loss of comfort in winter. As a result energy demand for heating can be cut by 25 %. Lower air temperatures also indicate higher humidity and more comfort. The risk of dry air in winter is reduced to a minimum. Summing up Wienerberger wall temperation creates a healthy indoor climate and helps to save energy and money.
Eco‐evolutionary responses of Bromus tectorum to climate change: implications for biological invasions
Authors: Zelikova Tamara J. , Hufbauer Ruth A. , Reed Sasha C. , Wertin Timothy , Fettig Christa , Belnap Jayne
Published: April 2013

Abstract

How plant populations, communities, and ecosystems respond to climate change is a critical focus in ecology today. The responses of introduced species may be especially rapid. Current models that incorporate temperature and precipitation suggest that future Bromus tectorum invasion risk is low for the Colorado Plateau. With a field warming experiment at two sites in southeastern Utah, we tested this prediction over 4 years, measuring B. tectorum phenology, biomass, and reproduction. In a complimentary greenhouse study, we assessed whether changes in field B. tectorum biomass and reproductive output influence offspring performance. We found that following a wet winter and early spring, the timing of spring growth initiation, flowering, and summer senescence all advanced in warmed plots at both field sites and the shift in phenology was progressively larger with greater warming. Earlier green‐up and development was associated with increases in B. tectorum biomass and reproductive output, likely due early spring growth, when soil moisture was not limiting, and a lengthened growing season. Seeds collected from plants grown in warmed plots had higher biomass and germination rates and lower mortality than seeds from ambient plots. However, in the following two dry years, we observed no differences in phenology between warmed and ambient plots. In addition, warming had a generally negative effect on B. tectorum biomass and reproduction in dry years and this negative effect was significant in the plots that received the highest warming treatment. In contrast to models that predict negative responses of B. tectorum to warmer climate on the Colorado Plateau, the effects of warming were more nuanced, relied on background climate, and differed between the two field sites. Our results highlight the importance of considering the interacting effects of temperature, precipitation, and site‐specific characteristics such as soil texture, on plant demography and have direct implications for B. tectorum invasion dynamics on the Colorado Plateau.
Synthesis of Monoclinic Li[Li0.2Mn0.54Ni0.13Co0.13]O2 Nanoparticles by a Layered‐Template Route for High‐Performance Li‐Ion Batteries
Authors: Qiu Shen , Chen Zhongxue , Pei Feng , Wu Fayuan , Wu Yue , Ai Xinping , Yang Hanxi , Cao Yuliang
Published: April 2013

Nanocrystalline Li[Li0.2Mn0.54Ni0.13Co0.13]O2 was prepared by a layered‐template method and was tested as a high‐capacity and high‐power cathode for Li‐ion batteries. Structural characterization demonstrates that the Li[Li0.2Mn0.54Ni0.13Co0.13]O2 nanoparticles have a high crystallinity with a monoclinic (C/2m) structure. This material exhibits an initial discharge capacity of 277.4 mAh g–1 and a high coulombic efficiency of 87.3 %, with a very small capacity fade of 0.046 % per cycle over 100 cycles. Such excellent electrochemical performance is likely to result from its monoclinic structure that enables a stable solid solution structure and reversible structural changes during cycling. Therefore, monoclinic Li[Li0.2Mn0.54Ni0.13Co0.13]O2 may meet the high‐capacity and high‐rate requirements for an alternative cathode for a new generation of Li‐ion batteries.
Protective effect and mechanism of phosphatidylserine in UVB‐induced human dermal fibroblasts
Authors: Lee Sang‐Hoon , Yang Ji‐Hee , Park Yong‐Kon , Han Jeong‐Jun , Chung Guk‐Hoon , Hahm Dae‐Hyun , Choi Hee‐Don
Published: April 2013

Phosphatidylserine (PS), a highly enriched membrane phospholipid component, is known to have several physiological roles, such as activating signaling enzymes and antioxidant activity. However, the protective biological mechanisms of PS in human skin have not been clearly investigated. In this study, we investigated the anti‐photoaging effects of PS and its possible mechanisms in UVB‐induced human dermal fibroblasts (HDFs). After 24 h incubation, PS significantly increased type I procollagen synthesis with or without UVB exposure. The expressions of MMP‐1 and pro‐MMP‐1 were inhibited, and activities of total MMPs were decreased in a dose‐dependent manner by treatment of PS in UVB‐induced HDFs. The MAPKs/AP‐1 signaling pathway was downregulated by PS in a dose‐dependent manner. PS increases procollagen synthesis and inhibits MMP‐1 expression and activity by downregulating MAPKS/AP‐1 signaling pathways. This study suggests that PS can be used as a therapeutic agent to prevent UVB‐induced skin photoaging and perhaps even natural skin aging.

Practical applications: In this study, we evaluated the protective effects and mechanism of PS on UV induced photoaging in human dermal fibroplasts. PS increases type I procollagen synthesis and decreases MMP‐1 activity by downregulating the MAPK/AP‐1 signaling pathway in UVB‐induced HDFs. These results suggest that PS can be used as a therapeutic agent for the treatment and prevention of photoaging and possibly even natural aging in human skin. For medicinal and cosmetic application, further studies on in vivo clinical applications are necessary to fully elucidate the function and mechanism of PS on human skin photoaging.
Antioxidant effect of mono‐ and dihydroxyphenols in sunflower oil with different levels of naturally present tocopherols
Authors: Hrádková Iveta , Merkl Roman , Šmidrkal Jan , Kyselka Jan , Filip Vladimír
Published: April 2013

Antioxidant properties of mono‐ and dihydroxyphenolic acids and their alkyl esters were examined, with emphasis on the relationship between their molecular structure and antioxidant activity. Test media with different tocopherol level were used for determining the oxidative stability: original refined sunflower oil (total tocopherols 149.0 mg/kg), partially tocopherol‐stripped sunflower oil (total tocopherols 8.7 mg/kg) and distilled fatty acid methyl esters (FAME) as a tocopherol‐free medium. The chemical reaction of tocopherols with diazomethane tested for the purpose to eliminate their antioxidant activity failed due to the negligible degree of methylation of hydroxyl group in the tocopherol molecule. Caffeic acid and protocatechuic acid (3,4‐dihydroxyphenolic acids) and their alkyl esters were found to be more active antioxidants than monohydroxyphenolic acid (p‐hydroxybenzoic acid), 2,5‐dihydroxyphenolic acid (gentisic acid), 3‐methoxy‐4‐hydroxyphenolic acids (vanillic and ferulic acids) and their corresponding alkyl esters. Naturally present tocopherols in refined sunflower oil proved to have a synergistic effect on gentisic acid but not on its alkyl esters. In contrast, tocopherols showed an antagonistic effect on alkyl esters of caffeic acid, because their protection factors decreased with increasing level of tocopherols in the test medium. Moreover, the antioxidant activity of these alkyl esters decreased with increasing length of their alkyl chain in conformity with the polar paradox hypothesis.

Practical applications: Tocopherols as naturally present antioxidants influence considerably the antioxidant activity of other antioxidants added to plant oils used as a test medium. Distilled fatty acid methyl esters prepared from refined sunflower oil may serve as an optimal tocopherol‐free test medium. Some alkyl esters of phenolic acids were evaluated to be applicable as natural more lipophilic antioxidants in comparison with phenolic acids.
Metabolomic analysis of key central carbon metabolism carboxylic acids as their 3‐nitrophenylhydrazones by UPLC/ESI‐MS
Authors: Han Jun , Gagnon Susannah , Eckle Tobias , Borchers Christoph H.
Published: April 2013

Multiple hydroxy‐, keto‐, di‐, and tri‐carboxylic acids are among the cellular metabolites of central carbon metabolism (CCM). Sensitive and reliable analysis of these carboxylates is important for many biological and cell engineering studies. In this work, we examined 3‐nitrophenylhydrazine as a derivatizing reagent and optimized the reaction conditions for the measurement of ten CCM‐related carboxylic compounds, including glycolate, lactate, malate, fumarate, succinate, citrate, isocitrate, pyruvate, oxaloacetate, and α‐ketoglutarate as their 3‐nitrophenylhydrazones using LC/MS with ESI. With the derivatization protocol which we have developed, and using negative‐ion multiple‐reaction monitoring on a triple‐quadrupole instrument, all of the carboxylates showed good linearity within a dynamic range of ca. 200 to more than 2000. The on‐column LODs and LOQs were from high femtomoles to low picomoles. The analytical accuracies for eight of the ten analytes were determined to be between 89.5 to 114.8% (CV≤7.4%, n = 6). Using a QTOF instrument, the isotopic distribution patterns of these carboxylates, extracted from a 13C‐labeled mouse heart, were successfully determined by UPLC/MS with full‐mass detection, indicating the possible utility of this analytical method for metabolic flux analysis. In summary, this work demonstrates an efficient chemical derivatization LC/MS method for metabolomic analysis of these key CCM intermediates in a biological matrix.
Innovative Leadership Development Fosters a Unified Global Culture at Adobe Systems Incorporated
Authors: Peratoner Carlo
Published: April 2013

Exponential growth over a short period of time—from 3,500 to more than 10,000 employees since 2005—required Adobe Systems Incorporated to take a proactive approach to leadership development. The management of the global digital marketing and digital media company decided to create programming that would integrate its expanding workforce into a cultural whole while developing exceptional leaders who would be able to help the company achieve its specific business goals. To that end, Adobe's leadership development team formed a collaboration that included faculty of two universities located near the company's headquarters and TRI Corporation, which designs and delivers state‐of‐the‐art executive development solutions. The resulting experience‐focused programs—Adobe Leadership Experience and Adobe Business Leadership—encourage participants to address on‐the‐job challenges and build relationships with colleagues around the world while developing valuable skills to ensure both personal and organizational success. © 2013 Wiley Periodicals, Inc.
An Innovative Perspective on Disability at ATF GAIA and ESAT Les Palmiers
Authors: Angelini Christine , Lombardo Evelyne , Pignatel Isabelle
Published: April 2013

Academic studies of the management of innovation have seldom, if ever, considered the contribution made by companies that specialize in the employment of people with disabilities. The experiences of two French organizations—ATF GAIA (a subsidiary of ATF) in Brest, France, and an ESAT (Etablissement et Service d'Aide par le Travail, a service to provide help through work), in Hyeres Les Palmiers, France—demonstrate that it is possible for such organizations to capture opportunities connected with the sustainability agenda and develop some singular kinds of innovation. Both success stories can inspire similar accomplishments in any company, regardless of the industry or composition of its workforce. © 2013 Wiley Periodicals, Inc.
Protective effect of grape by‐product‐fortified breads against cholesterol/cholic acid diet‐induced hypercholesterolaemia in rats
Authors: Mildner‐Szkudlarz Sylwia , Bajerska Joanna
Published: April 2013

Background

New breads fortified with two different forms of grape by‐products, namely dried powdered skins (PGP) and freeze‐dried extract therefrom (EGP), were characterised and their protective effect against hypercholesterolaemia in rats was studied.

Results

The phenolic compound profiles of supplemented breads were dominated by epicatechin and catechin together with appreciable amounts of dimeric procyanidins. Sensory evaluation of enhanced breads revealed that a maximum of 6% PGP or 1.4% EGP could be incorporated to prepare acceptable products. Intake of high‐cholesterol/cholic acid diet containing 6% PGP‐ or 1.4% EGP‐fortified bread increased fresh stool weight and significantly reduced protein and fat digestion but did not negatively affect animal growth. PGP‐ and EGP‐fortified breads diminished the negative impact of high‐cholesterol/cholic acid diet, lowering total cholesterol (TC), low‐density lipoprotein cholesterol (LDL‐C), lipid peroxidation, glucose and leptin levels, preventing visceral fat accumulation and increasing high‐density lipoprotein cholesterol and plasma ferric‐reducing antioxidant power levels. Since control bread feeding significantly lowered TC, LDL‐C and lipid peroxidation compared with high‐fat diet, it may suggested that not only grape by‐products but also another components in bread were related to lipid metabolism.

Conclusion

These results demonstrate that intake of both PGP‐ and EGP‐fortified sourdough mixed rye breads might contribute to a reduction of cardiovascular risk. © 2013 Society of Chemical Industry
Key points for maximum effectiveness and safety for cholesterol‐lowering properties of plant sterols and use in the treatment of metabolic syndrome
Authors: Rondanelli Mariangela , Monteferrario Francesca , Faliva Milena Anna , Perna Simone , Antoniello Neldo
Published: April 2013

According to the American Diabetes Association and the Adult Treatment Panel III, the starting point for treating metabolic syndrome (MS) is a change of lifestyle. In addition, action on the main symptoms of MS by means of dietary supplements, can be helpful in view of the chronic course of the disease. The term ‘phytosterols’ refers to sterols and stanols composed of lipophilic triterpenes, a family that is widely distributed in the plant kingdom and whose cholesterol‐lowering properties have been amply demonstrated. In the light of the recent literature, the key points for maximum effectiveness and safety of sterols are the following. (A) Plant sterols should be taken with meals: clinical trials have shown that when plant sterols are consumed close to mealtimes, low‐density lipoprotein cholesterol may decrease by 9.4%, while when they are taken between meals, the reduction is about 6%. (B) The optimal dosage is 2–2.5 g day−1 in a single dose. More than 3 g day−1 has not been found to have any additional beneficial effect and increases the risk of side effects. (C) The food matrix used to dissolve the phytosterols should contain a certain amount of fat. A milk‐based matrix appears optimal from this point of view. © 2013 Society of Chemical Industry
Maximising umami taste in meat using natural ingredients: effects on chemistry, sensory perception and hedonic liking in young and old consumers
Authors: Dermiki Maria , Mounayar Rana , Suwankanit Chutipapha , Scott Jennifer , Kennedy Orla B , Mottram Donald S , Gosney Margot A , Blumenthal Heston , Methven Lisa
Published: April 2013

BACKGROUND

Umami taste in foods is elicited predominantly by the presence of glutamic acid and 5′‐ribonucleotides, which act synergistically. This study aimed to use natural ingredients to maximise umami taste of a meat formulation and determine effects on liking of older consumers. Cooked meat products with added natural ingredients (yeast extract, mycoscent, shiitake extract, tomato puree, soy sauce and soybean paste) or monosodium glutamate (MSG) were prepared and compared with a control sample analytically (umami compounds), sensorially (sensory profile) and hedonically (liking by younger and older volunteers). Taste detection thresholds of sodium chloride and MSG of volunteers were collected.

RESULTS

Four of the seven cooked meat products developed had a significantly higher content of umami‐contributing compounds compared with the control. All products, except those containing MSG or tomato puree, were scored (by trained sensory panel) perceptually significantly higher in umami and/or salty taste compared with the control. Consumer tests showed a correlation of liking by the older cohort with perceived saltiness (ρ = 0.76).

CONCLUSION

The addition of natural umami‐containing ingredients during the cooking of meat can provide enhanced umami and salty taste characteristics. This can lead to increased liking by some consumers, particularly those with raised taste detection thresholds. © 2013 Society of Chemical Industry
Synthetic adipic complex tetraesters as eco‐friendly lubricants
Authors: Mirci Liviu E. , Pătrut Alina
Published: April 2013

The paper presents results concerning the synthesis and characterisation as lubricants with biodegradability potential of some complex tetraesters realised on the basis of adipic acid and different glycols such as (mono) ethylene, 1,3‐propylene, 1,4‐butylene, 1,5‐pentamethylene, 1,6‐hexamethylene, diethylene and triethylene glycol, respectively, along with oleic acid used, considered as an end, final segment or as a capping element. On the basis of a regular alternation or successive distribution principle of the polar and nonpolar chemical functions equally distributed, shared out on the length of a sufficient, satisfactorily long, large molecule, valuable synthetic complex tetraester lubricants considered as eco‐friendly base oils with biodegradability potential were performed. These products showed very good tribological properties, such as high viscosity indices and high flash points, and also very good lubricity features. Copyright © 2013 John Wiley & Sons, Ltd.
Promyelocytic leukaemia protein links DNA damage response and repair to hepatitis B virus‐related hepatocarcinogenesis
Authors: Chung Yih‐Lin , Wu Mei‐Ling
Published: April 2013

DNA damage response and repair pathways are important barriers to carcinogenesis. Here, we show that promyelocytic leukaemia (PML, also known as TRIM19), involved in sensing DNA damage and executing homologous recombination repair, is down‐regulated in non‐tumour liver cells surrounding hepatitis B virus (HBV)‐related hepatocellular carcinoma (HCC). No PML mutation or deletion was found in HBV‐infected liver or HCC cells. Immunohistochemical analysis of liver biopsies from patients with breast or liver cancer and HBV reactivation after chemotherapy revealed PML up‐regulation and HBV exacerbation in normal liver tissue in response to DNA damage (functional PML), PML down‐regulation in HCC peritumour cells associated with high HBsAg accumulation and low HBV replication activity (suppressive PML), and heterogeneous nuclear PML expression in HCC cells that lost HBV DNA and HBsAg and were non‐reactive to DNA damage (dysregulated PML). Loss of PML in HBsAg‐transgenic mice promoted chromosome breaks in liver cells and accelerated the accumulation of body and liver fat and the development of a liver steatosis–dysplasia–adenoma–carcinoma sequence in an inflammation‐independent and male‐predominant manner, compared to PML knock‐out or HBsAg‐transgenic mice during the same time period. These results indicate that PML deficiency facilitates genomic instability and promotes HBsAg‐related hepatocarcinogenesis, which also involves androgen and lipid metabolism. These findings uncover a novel PML link between HBV‐related tumourigenesis, DNA repair, and metabolism. Copyright © 2013 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Characterisation of Homoflavonoids from Three Ophioglossum Species Using Liquid Chromatography with Diode Array Detection and Electrospray Ionisation Tandem Mass Spectrometry
Authors: Wan Chuan‐Xing , Luo Jian‐Guang , Gu Yu‐Cheng , Xu De‐Ran , Kong Ling‐Yi
Published: April 2013

Introduction

Homoflavonoids, characterised by one more carbon atom directly added to C6–C3–C6 backbone of flavonoids, are rich in the species of genus Ophioglossum. Up to now we have little knowledge about their MS fragmentation patterns. It is therefore necessary to investigate their MS fragmentation pathways so as to distinguish them from other types of flavonoids.

Objective

To develop a rapid method for identifying homoflavonoids from Ophioglossum based on their characteristic MS fragmentation.

Methods

Mass spectrometry fragmentation pathways and qualitative analysis of homoflavonoids in three ferns of Ophioglosssum were investigated by using high‐performance liquid chromatography coupled with diode‐array detection and electrospray ionisation tandem mass spectrometry (HPLC–DAD–ESI/MSn).

Results

The analyses of the MSn spectra of the homoflavonoids allowed us to classify them into two types according to their fragmentation characteristics. The type I homoflavonoids, with an attached additional carbon atom to the C‐3 position of the C‐ring, presented the initial competing loss of H2O and CH2O from their aglycone ions, compared to the initial removal of H2O or CO in the case of the type II homoflavonoids, which bear the additional carbon atom at the C‐2’ site of the B‐ring and forming ring D. The above characteristic fragmentations of homoflavonoids were quite different from those of other flavonoids, and were successfully applied to identify homoflavonoids in the crude extracts of three Ophioglossum species.

Conclusion

The HPLC–DAD–ESI/MSn method obtained in the present study provided a powerful tool for identifying homoflavonoids from ferns in the genus Ophioglossum. Copyright © 2013 John Wiley & Sons, Ltd.
Intrinsically conducting polymer‐based fabric strain sensors
Authors: Ma Sude , Wang Yan , Min Zhonghua , Zhong Lisheng
Published: April 2013

Fabric strain sensors based on intrinsically conducting polymers (ICPs) have been extensively studied recently owing to their ease of preparation, unique properties and many potential applications. Research on ICP‐based fabric strain sensors, including fabrication, performance and applications of the sensors, is summarized and reviewed in this paper. The conductivity and morphology of ICP‐coated fabrics can be easily adjusted by controlling the synthesis conditions, leading to sensors with varied performances. Moreover, the performances of the sensors can be controlled by various other choices, such as selecting the right fabric substrates, the appropriate stretching directions, etc., giving these sensors many potential applications. © 2013 Society of Chemical Industry
What is the best reference state for designing statistical atomic potentials in protein structure prediction?
Authors: Deng Haiyou , Jia Ya , Wei Yanyu , Zhang Yang
Published: April 2013

Many statistical potentials were developed in last two decades for protein folding and protein structure recognition. The major difference of these potentials is on the selection of reference states to offset sampling bias. However, since these potentials used different databases and parameter cutoffs, it is difficult to judge what the best reference states are by examining the original programs. In this study, we aim to address this issue and evaluate the reference states by a unified database and programming environment. We constructed distance‐specific atomic potentials using six widely‐used reference states based on 1022 high‐resolution protein structures, which are applied to rank modeling in six sets of structure decoys. The reference state on random‐walk chain outperforms others in three decoy sets while those using ideal‐gas, quasi‐chemical approximation and averaging sample stand out in one set separately. Nevertheless, the performance of the potentials relies on the origin of decoy generations and no reference state can clearly outperform others in all decoy sets. Further analysis reveals that the statistical potentials have a contradiction between the universality and pertinence, and optimal reference states should be extracted based on specific application environments and decoy spaces. Proteins 2012; © 2012 Wiley Periodicals, Inc.
Photoinduced fibrils formation of chicken egg white lysozyme under native conditions
Authors: Xie Jin‐Bing , Cao Yi , Pan Hai , Qin Meng , Yan Zhi‐Qiang , Xiong Xiang , Wang Wei
Published: April 2013

Recent findings showed that transiently accessing structurally native‐like yet energetically higher conformational states is sufficient to trigger the formation of protein fibrils. Typically, these conformational states are made available through changing solvent conditions or introducing mutations. Here we show a novel way to initialize fibril formation for Chicken egg white lysozyme (CEWL) under native conditions via controlled UV illumination. Through a cassette of tryptophan‐based photochemistry, the two terminal disulfide bonds in CEWL can be selectively reduced. The reduced CEWL is then converted to conformational states with the C‐terminal fragment floppy upon thermal fluctuation. These states serve as precursors for the fibrillar aggregation. Intriguingly, the CEWL fibrils are stabilized by intermolecular disulfide bonds instead of noncovalent β‐sheet structures, distinct from the amyloid‐like lysozyme fibrils reported before. Based on the experimental evidences and all‐atom molecular dynamics simulation, we proposed a “runaway domain‐swapping” model for the structure of the CEWL fibrils, in which each CEWL molecule swaps the C‐terminal fragment into the complementary position of the adjacent molecule along the fibrils. We anticipate that this fibrillation mechanism can be extended to many other disulfide‐containing proteins. Our study stands for the first example of formation of protein fibrils under native conditions upon UV illumination and poses the potential danger of low UV dose to organisms at the protein level. Proteins 2012. © 2012 Wiley Periodicals, Inc.
Design of human granzyme B variants resistant to serpin B9
Authors: Losasso Valeria , Schiffer Sonja , Barth Stefan , Carloni Paolo
Published: April 2013

Human granzyme B (hGB) is a serine protease involved in immune‐mediated apoptosis. Its cytotoxicity makes it potentially applicable in cancer therapy. However, the effectiveness of hGB can be hampered by the cytosolic expression of a natural protein inhibitor, human Serpin B9 (hSB9). Here, we used computational approaches to identify hGB mutations that can affect its binding to hSB9 without significantly decreasing its catalytic efficiency. Alanine‐scanning calculations allowed us to identify residues of hGB important for the interaction with hSB9. Some variants were selected, and molecular dynamic simulations on the mutated hGB in complex with hSB9 in aqueous solution were carried out to investigate the effect of these variants on the stability of the complex. The R28K, R201A, and R201K mutants significantly destabilized the interaction of the protein with hSB9. Consistently, all of these variants also retained their activity in the presence of the Serpin B9 inhibitor in subsequent in vitro assays of wild‐type and mutated hGB. In particular, the activity of R201K hGB with and without Serpin B9 is very similar to that of the wild‐type protein. Hence, R201K hGB emerges as a promising species for antitumoral therapy applications. Proteins 2012. © 2012 Wiley Periodicals, Inc.
Solution structure of FK506‐binding protein 12 from Aedes aegypti
Authors: Chakraborty Goutam , Shin Joon , Nguyen Quoc Toan , Harikishore Amaravadhi , Baek Kwanghee , Yoon Ho Sup
Published: April 2013

Dengue remains one of the major public concerns as the virus eludes the immune response. Currently, no vaccines or antiviral therapeutics are available for dengue prevention or treatment. Immunosuppressive drug FK506 shows an antimalarial activity, and its molecular target, FK506‐binding protein (FKBP), was identified in human Plasmodium parasites. Likewise, a conserved FKBP family protein has also been identified in Aedes aegypti (AaFKBP12), which is expected to play a similar role in the life cycle of Aedes aegypti, the primary vector of dengue virus infection. As FKBPs belong to a highly conserved class of immunophilin family and are involved in key biological regulations, they are considered as attractive pharmacological targets. In this study, we have determined the nuclear magnetic resonance solution structure of AaFKBP12, a novel FKBP member from Aedes aegypti, and presented its structural features, which may facilitate the design of potential inhibitory ligands against the dengue‐transmitting mosquitoes. Proteins 2012;. © 2012 Wiley Periodicals, Inc.
Predicting Ca2+‐binding sites using refined carbon clusters
Authors: Zhao Kun , Wang Xue , Wong Hing C. , Wohlhueter Robert , Kirberger Michael P. , Chen Guantao , Yang Jenny J.
Published: April 2013

Identifying Ca2+‐binding sites in proteins is the first step toward understanding the molecular basis of diseases related to Ca2+‐binding proteins. Currently, these sites are identified in structures either through X‐ray crystallography or NMR analysis. However, Ca2+‐binding sites are not always visible in X‐ray structures due to flexibility in the binding region or low occupancy in a Ca2+‐binding site. Similarly, both Ca2+ and its ligand oxygens are not directly observed in NMR structures. To improve our ability to predict Ca2+‐binding sites in both X‐ray and NMR structures, we report a new graph theory algorithm (MUGC) to predict Ca2+‐binding sites. Using carbon atoms covalently bonded to the chelating oxygen atoms, and without explicit reference to side‐chain oxygen ligand co‐ordinates, MUGC is able to achieve 94% sensitivity with 76% selectivity on a dataset of X‐ray structures composed of 43 Ca2+‐binding proteins. Additionally, prediction of Ca2+‐binding sites in NMR structures was obtained by MUGC using a different set of parameters, which were determined by the analysis of both Ca2+‐constrained and unconstrained Ca2+‐loaded structures derived from NMR data. MUGC identified 20 of 21 Ca2+‐binding sites in NMR structures inferred without the use of Ca2+ constraints. MUGC predictions are also highly selective for Ca2+‐binding sites as analyses of binding sites for Mg2+, Zn2+, and Pb2+ were not identified as Ca2+‐binding sites. These results indicate that the geometric arrangement of the second‐shell carbon cluster is sufficient not only for accurate identification of Ca2+‐binding sites in NMR and X‐ray structures but also for selective differentiation between Ca2+ and other relevant divalent cations. © Proteins 2012. © 2012 Wiley Periodicals, Inc.
Nucleation‐based prediction of the protein folding rate and its correlation with the folding nucleus size
Authors: Galzitskaya Oxana V. , Glyakina Anna V.
Published: April 2013

The problem of protein self‐organization is in the focus of current molecular biology studies. Although the general principles are understood, many details remain unclear. Specifically, protein folding rates are of interest because they dictate the rate of protein aggregation which underlies many human diseases. Here we offer predictions of protein folding rates and their correlation with folding nucleus sizes. We calculated free energies of the transition state and sizes of folding nuclei for 84 proteins and peptides whose other parameters were measured at the point of thermodynamic equilibrium between their unfolded and native states. We used the dynamic programming method where each residue was considered to be either as folded as in its native state or completely disordered. The calculated and measured folding rates showed a good correlation at the temperature mid‐transition point (the correlation coefficient was 0.75). Also, we pioneered in demonstrating a moderate (‐0.57) correlation coefficient between the calculated sizes of folding nuclei and the folding rates. Predictions made by different methods were compared. The established good correlation between the estimated free energy barrier and the experimentally found folding rate of each studied protein/peptide indicates that our model gives reliable results for the considered data set. Proteins 2012; © 2012 Wiley Periodicals, Inc.
In silico structure–function analysis of E. cloacae nitroreductase
Authors: Isayev Olexandr , Crespo‐Hernández Carlos E. , Gorb Leonid , Hill Frances C. , Leszczynski Jerzy
Published: April 2013

Reduction, catalyzed by the bacterial nitroreductases, is the quintessential first step in the biodegradation of a variety of nitroaromatic compounds from contaminated waters and soil. The Enterobacter cloacae nitroreductase (EcNR) enzyme is considered as a prospective biotechnological tool for bioremediation of hazardous nitroaromatic compounds. Using diverse computational methods, we obtain insights into the structural basis of activity and mechanism of its function. We have performed molecular dynamics simulation of EcNR in three different states (free EcNR in oxidized form, fully reduced EcNR with benzoate inhibitor and fully reduced EcNR with nitrobenzene) in explicit solvent and with full electrostatics. Principal Component Analysis (PCA) of the variance‐covariance matrix showed that the complexed nitroreductase becomes more flexible overall upon complexation, particularly helix H6, in the vicinity of the binding site. A multiple sequence alignment was also constructed in order to examine positional constraints on substitution in EcNR. Five regions which are highly conserved within the flavin mononucleotide (FMN) binding site were identified. Obtained results and their implications for EcNR functioning are discussed, and new plausible mechanism has been proposed. Proteins 2012; © 2012 Wiley Periodicals, Inc.