bluuebunny/crossref_metadata_2025_split huggingface dataset:
Factors Limiting Device Efficiency in Organic Photovoltaics
Authors: Janssen René A. J. , Nelson Jenny 
Published: December 2012

AbstractThe power conversion efficiency of the most efficient organic photovoltaic (OPV) cells has recently increased to over 10%. To enable further increases, the factors limiting the device efficiency in OPV must be identified. In this review, the operational mechanism of OPV cells is explained and the detailed balance limit to photovoltaic energy conversion, as developed by Shockley and Queisser, is outlined. The various approaches that have been developed to estimate the maximum practically achievable efficiency in OPV are then discussed, based on empirical knowledge of organic semiconductor materials. Subsequently, approaches made to adapt the detailed balance theory to incorporate some of the fundamentally different processes in organic solar cells that originate from using a combination of two complementary, donor and acceptor, organic semiconductors using thermodynamic and kinetic approaches are described. The more empirical formulations to the efficiency limits provide estimates of 10–12%, but the more fundamental descriptions suggest limits of 20–24% to be reachable in single junctions, similar to the highest efficiencies obtained for crystalline silicon p‐n junction solar cells. Closing this gap sets the stage for future materials research and development of OPV.
Efficiency of Nitrogen Desorption from LiX Zeolite by Rapid Oxygen Purge in a Pancake Adsorber
Authors: Chai Siew Wah , Kothare Mayuresh V. , Sircar Shivaji 
Published: December 2012

SignificanceA nonequilibrium, nonisothermal, nonisobaric model was used for numerical simulation of the efficiency of N2 desorption from a LiX zeolite column by rapid purge with O2 in a pancake adsorber. The key parameters included desorption time, adsorbent particle size, and the adsorber length to diameter ratio. The efficiency was found to be a complex function of these variables.
Integrating pelagic and coastal MPAs into large‐scale ecosystem‐wide management
Authors: Guidetti P. , Notarbartolo‐Di‐Sciara G. , Agardy T. 
Published: December 2012

ABSTRACT

Marine Protected Areas (MPAs) have gained increasing popularity worldwide as tools for biodiversity conservation and management of human uses. This rise in popularity has been accompanied by an increasing body of scientific papers and books on MPA design and management, the vast majority of which are almost completely focused on coastal or insular MPAs.
A small number of MPAs have also been established in the pelagic domain, however, these pelagic sites have been considered in isolation from coastal/insular MPAs, even when the sites are adjacent or nearby. Pelagic and coastal ecosystems are not at all isolated from each other, but interconnected both physically via the flow of water, and biologically, via the movement of organisms.
In order to maximize the effectiveness of MPAs, it is suggested that spatial management planning encompass large areas that span both coastal and pelagic domains. This requires integrated, large‐scale spatial management, which may extend across borders and thus require international cooperation.Copyright © 2012 John Wiley & Sons, Ltd.
Migration of Resident Cardiac Stem Cells in Myocardial Infarction
Authors: Liang Simon X. , Phillips William D. 
Published: December 2012

AbstractIschemic heart disease is a major cause of morbidity and mortality worldwide. Stem cell‐based therapy, which aims to restore cardiac structure and function by regeneration of functional myocardium, has recently been proposed as a novel alternative treatment modality. Resident cardiac stem cells (CSCs) in adult hearts are a key cell type under investigation. CSCs have been shown to be able to repair damaged myocardium and improve myocardial function in both human and animal studies. This approach relies not only on the proliferation of the CSCs, but also upon their migration to the site of injury within the heart. Here, we briefly review reported CSC populations and discuss signaling factors and pathways required for the migration of CSCs. Anat Rec, 2013. © 2012 Wiley Periodicals, Inc.
Reaction of Aromatic Peroxyl Radicals with Alkynes: A Mass Spectrometric and Computational Study Using the Distonic Radical Ion Approach
Authors: Li Cong H. , Khairallah George N. , Lam Adrian K. Y. , O'Hair Richard A. J. , Kirk Benjamin B. , Blanksby Stephen J. , da Silva Gabriel , Wille Uta 
Published: December 2012

AbstractThe reaction of the aromatic distonic peroxyl radical cations N‐methyl pyridinium‐4‐peroxyl (PyrOO.+) and 4‐(N,N,N‐trimethyl ammonium)‐phenyl peroxyl (AnOO.+), with symmetrical dialkyl alkynes 10a–c was studied in the gas phase by mass spectrometry. PyrOO.+ and AnOO.+ were produced through reaction of the respective distonic aryl radical cations Pyr.+ and An.+ with oxygen, O2. For the reaction of Pyr.+ with O2 an absolute rate coefficient of k1=7.1×10−12 cm3 molecule−1 s−1 and a collision efficiency of 1.2 % was determined at 298 K. The strongly electrophilic PyrOO.+ reacts with 3‐hexyne and 4‐octyne with absolute rate coefficients of khexyne=1.5×10−10 cm3 molecule−1 s−1 and koctyne=2.8×10−10 cm3 molecule−1 s−1, respectively, at 298 K. The reaction of both PyrOO.+ and AnOO.+ proceeds by radical addition to the alkyne, whereas propargylic hydrogen abstraction was observed as a very minor pathway only in the reactions involving PyrOO.+. A major reaction pathway of the vinyl radicals 11 formed upon PyrOO.+ addition to the alkynes involves γ‐fragmentation of the peroxy OO bond and formation of PyrO.+. The PyrO.+ is rapidly trapped by intermolecular hydrogen abstraction, presumably from a propargylic methylene group in the alkyne. The reaction of the less electrophilic AnOO.+ with alkynes is considerably slower and resulted in formation of AnO.+ as the only charged product. These findings suggest that electrophilic aromatic peroxyl radicals act as oxygen atom donors, which can be used to generate α‐oxo carbenes 13 (or isomeric species) from alkynes in a single step. Besides γ‐fragmentation, a number of competing unimolecular dissociative reactions also occur in vinyl radicals 11. The potential energy diagrams of these reactions were explored with density functional theory and ab initio methods, which enabled identification of the chemical structures of the most important products.
Phage survival: The biodegradability of M13 phage display library in vitro
Authors: Tóthová L'ubomíra , Bábíčková Janka , Celec Peter 
Published: December 2012

AbstractAdministration of bacteriophages is used for phage therapy modulation of gut microbiome or for in vivo phage display. The aim of the study was to analyze the survival of M13 phage in different body fluids and tissues in vitro. The survival of M13 phage was measured in vitro in human blood, saliva, urine, artificial gastric juice (AGJ), and mouse homogenates of stomach, jejunum, and colon after defined time points (5, 15, or 45 Min). The plates were inspected after overnight incubation and the plaques were counted. No phage was recovered after 5 Min of incubation with AGJ. In urine, the phage survival was decreased by 44% after 5 Min of incubation (P = 0.004). In saliva, the recovered titer was decreased by 33% and 88% (P < 0.05) after 15 and 45 Min, respectively. Phage coincubation with jejunum homogenate led to significant decrease of phage titer by 72% (P < 0.01) after 15 Min and by 99% (P < 0.001) after 45 Min. Decreased survival of M13 phage depending on time of incubation was proved under several in vitro conditions, with low pH in the AGJ having the most detrimental effect on phage survival. Phage pharmacokinetics described in vitro might have applications for the use of bacteriophages in vivo.
Analyse AKR‐induzierter Schädigungsprozesse in Beton
Authors: Weise Frank , Voland Katja , Pirskawetz Stephan , Meinel Dietmar 
Published: December 2012

AbstractZur Beurteilung der Alkaliempfindlichkeit der Gesteinskörnung finden normativ der Betonversuch mit Nebelkammerlagerung bei 40 °C und alternativ der 60 °C‐Betonversuch Anwendung. Als Beurteilungskriterium für den Schädigungsprozess wird bei beiden Verfahren die an Betonprismen diskontinuierlich ermittelte Dehnung herangezogen. Auch bei den zusätzlich in der Nebelkammer gelagerten Würfeln beschränkt sich die Schadensanalyse auf eine diskontinuierliche Verfolgung der maximalen Breite der Oberflächenrisse.Im Rahmen des Beitrags wird eine neuartige, bereits erfolgreich erprobte zerstörungsfreie Prüfmethodik vorgestellt. Diese ermöglicht durch eine gleichzeitige kontinuierliche Dehnungs‐, Schallemissions‐ und Ultraschallmessung eine kontinuierliche Verfolgung der inneren Gefügeveränderungen in den Betonprüfkörpern während der AKR‐provozierenden Lagerung. Dabei wurden drei zeitlich aufeinanderfolgende Phasen der inneren Gefügeveränderung mit einer Dominanz von Hydratation, Rissbildung sowie vermutlicher Rissverfüllung mit Reaktionsprodukten identifiziert. Die ablaufenden Rissbildungsprozesse wurden zusätzlich mit diskontinuierlich durchgeführten röntgentomografischen Untersuchungen zeitlich und räumlich visualisiert. Die CT‐Befunde wurden durch mikroskopische Untersuchungen bestätigt.Analysis of ASR‐induced damage processes in concrete Application of innovative measurement techniquesThe alkali‐reactive potential of aggregates is assessed according to the German guidelines by two different test methods. These are the 40 °C fog chamber storage and as an alternative method the 60 °C concrete prism test. In both tests, the discontinuously measured expansion of ASR‐generating stored concrete prisms is used as criterion for the internal damage process. The damage analysis of the cubes additionally stored in the 40 °C fog chamber is also restricted to the discontinuous measurement of the crack width on the cubes surfaces.This paper describes an innovative, already successfully applied, non‐destructive measurement methodology. This methodology enables a continuous monitoring of the internal damage processes in ASR‐generating stored concrete specimens due to a continuous recording of expansion, acoustic emission and ultrasonic velocity. Thereby, three sequent phases of internal structural changes dominated by hydration, crack formation and filling of the cracks with ASR‐gel and/or other reaction products can be detected. The crack formation was temporally and spatially visualised by discontinuously applied X‐ray computed tomography measurements. Microscopic analyses confirm the findings of the X‐ray 3D‐CT.
Determination of sulpiride in pharmaceutical preparations and biological fluids using a Cr (III) enhanced chemiluminescence method
Authors: Khan Muhammad Naeem , Jan Muhammad Rasul , Shah Jasmin , Lee Sang Hak , Kim Young Ho 
Published: December 2012

ABSTRACTA highly sensitive and simple method for identifying sulpiride in pharmaceutical formulations and biological fluids is presented. The method is based on increased chemiluminescence (CL) intensity of a luminol–H2O2 system in response to the addition of Cr (III) under alkaline conditions. The CL intensity of the luminol–H2O2–Cr (III) system was greatly enhanced by the addition of sulpiride and the CL intensity was proportional to the concentration of sulpiride in a sample solution. Various parameters affecting the CL intensity were systematically investigated and optimized for determination of the sulpiride in a sample. Under the optimum conditions, the CL intensity was proportional to the concentration of sulpiride in the range of 0.068–4.0 µg/mL, with a good correlation coefficient of 0.997. The limit of detection (LOD) and limit of quantification (LOQ) were found to be 8.50 × 10‐6 µg/mL and 2.83 × 10‐5 µg/mL, respectively. The method presented here produced good reproducibility with a relative standard deviation (RSD) of 2.70% (n = 7). The effects of common excipients and metal ions were studied for their interference effect. The method was validated statistically through recovery studies and successfully applied for the determination of sulpiride in pure form, pharmaceutical preparations and spiked human plasma samples. The percentage recoveries were found to range from 99.10 to 100.05% for pure form, 98.12 to 100.18% for pharmaceutical preparations and 97.9 to 101.4% for spiked human plasma. Copyright © 2012 John Wiley & Sons, Ltd.
Redox‐enzymes, cells and micro‐organisms acting on carbon nanostructures transformation: A mini‐review
Authors: Seabra Amedea B. , Paula Amauri J. , Durán Nelson 
Published: December 2012

AbstractCarbon nanotubes, graphene and fullerenes are actual nanomaterials with many applications in different industrial areas, with increasing potentialities in the field of nanomedicine. Recently, different proactive approaches on toxicology and safety management have become the focus of intense interest once the industrial production of these materials had a significant growth in the last years, even though their short‐ and long‐term behaviors are not yet fully understood. The most important concerns involving these carbon‐based nanomaterials are their stability and potential effects of their life cycles on animals, humans, and environment. In this context, this mini review discuss the biodegradability of these materials, particularly through redox‐enzymes, micro‐organisms and cells, to contribute toward the design of biocompatible and biodegradable functionalized carbon nanostructures, in order to use these materials safely and with minimum impact on the environment. © 2012 American Institute of Chemical Engineers Biotechnol. Prog., 2013
Synthesis of 2′‐Deoxy‐1′‐homo‐N‐nucleosides with Anti‐Influenza Activity by Catalytic Methyltrioxorhenium (MTO)/H2O2 Oxyfunctionalization
Authors: Saladino Raffaele , Neri Veronica , Checconi Paola , Celestino Ignacio , Nencioni Lucia , Palamara Anna Teresa , Crucianelli Marcello 
Published: December 2012

AbstractThis paper describes a new route for the synthesis of 1′‐homo‐N‐nucleoside derivatives by means of either methyltrioxorhenium (MTO) or supported MTO catalysts, with H2O2 as the primary oxidant. Under these selective conditions, the oxyfunctionalization of the heterocyclic ring and the N heteroatom oxidation were operative processes, regardless of the type of substrate used, that is, purine or pyrimidine derivatives. In addition, the oxidation of 1′‐homo‐N‐thionucleosides, showed the occurrence of site‐specific oxidative nucleophilic substitutions of the heterocyclic ring. The MTO/H2O2 system showed, in general, high reactivity under both homogeneous and heterogeneous conditions, affording the final products with high conversion values of substrates and from medium to high yields. Many of the novel 1′‐homo‐N‐nucleoside analogues were active against the influenza A virus, without any cytotoxic effects, retaining their activity in both protected and unprotected forms.
Auf dem Weg zu Quantencomputern und neuem Zeitstandard
Authors: Harrer Roswitha 
Published: December 2012

AbstractDer Nobelpreis für Physik 2012 geht dieses Jahr an zwei Forscher aus der Quantenoptik. Sie haben durch bahnbrechende Experimente den Grundstein für die Entwicklung von Quantencomputern und extrem genauen Uhren gelegt.
Ein erster Zugang zum Diazirinon N2CO
Authors: Beckers Helmut , Zeng Xiaoqing , Willner Helge 
Published: December 2012

AbstractMit der Synthese und umfassenden Charakterisierung des zyklischen Diazirinons wurde kürzlich ein überraschend langlebiges Dimer der beiden stabilsten zweiatomigen Moleküle N2 und CO beschrieben.
Kinetics of Methyldiethanolamine Mineralization by Using UV/H2O2 Process
Authors: Harimurti Sabtanti , Rahmah Anisa Ur , Omar Abdul Aziz , Thanapalan Murugesan 
Published: December 2012

AbstractThe UV/H2O2 is one of the popular techniques in the advanced oxidation processes (AOPs) and has been applied in the wastewater treatment during recent two decades. UV exposure on the H2O2 generate highly reactive hydroxyl radicals (OH•), which are used to degrade organic contaminants through oxidation processes in wastewater. This present study involves the estimation of hydroxyl radical rate constants of methyldiethanolamine (MDEA) mineralization at different temperatures by using UV/H2O2 in aqueous solution. Laboratory experiments have been conducted and the profile of MDEA mineralization has been established. The hydroxyl radical rate constants and the activation energy of mineralization process have been calculated. The estimated hydroxyl rate constants and the activation energy are in good agreement with those reported in the literature.
Vermicomposting: An Eco‐Friendly Option for Fermentation and Dye Decolourization Waste Disposal
Authors: Kaushik Prachi , Malik Anushree , Sharma Satyawati 
Published: December 2012

AbstractBy‐products of various industrial fermentations can be good adsorbents for removing hazardous dyes from wastewater. However, after biosorption, regeneration of biomass is essential to minimize the solid waste generation or else the dye laden biomass should be suitably disposed off. In the present work, experiments were conducted on the Acid Navy Blue and Methylene Blue dyes which were biosorbed to the fungal biomass (strain closely related to Aspergillus lentulus) produced on corncob as the substrate through solid state fermentation. In order to dispose the dye laden biomass, it was vermicomposted along with cow dung (CD) employing Eisenia fetida. Results indicated that the dye laden biomass was not lethal toward the earthworms as no mortality was observed. However, as compared with control experiments (where dye laden biomass was absent), the reproductive potential of the earthworms was affected. Nevertheless, further investigations on optimization of biomass and CD ratios can facilitate vermicomposting as a potential route for disposing dye laden biomass.
Benchmarking the Lithium–Thiophene Complex
Authors: Harding Michael E. , Klopper Wim 
Published: December 2012

AbstractThe equilibrium geometry and the binding energy of the lithium–thiophene complex are determined by means of an accurate composite scheme. The scheme is based on approximate explicitly correlated coupled‐cluster theory with single and double excitations extended by higher‐level excitations. Core correlation effects as well as relativistic, diagonal Born–Oppenheimer, and counterpoise corrections are also taken into account. The best estimate of the binding energy amounts to De=41.2 kJ mol−1, with a 95 % confidence interval of ±1.0 kJ mol−1.
Personality Disorder Traits and Self‐Reported Target Problems in a Treatment‐Seeking Sample
Authors: Huband Nick , Evans Chris , Duggan Conor , Khan Omer 
Published: December 2012

BackgroundAssessments of personality disorder (PD) by clinicians or researchers are not always congruent with the problems that clients view as most salient. This can result in disagreement over areas for change, leading to dissatisfaction and the risk of treatment attrition.MethodThe sample comprised 141 treatment‐seeking adults with PD. Each described the five things they most wanted to change about themselves. These target problems were compared with PD diagnoses obtained from the International Personality Disorder Examination.ResultsThe congruence between the clients' target problems and PD traits identified by the professionals was generally weak. Disagreement arose where a client's target problem was not a PD trait and, less frequently, where the client and the professional agreed on the presence of a trait but not on its importance. Surprisingly, doubting the trustworthiness of others was the most commonly reported target problem in this treatment‐seeking sample even though many such participants did not qualify for that particular paranoid trait.ConclusionPersonality disorder diagnoses were generally poor indicators of the problems these clients cited as most important. This lack of correspondence may explain some of the lack of effectiveness of interventions for PD. Copyright © 2012 John Wiley & Sons, Ltd.Key Practitioner Message:

The problem that a client with personality disorder (PD) views as most important may only be weakly identified in a formal diagnostic assessment.
Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition, PD traits are insufficient to describe fully the things clients most want to change about themselves.
Many clients with PD consider difficulty trusting others to be their most important problem, despite not qualifying for that particular paranoid trait.
Risk of disagreement between the clinician and the client might be reduced if both parties can engage in a discussion about the results of any formal diagnostic assessment.
Relationship Between Patient Pre‐treatment Object Relations Functioning and Psychodynamic Techniques Early in Treatment
Authors: Mullin Anthony S. J. , Hilsenroth Mark J. 
Published: December 2012

This study explored the relationship between patient pre‐treatment object relations (OR) functioning and psychodynamic techniques employed during two early sessions (third and ninth). The sample consisted of 76 outpatients engaged in short‐term psychodynamic psychotherapy. Results showed that lower levels of patient pre‐treatment OR functioning, particularly in the identity and affective domains, were related to a greater use of psychodynamic–interpersonal techniques in sessions. Patients who had more adaptive management of aggressive impulses were related to a greater use of cognitive–behavioural techniques by therapists. In addition, exploratory analyses between OR functioning and specific psychodynamic–interpersonal and cognitive–behavioural techniques showed that lower OR functioning in terms of affect, self‐esteem, identity coherence, social causality, emotional investment in relationships as well as Global OR were significantly related to therapist focus on avoidance of important topics and affective changes during the session. Implications for clinical practice and Q1 future research are discussed. Copyright © 2012 John Wiley & Sons, Ltd.Key Practitioner Message:

Consider more frequent use of psychodynamic techniques early in treatment with patients expressing more pathological object representations, particularly when these deficits are in the affective and identity domains.
Lower patient object relations functioning may necessitate an in session focus on issues that are avoided or uncomfortable early in treatment.
Lower patient object relations functioning may necessitate the need to address and explore labile affective expressions in session as they occur early in treatment.
When patients are able to more adaptively express or manage aggressive impulses early within psychodynamic psychotherapy consider the integration of problem solving, goal oriented, future focused (i.e., CB) techniques.
Synthesis and characterization of strontium chloroborate whiskers
Authors: Zhu Donghai , Yun Shan , Nai Xueying , Zhao Dongmei , Liu Xin , Li Wu 
Published: December 2012

AbstractSingle crystalline strontium chloroborate (Sr2B5O9Cl) whiskers with uniform diameter have been synthesized by a facile route based on the calcination of precursor. The precursor was prepared by the sedimentation reaction between SrCl2 and Na2B4O7 aqueous solution. The products were characterized by X‐ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and Fourier transform infrared spectrum (FT‐IR). An optimal synthesis temperature for preparing Sr2B5O9Cl whiskers was obtained, and the possible formation process was also presented.