bluuebunny/crossref_metadata_2025_split huggingface dataset:
Defining A‐Kinase Anchoring Protein (AKAP) Specificity for the Protein Kinase A Subunit RI (PKA‐RI)
Authors: Autenrieth Karolin , Bendzunas N. George , Bertinetti Daniela , Herberg Friedrich W. , Kennedy Eileen J. 
Published: November 2015

AbstractA‐Kinase anchoring proteins (AKAPs) act as spatial and temporal regulators of protein kinase A (PKA) by localizing PKA along with multiple proteins into discrete signaling complexes. AKAPs interact with the PKA holoenzyme through an α‐helix that docks into a groove formed on the dimerization/docking domain of PKA‐R in an isoform‐dependent fashion. In an effort to understand isoform selectivity at the molecular level, a library of protein–protein interaction (PPI) disruptors was designed to systematically probe the significance of an aromatic residue on the AKAP docking sequence for RI selectivity. The stapled peptide library was designed based on a high affinity, RI‐selective disruptor of AKAP binding, RI‐STAD‐2. Phe, Trp and Leu were all found to maintain RI selectivity, whereas multiple intermediate‐sized hydrophobic substitutions at this position either resulted in loss of isoform selectivity (Ile) or a reversal of selectivity (Val). As a limited number of RI‐selective sequences are currently known, this study aids in our understanding of isoform selectivity and establishing parameters for discovering additional RI‐selective AKAPs.
Interplay of Exciton Coupling and Large‐Amplitude Motions in the Vibrational Circular Dichroism Spectrum of Dehydroquinidine
Authors: Nicu Valentin P. , Domingos Sérgio R. , Strudwick Benjamin H. , Brouwer Albert M. , Buma Wybren J. 
Published: November 2015

AbstractA detailed analysis of the computed structure, energies, vibrational absorption (VA) and circular dichroism (VCD) spectra of 30 low‐energy conformers of dehydroquinidine reveals the existence of families of pseudo‐conformers, the structures of which differ mostly in the orientation of a single OH bond. The pseudo‐conformers in a family are separated by very small energy barriers (i.e., 1.0 kcal mol−1 or smaller) and have very different VCD spectra. First, we demonstrate the unreliable character of the Boltzmann factors predicted with DFT. Then, we show that the large differences observed between the VCD spectra of the pseudo‐conformers in a family are caused by large‐amplitude motions involving the OH bond, which trigger the appearance/disappearance of strong VCD exciton‐coupling bands in the fingerprint region. This interplay between exciton coupling and large‐amplitude‐motion phenomena demonstrates that when dealing with flexible molecules with polar bonds, vibrational averaging of VCD spectra should not be neglected. In this regard, the dehydroquinidine molecule considered here is expected to be a typical example and not the exception to the rule.
Development of Hybrid BiOClxBr1−x‐Embedded Alumina Films and Their Application as Highly Efficient Visible‐Light‐Driven Photocatalytic Reactors
Authors: Gnayem Hani , Dandapat Anirban , Sasson Yoel 
Published: November 2015

AbstractA highly stable 75 wt % BiOClxBr1−x‐loaded alumina composite film has been developed for the fabrication of glass‐based photoreactors. A very simple approach has been adopted that does not involve the use of a special instrument and can be applied to all types of substrates irrespective to their size and shape. The structure and morphology of the films were well characterized by XRD, SEM, TEM, N2‐sorption, IR, Raman, and UV/Vis diffuse reflectance spectroscopy. BiOClxBr1−x microspheres (1–3 μm) with closely packed thin nanoplates (width ≈10 nm) were integrated within alumina to develop a hybrid film. The photocatalytic capacity of the films was evaluated for the decomposition of Rhodamine B (RhB) and naphthalene under visible‐light irradiation. The composite films showed a remarkable photocatalytic activity and stability and have been reused for several cycles without any deterioration of their original activity.
Preparation and Isolation of a Chiral Methandiide and Its Application as Cooperative Ligand in Bond Activation
Authors: Feichtner Kai‐Stephan , Englert Simon , Gessner Viktoria H. 
Published: November 2015

AbstractThe activation of element–hydrogen bonds by means of metal–ligand cooperation has received increasing attention as alternative to classical activation processes, which exclusively occur at the metal center. Carbene complexes derived from methandiide precursors have been applied in this chemistry enabling the activation of a series of EH bonds by addition reactions across the MC bond. However, no chiral carbene complexes have been applied to realize stereoselective transformations to date. Herein, we report the isolation and structure elucidation of an enantiomerically pure dilithiomethane, which could be prepared by direct double deprotonation. The obtained dilithium salt was used for the preparation of the first chiral methandiide‐derived carbene complex, which was applied in stereoselective cooperative SH bond activation.
Recent Applications of Organic Solvent Nanofiltration
Authors: Priske Markus , Lazar Marina , Schnitzer Christian , Baumgarten Goetz 
Published: November 2015

AbstractCompared to other unit operations organic solvent nanofiltration is still regarded as a new one with its first commercial successes in the early 1990s. Since then a number of new applications and processes were developed that prove the potential of organic solvent nanofiltration as a resource‐efficient cold separation technology and enabler of new processes and even new products. Applications of organic solvent nanofiltration are found in the oil‐ and petrochemical industry, in the food and bioproduct industry, in the bulk chemistry as well as in the fine chemistry and pharmaceutical industry. Aim of this work is to give an overview of recent applications of organic solvent nanofiltration and highlight emerging trends.
Eco‐friendly Energy Storage System: Seawater and Ionic Liquid Electrolyte
Authors: Kim Jae‐Kwang , Mueller Franziska , Kim Hyojin , Jeong Sangsik , Park Jeong‐Sun , Passerini Stefano , Kim Youngsik 
Published: November 2015

AbstractAs existing battery technologies struggle to meet the requirements for widespread use in the field of large‐scale energy storage, novel concepts are urgently needed concerning batteries that have high energy densities, low costs, and high levels of safety. Here, a novel eco‐friendly energy storage system (ESS) using seawater and an ionic liquid is proposed for the first time; this represents an intermediate system between a battery and a fuel cell, and is accordingly referred to as a hybrid rechargeable cell. Compared to conventional organic electrolytes, the ionic liquid electrolyte significantly enhances the cycle performance of the seawater hybrid rechargeable system, acting as a very stable interface layer between the Sn‐C (Na storage) anode and the NASICON (Na3Zr2Si2PO12) ceramic solid electrolyte, making this system extremely promising for cost‐efficient and environmentally friendly large‐scale energy storage.
Remarkable Influence of Phenyl/Arylethynylation on the Photo­chromism of 2,2‐Diphenylbenzo­pyrans (Chromenes)
Authors: Mukhopadhyay Arindam , Maka Vijay Kumar , Moorthy Jarugu Narasimha 
Published: November 2015

AbstractPhenyl/arylethynylation of 2,2‐diphenylbenzopyrans (i.e., chromenes) permits modulation of the spectral properties of photogenerated colored o‐quinonoid intermediates, and brings about remarkable stabilization of the latter, rendering the phenomenon of photochromism observable readily at room temperature. Modification of the spectrokinetic properties of the o‐quinonoid intermediates are a consequence of resonance effects, with the substituent effects being relayed nicely from one end of the molecule to the other. Functionalization at the 6‐position of the chromene nucleus leads to more redshifted absorptions as well as to increased lifetimes of the colored species when compared with functionalization at the 7‐position. Given that photochromism is observable in the parent chromene at only low temperatures, phenyl/arylethynylation, which precludes steric inhibition of resonance, is demonstrated to render bleaching kinetics of the colored intermediates that approach those reported for industrially relevant diarylnaphthopyrans.
Synthesis, Structure, Spectral and Electrochemical Properties of [20]Dioxahomoporphyrins and ­Covalently Linked Dioxahomoporphyrin–Porphyrin Dyads
Authors: Ganapathi Emandi , Kuilya Subrata , Chatterjee Tamal , Ravikanth Mangalampalli 
Published: November 2015

AbstractA series of new [20]dioxahomoporphyrins have been synthesized by [2+2] condensation of (but‐2‐ene‐2,3‐diyldifuran‐2,5‐diyl)bis(p‐methoxyphenylmethanol) with appropriate meso‐aryldipyrromethanes under mild acid‐catalyzed conditions. The X‐ray structure determined for one of the dioxahomoporphyrins revealed that the macrocycle is significantly distorted and the two furan rings are completely out‐of‐plane from the mean plane. The [20]dioxahomoporphyrin macrocycles are stable and non‐aromatic, and have been characterized in detail by HRMS, 1D and 2D NMR spectroscopy, UV/Vis spectrophotometry and electrochemical techniques. The iodo‐functionalized [20]dioxahomoporphyrin was used to synthesize a covalently linked diphenylethyne‐bridged [20]dioxahomoporphyrin–porphyrin dyad by coupling with an ethynyl‐functionalized porphyrin under mild copper‐free Pd0 catalytic conditions. The metallation of the porphyrin macrocycle of the [20]dioxahomoporphyrin–porphyrin dyad was carried out by treating the dyad with the appropriate metal salt under standard conditions and the resulting [20]dioxahomoporphyrin–metalloporphyrin dyads were characterized by various spectral and electrochemical techniques. The results of the studies indicated that in the dyads the dioxahomoporphyrin and porphyrin/metalloporphyrin units interact weakly and retain their individual features.
Energy conversion in an internally illuminated annular‐plate airlift photobioreactor
Authors: Jeffryes Clayton , Severi Veronica , Delhaye Antoine , Urbain Brieuc , Grama Borhane Samir , Agathos Spiros N. 
Published: November 2015

Algal‐derived therapeutics, bioactive molecules, and fuels produced in photobioreactors (PBRs) are of great scientific and economic interest, but the high cost of production still prevents their widespread use. Specifically, the cost of the energy inputs and the control of the photonic inputs that enable production optimization continue to be problematic. To this end, a novel 55‐L annular‐plate airlift PBR (APAPBR) with internal illumination was designed and characterized for the batch production of algal biomass. The APAPBR was able to convert mixing and photonic energy inputs into Chlorella pituita SG1 biomass at an efficiency of 0.064 (J biomass [J input]−1), or 0.27 g dry cell weight (DW) W−1 d−1. Thanks to a high degree of photon capture and the airlift effect that provided energy‐efficient mixing and mass transfer, this energy conversion is 54% of the theoretical maximum as determined in previous studies. Under these efficiency conditions, C. pituita SG1 was able to grow photoautotrophically to 3.9 ± 0.2 gDW L−1. Additionally, a mathematical approach was used to predict the mean light intensity with the highest biomass yield per unit of photonic input and the maximum biomass concentration achievable under the given process conditions. These predictions were validated in our system by the experimental cultivation data. This APAPBR represents a simple, innovative, and energy‐efficient PBR configuration that could decrease the cost of phototrophic bioprocesses and enable novel bioprocesses that require a high degree of control over the photonic input.
Energy Storage and Transportation Based on Solar Irradiation‐Aided CaO‐Looping
Authors: Obermeier Jonas , Müller Benjamin , Müller Karsten , Arlt Wolfgang 
Published: November 2015

AbstractFor the utilization of surplus solar energy from desert regions in central Europe, a concept for trans‐regional energy storage and transportation based on the reversible chemical reaction of CaO/CaCO3has been proposed previously. In this context it is necessary to consider potential side reactions and the influences of heat recovery and conversion on efficiency of the thermochemical storage. To realize a zero emission energy distribution cycle, different CO2‐recycling strategies are evaluated. The synthetic natural gas (SNG) synthesis is identified as the most suitable technology and a combined CaO/CaCO3–SNG cycle is developed. Based on process simulation, an overall solar‐to‐electricity efficiency of 9.8 % and an exergetic efficiency of 10.5 % are obtained. The solar hydrogen generation is identified as the most critical step for the overall efficiency. The suggested concept can be competitive to trans‐regional solar energy distribution proposals with parabolic trough power plants and high‐voltage direct‐current (HVDC) lines.
A European Perspective: Potential of Grid and Storage for Balancing Renewable Power Systems
Authors: Weitemeyer Stefan , Kleinhans David , Wienholt Lukas , Vogt Thomas , Agert Carsten 
Published: November 2015

AbstractIncreasing transmission grid capacities and the use of storage devices are two options often considered to balance the fluctuations originating from variable renewable energy sources (VRES) in power supply systems. We investigate which storage characteristics are most beneficial for integrating a high share of VRES into a fully connected European power system. By applying a modeling approach to long‐term meteorological and load data, we find that a suitable combination of solar and wind capacities permits the cost‐effective integration of very high shares of VRES if complemented with the installation of small, highly efficient storage systems and fully flexible backup capacities. Our simulations also show that the grid is used significantly for approximately 3/4 of the time to balance surpluses and deficits. The results emphasize that the expansion of the European transmission grid is an important option to consider for the reduction of the required balancing measures for integrating very high shares of VRES.
Morphotectonics and ridge jumpings in the Indian Ocean
Authors: Suo Y. H. , Li S. Z. , Yu S. , Zhang Z. , Li X. Y. , Guo L. L. 
Published: November 2015

AbstractThe Indian Ocean experienced a complex tectonic evolution after its initial rifting since the Late Cretaceous, including three major jumpings and reorganizations of mid‐ocean ridges at 80 Ma, 60 Ma, and 40 Ma, respectively, which had important impacts on the present‐day tectonic pattern and physiography. We develop a new division principle on submarine morphotectonics and subdivide the Indian Ocean into first‐ to fourth‐order tectonic geomorphologic units and four growth phases, by integrating bathymetric and gravity anomaly data within a regional plate kinematic framework. The Southwest Indian Ocean (SWIO), the Central Indian Ocean (CIO), and the Southeast Indian Ocean (SEIO) comprise the first‐order geomorphologic units, based on tectonic symmetry and seafloor‐spreading rates. Four second‐order units with plate ages of >80 Ma, 80–60 Ma, 60–40 Ma, and 40–0 Ma, respectively, are divided in the Indian Ocean, based on dramatic changes in the direction of the main fracture zones due to three ridge jumping events. Third‐order units are characterized either by positive gravity anomaly associated with transform faults or oceanic core complexes (OCCs) or by negative gravity anomaly associated with hotspots or continental fragments of East Gondwana. The third‐order units are subdivided into fourth‐order units. Typical fourth‐order units are characterized either by gravity values of less than −46 mGal associated with hotspot‐related crustal thickening or greater than 46 mGal associated with OCC‐related or other unconfirmed tectonic‐related crustal thinning. Copyright © 2015 John Wiley & Sons, Ltd.
Detection of aberrant hippocampal mossy fiber connections: Ex vivo mesoscale diffusion MRI and microtractography with histological validation in a patient with uncontrolled temporal lobe epilepsy
Authors: Modo Michel , Hitchens T. Kevin , Liu Jessie R. , Richardson R. Mark 
Published: November 2015

AbstractUnderstanding the neurobiology and functional connectivity of hippocampal structures is essential for improving the treatment of mesial temporal lobe epilepsy. At the macroscale, in vivo MRI often reveals hippocampal atrophy and decreased fractional anisotropy, whereas at the microscopic scale, there frequently is evidence of neuronal loss and gliosis. Mossy fiber sprouting in the dentate gyrus (DG), with evidence of glutamatergic synapses in the stratum moleculare (SM) putatively originating from granule cell neurons, may also be observed. This aberrant connection between the DG and SM could produce a reverberant excitatory circuit. However, this hypothesis cannot easily be evaluated using macroscopic or microscopic techniques. We here demonstrate that the ex vivo mesoscopic MRI of surgically excised hippocampi can bridge the explanatory and analytical gap between the macro‐ and microscopic scale. Specifically, diffusion‐ and T2‐weighted MRI can be integrated to visualize a cytoarchitecture that is akin to immunohistochemistry. An appropriate spatial resolution to discern individual cell layers can then be established. Processing of diffusion tensor images using tractography detects extra‐ and intrahippocampal connections, hence providing a unique systems view of the hippocampus and its connected regions. Here, this approach suggests that there is indeed an aberrant connection between the DG and SM, supporting the sprouting hypothesis of a reverberant excitatory network. Mesoscopic ex vivo MR imaging hence provides an exciting new avenue to study hippocampi from treatment‐resistant patients and allows exploration of existing hypotheses, as well as the development of new treatment strategies based on these novel insights. Hum Brain Mapp 37:780–795, 2016. © 2015 Wiley Periodicals, Inc.
Ghana's Economic Recovery Programme and the Globalisation of Ashanti Goldfields Company Ltd
Authors: Nikoi Ebenezer 
Published: November 2015

AbstractAshanti Goldfields Company (Ashanti) was a small gold mining company until Ghana's implementation of the economic recovery programme in 1983. Subsequently, Ashanti was transformed into a multinational gold mining company, with six producing mines in four African countries and seven major exploration projects and publicly listed on six international financial markets. The present study shows that Ashanti's globalisation derives from the combined effects of the economic recovery programme, specific government incentives and Ashanti's own business strategies. The study demonstrates how a local company in a low‐income country could utilise opportunities created by government policies to profitably globalise its operations. Copyright © 2015 John Wiley & Sons, Ltd.
Interpretation of infrared spectra for OM characterization of soil structural surfaces of Bt‐horizons
Authors: Ellerbrock Ruth H. , Leue Martin , Gerke Horst H. 
Published: November 2015

AbstractThe surfaces of macropores or aggregates can act as hot spots for biogeochemical processes and solute transport during preferential flow. For the characterization of organic matter (OM) at macropore surfaces non‐destructive methods have been applied such as diffuse reflectance infrared Fourier transform spectroscopy (DRIFT). However, effects of organic components on DRIFT signal intensities are often difficult to distinguish from those of mineral components. Here, DRIFT spectra from intact earthworm burrow walls and coated cracks were re‐evaluated to improve the interpretation of C–H and C=O bands. We compared DRIFT and transmission Fourier transform infrared (FTIR) spectra of entire samples that were from the same pedogenetic soil horizon (Bt) but different in mineral composition and texture (i.e., glacial till vs. loess). Spectra of incinerated samples were subtracted from the original spectra. Transmission FTIR and DRIFT spectra were almost identical for entire soil samples. However, the DRIFT spectra were affected by the bulk mode bands (i.e., wavenumbers 2000 to 1700 cm−1). These bands affected spectral resolution and reproducibility. The ratios between C–H and C=O band intensities as indicator for OM quality obtained with DRIFT were smaller than those obtained from transmission FTIR. The results demonstrated that DRIFT and transmission FTIR data required separate interpretations. DRIFT spectroscopy as a non‐destructive method for analyzing OM composition at intact surfaces in structured soils could be calibrated with information obtained with the more detailed transmission FTIR and complementary methods. Spectral subtraction procedure was found useful to reduce effects of mineral absorption bands. The improved DRIFT data may be related to other soil properties (e.g., cation exchange capacity) of hot spots in structured soils.
Color, sensory and physicochemical attributes of beef burger made using meat from young bulls fed levels of licuri cake
Authors: de Gouvêa Ana AL , Oliveira Ronaldo L , Leão André G , Assis Dallyson YC , Bezerra Leilson R , Nascimento Júnior Nilton G , Trajano Jaqueline S , Pereira Elzania S 
Published: November 2015

AbstractBACKGROUND:Licuri cake is a biodiesel byproduct and has been tested as an alternative feed additive for use in cattle production. This study analyzed the color, sensory and chemical attributes of burger meat from bovines. Thirty‐two young Nellore bulls were used, housed in individual pens and distributed in a randomized experimental design with four treatments: no addition or the addition of 7, 14 or 21% (w/w) licuri cake in the dry matter of the diet.RESULTS:Interactions between the licuri cake level and the physicochemical variables (P > 0.05) were observed. Additionally, an interaction was observed between the licuri cake level and the burger beef color parameter lightness index (L*) (P = 0.0305). The L* value was positively and linearly correlated with the proportion of licuri cake in the diet of young bulls. The level of inclusion of licuri cake did not affect (P > 0.05) the sensory characteristics; the variables were graded between 6 and 7, indicating good overall acceptance.CONCLUSION:Up to 21% (w/w) licuri cake can be included in the diet of young bulls without negatively impacting on beef burger quality. © 2015 Society of Chemical Industry