bluuebunny/crossref_metadata_2025_split huggingface dataset:
Binding Mode and Structure–Activity Relationships around Direct Inhibitors of the Nrf2–Keap1 Complex
Authors: Jnoff Eric , Albrecht Claudia , Barker John J. , Barker Oliver , Beaumont Edward , Bromidge Steven , Brookfield Frederick , Brooks Mark , Bubert Christian , Ceska Tom , Corden Vincent , Dawson Graham , Duclos Stephanie , Fryatt Tara , Genicot Christophe , Jigorel Emilie , Kwong Jason , Maghames Rosemary , Mushi Innocent , Pike Richard , Sands Zara A. , Smith Myron A. , Stimson Christopher C. , Courade Jean‐Philippe 
Published: February 2014

AbstractAn X‐ray crystal structure of Kelch‐like ECH‐associated protein (Keap1) co‐crystallised with (1S,2R)‐2‐[(1S)‐1‐[(1,3‐dioxo‐2,3‐dihydro‐1H‐isoindol‐2‐yl)methyl]‐1,2,3,4‐tetrahydroisoquinolin‐2‐carbonyl]cyclohexane‐1‐carboxylic acid (compound (S,R,S)‐1 a) was obtained. This X‐ray crystal structure provides breakthrough experimental evidence for the true binding mode of the hit compound (S,R,S)‐1 a, as the ligand orientation was found to differ from that of the initial docking model, which was available at the start of the project. Crystallographic elucidation of this binding mode helped to focus and drive the drug design process more effectively and efficiently.
Thermal Conversion of Hollow Prussian Blue Nanoparticles into Nanoporous Iron Oxides with Crystallized Hematite Phase
Authors: Zakaria Mohamed B. , Hu Ming , Hayashi Naoaki , Tsujimoto Yoshihiro , Ishihara Shinsuke , Imura Masataka , Suzuki Norihiro , Huang Yu‐Yuan , Sakka Yoshio , Ariga Katsuhiko , Wu Kevin C.‐W. , Yamauchi Yusuke 
Published: February 2014

AbstractWe recently demonstrated that Prussian blue (PB) coordination polymers can be successfully etched by acidic solution for the preparation of hollow PB nanoparticles (Angew. Chem. Int. Ed. 2012, 51, 984). In this paper, by using hollow PB nanoparticles as starting materials, we calcined them under various conditions to prepare nanoporous Fe oxides with a crystallized α‐Fe2O3 (hematite) phase. The obtained particles were carefully characterized by scanning electron microscopy, wide‐angle X‐ray diffraction, nitrogen gas adsorption–desorption isotherms, transmission electron microscopy, and Mössbauer spectroscopy. The morphologies, surface areas, and degrees of crystallinity of the samples were varied by changing the number of hours of calcination. After calcination at 400 °C for 4 h, formation of a crystallized α‐Fe2O3 phase was confirmed, although some residues of amorphous and/or γ‐Fe2O3 phases were also present. With a further increase in the calcination time (up to 7 h), the α‐Fe2O3 phase was predominantly formed. The obtained sample exhibited high surface area, which will be useful for photocatalytic applications.
Crystal Chemistry of Uranyl Carboxylate Coordination Networks Obtained in the Presence of Organic Amine Molecules
Authors: Mihalcea Ionut , Henry Natacha , Loiseau Thierry 
Published: February 2014

AbstractThree uranyl isophthalates (1,3‐bdc) and two uranyl pyromellitates (btec) of coordination‐polymer type were hydrothermally synthesized (200 °C for 24 h) in the presence of different amine‐based molecules [1,3‐diaminopropane (dap) or dimethylamine (dma) originating from the in situ decomposition of N,N‐dimethylformamide]. (UO2)2(OH)2(H2O)(1,3‐bdc)·H2O (1) is composed of inorganic tetranuclear cores, which are linked to each other through the isophthalato ligand to generate infinite neutral ribbons, which are intercalated by free H2O molecules. The compounds (UO2)1.5(H2O)(1,3‐bdc)2·0.5H2dap·1.5H2O (2) and UO2(1,3‐bdc)1.5·0.5H2dap·2H2O (3) consist of discrete uranyl‐centered hexagonal bipyramids connected to each other by a ditopic linker to form a single‐layer network for 2 or a double‐layer network for 3. The protonated diamine molecules are located between the uranyl–organic sheets and balance the negative charge of the layered sub‐networks. The phase (UO2)2O(btec)·2Hdma·H2O (4) presents a 2D structure built up from tetranuclear units, which consist of two central sevenfold coordinated uranium centers and two peripheral eightfold coordinated uranium centers. The connection of the resulting tetramers through the pyromellitate molecules generates an anionic layerlike structure, in which the protonated dimethylammonium species are inserted. The compound UO2(btec)·2Hdma (5) is also a lamellar coordination polymer, which contains isolated eightfold coordinated uranium cations linked through pyromellitate molecules and intercalated by protonated dimethylammonium species. In both phases 4 and 5, the btec linker has non‐bonded carboxyl oxygen atoms, which preferentially interact with the protonated amine molecules through a hydrogen‐bond network. The different illustrations show the structural diversity of uranyl–organic coordination polymers with organic amine molecules as countercations.
Irreversible Oxy‐2‐azonia‐Cope Rearrangements for the Synthesis of Functionalized Allyl α‐Amino Acid Derivatives
Authors: Mu Wenbo , Zhou Lijun , Zou Yue , Wang Quanrui , Goeke Andreas 
Published: February 2014

AbstractA general method to synthesize functionalized allyl α‐amino acid derivatives through an irreversible oxy‐2‐azonia‐Cope rearrangement is reported. In the presence of AlCl3, the reaction of imino ethyl glyoxalates with various β,γ‐unsaturated ketones furnished the corresponding allyl α‐amino acid derivatives. The key to the success of this method is the amide bond formation, which makes the rearrangement irreversible. This reaction system constitutes a new strategy for the synthesis of unusual allyl glycine derivatives, which are valuable synthetic intermediates. An efficient and operationally simple three‐component version of this reaction was also performed.
Organocatalytic Mannich Reactions on a Carbapenem Core – Synthesis of Mannich Bases and Bicyclic Diazanonanes
Authors: Cele Zamani E. D. , Pawar Sachin A. , Naicker Tricia , Maguire Glenn E. M. , Arvidsson Per I. , Kruger Hendrik G. , Govender Thavendran 
Published: February 2014

AbstractAn efficient diastereoselective synthesis of carbapenem Mannich bases was developed using organocatalysis. This method also provides a route to new highly functionalized diazabicyclo[4.2.1]nonanes of proposed biological significance.
Performance of base‐isolated reinforced concrete buildings under bidirectional seismic excitation considering pounding with retaining walls including friction effects
Authors: Pant Deepak R. , Wijeyewickrema Anil C. 
Published: February 2014

SUMMARYSeismic pounding of base‐isolated buildings has been mostly studied in the past assuming unidirectional excitation. Therefore, in this study, the effects of seismic pounding on the response of base‐isolated reinforced concrete buildings under bidirectional excitation are investigated. For this purpose, a three‐dimensional finite element model of a code‐compliant four‐story building is considered, where a newly developed contact element that accounts for friction and is capable of simulating pounding with retaining walls at the base, is used. Nonlinear behavior of the superstructure as well as the isolation system is considered. The performance of the building is evaluated separately for far‐fault non‐pulse‐like ground motions and near‐fault pulse‐like ground motions, which are weighted scaled to represent two levels of shaking viz. the design earthquake (DE) level and the risk‐targeted maximum considered earthquake (MCER) level. Nonlinear time‐history analyses are carried out considering lower bound as well as upper bound properties of isolators. The influence of separation distance between the building and the retaining walls at the base is also investigated. It is found that if pounding is avoided, the performance of the building is satisfactory in terms of limiting structural and nonstructural damage, under DE‐level motions and MCER‐level far‐fault motions, whereas unacceptably large demands are imposed by MCER‐level near‐fault motions. In the case of seismic pounding, MCER‐level near‐fault motions are found to be detrimental, where the effect of pounding is mostly concentrated at the first story. In addition, it is determined that considering unidirectional excitation instead of bidirectional excitation for MCER‐level near‐fault motions provides highly unconservative estimates of superstructure demands. Copyright © 2014 John Wiley & Sons, Ltd.
Thermal conductivity of gypsum boards beyond dehydration temperature
Authors: Ghazi Wakili K. , Koebel M. , Glaettli T. , Hofer M. 
Published: February 2014

SummaryThe thermal conductivity of gypsum plasterboard at temperatures beyond its dehydration/calcination temperature is, besides the effective heat capacity, the main parameter defining the increase in heat transfer when the board is submitted on one side to a strongly transient temperature boundary condition. The present study investigates the significant rise in thermal conductivity of dehydrated gypsum plaster board between 200 and 800 °C, reaching the initial hydrated value of 0.3 W/(m·K). It is shown that the main reason for this increase is independent of radiative and convective heat transfers and only due to an enhancement of the conduction between the single crystals induced by an effect similar to sintering. Copyright © 2014 John Wiley & Sons, Ltd.
PEMFC Performances Using Photocatalytic Hydrogen with a Dead‐Ended Anode
Authors: Rodriguez J. , Puzenat E. , Mosdale R. , Thivel P.‐X. 
Published: February 2014

AbstractHydrogen was produced via photocatalytic dehydrogenation or reforming of different alcohols using Pt/TiO2 as catalyst. The hydrogen produced was not pure and contained some alcohol and by‐products such as aldehydes and CO2. The photocatalytic hydrogen production system was coupled with an air‐breathing PEM fuel cell. Different experimental parameters and conditions were compared such as photocatalyst concentration. Photocatalytic hydrogen resulted in very similar PEMFC performances as those obtained with pure hydrogen. The PEM fuel cell reached a current density of 52 mA cm–2 at 220 mV cell voltage using hydrogen produced with the photocatalytic set up. No irreversible poisoning effect was observed due to photocatalytic by‐products. However, purging of the anodic compartment of the PEMFC was necessary to maintain good performances because of the accumulation of photocatalyst by‐products in dead‐end mode.
Freestanding Micro‐SOFCs with Electrodes Prepared by Electrostatic Spray Deposition
Authors: Choi S. H. , Kim S. W. , Hwang C. S. , Lee M. H. 
Published: February 2014

AbstractWe report a freestanding micro solid oxide fuel cell with both the anode and cathode deposited using electrostatic spray deposition (ESD) technique. The cell is consisted of dense yittria‐stabilized zirconia (YSZ) electrolyte (100 nm thick), porous lanthanum strontium manganite (LSM)–YSZ cathode (∼3 μm thick), and porous NiO‐YSZ anode (∼3 μm thick). LSM‐YSZ and NiO‐YSZ composite powders were initially prepared by glycine nitrate process and super‐critical fluid processes, respectively, and both cathode and anode layers were deposited by the ESD. The resulting freestanding micro cell exhibited an open circuit voltage close to the theoretical value of 1.09 V, and a maximum power density of 41.3 mWcm–2 at 640 °C.
Nerve Growth Factor Modulation of Retinal Ganglion Cell Physiology
Authors: Roberti Gloria , Mantelli Flavio , Macchi Ilaria , Massaro‐Giordano Mina , Centofanti Marco 
Published: February 2014

AbstractNerve growth factor (NGF) is an endogenous neurotrophin involved in the development, maintenance and regeneration of mammalian sympathetic and sensory neurons. Additionally, NGF is known to have trophic and differentiating activity on several populations of cholinergic neurons of the central nervous system (CNS), and to act as a differentiation factor in the development of the visual cortex. The paramount functions of NGF in the visual system are also highlighted by the presence of this neurotrophin and both its receptors TrkA and p75 in most intra‐ocular tissues, including lens, vitreous, choroid, iris, and trabecular meshwork. In the retina, NGF is produced and utilized specifically by retinal ganglion cells (RGC), bipolar neurons and glial cells, and is thought to have crucial protective effects in several disease states. Studies on the role of NGF on RGCs survival following optic nerve transection, ischemic injury, ocular hypertension and glaucoma are discussed in this review. J. Cell. Physiol. 229: 1130–1133, 2014. © 2014 Wiley Periodicals, Inc.
Setal morphology of the grooming appendages of Macrobrachium rosenbergii (Crustacea: Decapoda: Caridea: Palaemonidae) and review of decapod setal classification
Authors: Wortham Jennifer L. , VanMaurik Lauren N. , Wayne Price W. 
Published: February 2014

ABSTRACTSetae are vital in grooming activities and aiding in the removal of epibionts and sedimentary fouling from the body surfaces of decapod crustaceans. Thus, the setal structures and their arrangement on the grooming appendages and sensory structures of the commercially important shrimp, Macrobrachium rosenbergii, were examined using scanning electron microscopy. Macrobrachium rosenbergii is extensively grown in aquaculture and exhibits unique male morphological forms, termed morphotypes. The three male morphotypes are termed blue‐clawed males, orange‐clawed males, and small‐clawed or undifferentiated males and all three differ in their dominance, behavior, body morphology, and reproductive success. Seven setal types, two of which have never been described in the literature, are identified on the grooming appendages (third maxillipeds, first, second, and fifth pereopods) and antennae: simple, serrate, serrulate, spiniform, pappose, crinoid, and spinulate. The latter two setae are newly identified. Certain setal types, such as serrate and serrulate setae were located and associated with specific grooming appendages such as the first pereopods. The types of setae on the grooming appendages varied among females and male morphotypes and the novel setal types (crinoid and spinulate) were found only on two of the male morphotypes. A literature review of terminology related to the structure of setae and setal types in decapod crustaceans is offered as the usage of various terms is ambiguous and conflicting in the literature. The intention of this review is to provide future authors with a comprehensive collection of terms and images that can be used to describe various aspects of setal morphology in decapods. J. Morphol. 275:634–649, 2014. © 2014 Wiley Periodicals, Inc.
Hindlimb myology of the monk parakeet (Aves, Psittaciformes)
Authors: Carril Julieta , Mosto María C. , Picasso Mariana B. J. , Tambussi Claudia P. 
Published: February 2014

ABSTRACTWe studied the hindlimb myology of the monk parakeet (Myiopsitta monachus). Like all parrots, it has zygodactyl feet enabling perching, climbing, hanging, moving easily among trees, and handling food. Muscles were described and weighed, and physiological cross‐sectional area (PCSA) of four flexors and one extensor was calculated. In comparison to other muscles, the M. tibialis cranialis and the M. fibularis brevis show increased development and high PCSA values, and therefore, large potential force production. Also, a large proportion of muscle mass was involved in flexing the digits. We hypothesize that these muscle traits are associated with the arboreal locomotion and food manipulation habits. In the monk parakeet, the M. extensor digitorum longus sends a branch to the hallux, and the connection between the M. flexor digitorum longus and the M. flexor hallucis longus is type I (Gadow's classification). We reaffirm the presence of the M. ambiens as a plesiomorphic condition that disappears in most members of the order. Among Psittaciformes, the M. fibularis brevis is stronger and the M. fibularis weaker in arboreal species than in basal terrestrial ones (e.g., Strigops). J. Morphol. 275:732–744, 2014. © 2014 Wiley Periodicals, Inc.
0.125 mm3 spatial resolution steady‐state MR angiography of the thighs with a blood pool contrast agent using the quadrature body coil only at 1.5 Tesla
Authors: Boschewitz Jack M. , Hadizadeh Dariusch R. , Kukuk Guido M. , Meyer Carsten , Wilhelm Kai , Koscielny Arne , Verrel Frauke , Gieseke Jürgen , Schild Hans H. , Willinek Winfried A. 
Published: February 2014

PurposeTo implement and evaluate high spatial resolution three‐dimensional MR contrast‐enhanced angiography (3D‐CEMRA) of the thighs using a blood pool contrast agent (BPCA) using the quadrature body coil only in patients with peripheral arterial occlusive disease (PAOD) in cases receiver coils cannot be used at 1.5 Tesla (T).Materials and MethodsNineteen patients (mean age: 68.7 ± 11.2 years; range, 38–83 years) with known PAOD (Fontaine stages; III: 16, IV: 3) prospectively underwent 3D‐CEMRA at 1.5T with a noninterpolated voxel size of 0.49 × 0.49 × 0.48 mm3. Digital subtraction angiography (DSA) was available for comparison in all patients. Two readers independently evaluated movement artifacts, overall image quality of 3D‐CEMRA, and grade of stenosis as compared to DSA. SNR and CNR levels were quantified.ResultsThe 3D‐CEMRA was successfully completed in all patients. Patient movement artifacts that affected stenosis grading occurred in 3/38 thighs. Overall image quality was rated excellent in 15/38, good in 12/38, and diagnostic in 8/38 thighs. Stenosis grading matched with that in DSA in 35/38 thighs. High SNR and CNR were measured in all vessels.ConclusionThe 0.125 mm3 spatial resolution 3D‐CEMRA of the thighs with a BPCA is feasible using a quadrature body coil exclusively with excellent image quality despite long acquisition times. J. Magn. Reson. Imaging 2014;40:996–1001. © 2014 Wiley Periodicals, Inc.
Usefulness of thin‐section single‐shot turbo spin echo with half‐fourier acquisition in evaluation of local invasion of lung cancer
Authors: Chang Suyon , Hong Sae Rom , Kim Young Jin , Hong Yoo Jin , Hur Jin , Choi Byoung Wook , Lee Hye‐Jeong 
Published: February 2014

PurposeTo evaluate the usefulness of thin‐section single‐shot turbo spin echo with half‐Fourier acquisition (SS‐TSE‐HF) alone for evaluation of local invasion of lung cancer.Materials and MethodsOur Institutional Review Board approved this retrospective study. Thirty‐six patients with lung cancer who underwent magnetic resonance imaging (MRI) for evaluation of local invasion followed by curative surgery from July 2008 to June 2012 were enrolled in this study. Two reviewers independently and blindly reviewed computed tomography (CT) and MRI (thin‐section SS‐TSE‐HF and conventional MRI, which consisted of conventional axial SS‐TSE‐HF, dynamic MRI with respiratory and/or cardiac cine, and T1‐weighted high‐resolution isotropic volume examination [THRIVE]) for the presence of local invasion. Diagnostic performances were evaluated using gross surgical findings and pathological results as a standard reference.ResultsThe overall diagnostic performance for detecting local invasion of lung cancer between the two reviewers were as follows: specificity and accuracy of thin‐section SS‐TSE‐HF (89.0% and 87.5%) were significantly higher than those of CT (25.6% and 46.9%, P < 0.001 for both) or conventional MRI (61.0% and 69.5%, P < 0.001 and P = 0.008, respectively). Sensitivity was 84.8% for thin‐section SS‐TSE‐HF with the same value for CT (P = 0.246) and conventional MRI (P = 0.209).ConclusionThin‐section SS‐TSE‐HF sequence alone without any contrast agent demonstrated a relatively high diagnostic performance in evaluation of local invasion of lung cancer. J. Magn. Reson. Imaging 2015;41:747–754. © 2014 Wiley Periodicals, Inc.
Analysis of Schrödinger operators with inverse square potentials II: FEM and approximation of eigenfunctions in the periodic case
Authors: Hunsicker Eugénie , Li Hengguang , Nistor Victor , Uski Ville 
Published: February 2014

AbstractIn this article, we consider the problem of optimal approximation of eigenfunctions of Schrödinger operators with isolated inverse square potentials and of solutions to equations involving such operators. It is known in this situation that the finite element method performs poorly with standard meshes. We construct an alternative class of graded meshes, and prove and numerically test optimal approximation results for the finite element method using these meshes. Our numerical tests are in good agreement with our theoretical results.Copyright © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 30: 1130–1151, 2014
Modeling a grid‐connected concentrator photovoltaic system
Authors: Strobach Ehud , Faiman David , Kabalo Shlomo , Bokobza Dov , Melnichak Vladimir , Gombert Andreas , Gerstmaier Tobias , Röttger Michael 
Published: February 2014

AbstractA six‐parameter formula is proposed for describing the hourly alternating current performance of a grid‐connected, passively cooled concentrator photovoltaic (CPV) system. These system parameters all have physical meanings, and techniques are described for deriving their numerical values. The predictions of the model are compared with the measured output of a Soitec CPV system at Sede Boqer and found to be accurate to approximately ± 5% at all times of the year. The model should also be valid for systems of similar construction operated in different climates from the system studied here, and also for passively cooled CPV systems of different designs provided that suitable numerical values are determined for their system parameters. Another possible use of the model is as a guide for tailoring CPV cell architecture to the particular spectral conditions of the locations in which they will operate. Attention is drawn to the fact that the numerical values of some of the system parameters are found to depend upon the time binning employed for the data. An explanation is given for this phenomenon, which is also found to occur for non‐concentrating photovoltaic panels. Copyright © 2014 John Wiley & Sons, Ltd.
Acceptor–acceptor conjugated copolymers based on perylenediimide and benzothiadiazole for all‐polymer solar cells
Authors: Ge Cong‐Wu , Mei Chong‐Yu , Ling Jun , Wang Jin‐Tu , Zhao Fu‐Gang , Liang Long , Li Hong‐Jiao , Xie Yong‐Shu , Li Wei‐Shi 
Published: February 2014

ABSTRACTDonor–acceptor (D–A) conjugated copolymers are one of known classes of organic optoelectronic materials and have been well developed. However, less attention has been paid on acceptor–acceptor (A–A) conjugated analogs. In this work, two types of A–A conjugated copolymers, namely P1‐Cn and P2‐Cn (n is the carbon number of their alkyl side chains), were designed and synthesized based on perylenediimide (PDI) and 2,1,3‐benzothiadiazole (BT). Different from P1‐Cn, P2‐Cn polymers have additional acetylene π‐spacers between PDI and BT and thus hold a more planar backbone configuration. Property studies revealed that P2‐Cn polymers possess a much red‐extended UV–vis absorption spectrum, stronger π–π interchain interactions, and one‐order larger electron mobility in their neat film state than P1‐Cn. However, all‐polymer solar cells using P1‐Cn as acceptor component and poly(3‐hexyl thiophene) or poly(2,7‐(9,9‐didodecyl‐fluoene)‐alt−5,5′‐(4,7‐dithienyl‐2‐yl‐2,1,3‐benzothiadiazole) as donor component exhibited much better performance than those based on P2‐Cn. Apart from their backbone chemical structure, the side chains were found to have little influence on the photophysical, electrochemical, and photovoltaic properties for both P1‐Cn and P2‐Cn polymers. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014, 52, 1200–1215