bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stereoselective Ring‐Opening Metathesis Polymerization of 7‐tert‐Butoxy‐bicyclo[2,2,1]hepta‐2,5‐diene by NHC–Ruthenium Catalysts
Authors: Mariconda Annaluisa , Grisi Fabia , Granito Alberto , Longo Pasquale 
Published: May 2013

AbstractRu complexes having N‐heterocyclic carbene (NHC) ligands, differing in the bulkiness of N‐aryl substituents and in the backbone substitution and/or configuration, are utilized in the ring‐opening metathesis polymerization (ROMP) of 7‐tert‐butoxybicyclo[2,2,1]hepta‐2,5‐diene (7‐TBONBD). The activity, regioselectivity, and stereoselectivity of the catalysts are investigated and rationalized considering the influence of the NHC ligand architectures of Ru complexes on the outcome of the polymerization. The reactivity order is influenced by bulky substituents at the nitrogen of the NHC ligand and by NHC‐backbone substitution. All of the catalysts give rise to living polymerizations and show high selectivity, producing highly syndiotactic polymers with 100% of anti‐units and, surprisingly, an elevated cis‐content (up to 88%).magnified image
Prevalence of selected genomic deletions and duplications in a French–Canadian population‐based sample of newborns
Authors: Tucker Tracy , Giroux Sylvie , Clément Valérie , Langlois Sylvie , Friedman Jan M. , Rousseau François 
Published: May 2013

AbstractChromosomal microarray analysis has identified many novel microdeletions or microduplications that produce neurodevelopmental disorders with a recognizable clinical phenotype and that are not observed in normal individuals. However, imbalance of other genomic regions is associated with a variable phenotype with intellectual disability (ID) or autism in some individuals but are also observed in completely normal individuals. Several large studies have reported the prevalence of copy number (CN) variants in people with particular features (e.g., ID, autism, schizophrenia, or epilepsy); few studies have investigated the prevalence of genomic CN changes in the general population. We used a high‐throughput method to screen 6813 consecutive cord blood samples from a predominantly French–Canadian population to assess genomic CN in five genomic regions: 1p36, 15q11‐q13, 16p11.2, 16p11.2‐p12.2, and 22q11.2. We identified one deletion and one duplication within 1p36, two deletions of 15q11‐q13, eight deletions of 16p11.2‐p12.2, two deletions and five duplications of 16p11.2, and six duplications of 22q11.2. This study provides estimates of the frequency of CN variants in an unselected population. Our findings have important implications for genetic counseling.
A Proposed Biosynthetic Pathway of Picrosides Linked through the Detection of Biochemical Intermediates in the Endangered Medicinal Herb Picrorhiza kurroa
Authors: Kumar Varun , Sood Hemant , Sharma Manu , Chauhan Rajinder Singh 
Published: May 2013

ABSTRACTIntroductionPicrorhiza kurroa Royle ex Benth is an important medicinal herb used in the preparation of several herbal drug formulations due to the presence of picroside‐I (P‐I) and picroside‐II (P‐II) along with other iridoid‐glucosides derivatives.ObjectiveThe endangered status of P. kurroa coupled with lack of information on biosynthesis of P‐I and P‐II necessitate deciphering the biosynthetic pathway for picrosides.MethodsLC with electrospray ionisation (ESI) and quadrupole time of flight combined with MS/MS was used to detect intermediates and assemble the picrosides biosynthetic pathway in P. kurroa.ResultsThe presence of catalpol and aucubin, the major backbone structures of picrosides, along with intermediate metabolites boschnaloside, bartsioside and mussaenosidic acid, was confirmed in ESI negative mode with pseudomolecular ion peaks, that is, m/z 361, m/z 343, m/z 345, m/z 329 and m/z 375 ions and their fragmentation patterns.ConclusionThe picrosides biosynthetic pathway is expected to provide a reliable platform towards understanding the molecular components (genes/enzymes) of P‐I and P‐II biosynthesis in P. kurroa for their eventual utilisation in various applications. Copyright © 2013 John Wiley & Sons, Ltd.
Identification of novel protein domains required for the expression of an active dehydratase fragment from a polyunsaturated fatty acid synthase
Authors: Oyola‐Robles Delise , Gay Darren C. , Trujillo Uldaeliz , Sánchez‐Parés John M. , Bermúdez Mei‐Ling , Rivera‐Díaz Mónica , Carballeira Néstor M. , Baerga‐Ortiz Abel 
Published: May 2013

AbstractPolyunsaturated fatty acids (PUFAs) are made in some strains of deep‐sea bacteria by multidomain proteins that catalyze condensation, ketoreduction, dehydration, and enoyl‐reduction. In this work, we have used the Udwary‐Merski Algorithm sequence analysis tool to define the boundaries that enclose the dehydratase (DH) domains in a PUFA multienzyme. Sequence analysis revealed the presence of four areas of high structure in a region that was previously thought to contain only two DH domains as defined by FabA‐homology. The expression of the protein fragment containing all four protein domains resulted in an active enzyme, while shorter protein fragments were not soluble. The tetradomain fragment was capable of catalyzing the conversion of crotonyl‐CoA to β‐hydroxybutyryl‐CoA efficiently, as shown by UV absorbance change as well as by chromatographic retention of reaction products. Sequence alignments showed that the two novel domains contain as much sequence conservation as the FabA‐homology domains, suggesting that they too may play a functional role in the overall reaction. Structure predictions revealed that all domains belong to the hotdog protein family: two of them contain the active site His70 residue present in FabA‐like DHs, while the remaining two do not. Replacing the active site His residues in both FabA domains for Ala abolished the activity of the tetradomain fragment, indicating that the DH activity is contained within the FabA‐homology regions. Taken together, these results provide a first glimpse into a rare arrangement of DH domains which constitute a defining feature of the PUFA synthases.
Compound Semiconductors
Authors: Krishna Sanjay , Plis Elena , Bhattacharya Pallab , Huffaker Diana 
Published: May 2013

AbstractThe present issue of physica status solidi contains papers presented at the 39th International Symposium on Compound Semiconductors (ISCS 2012) held in Santa Barbara on the UCSB campus, August 27–30, 2012. ISCS 2012 was colocated with the 24th International Conference on Indium Phosphide and Related Materials (IPRM 2012) during Compound Semiconductor Week (CSW 2012).CSW 2012 was kicked‐off with a joint plenary session. The four distinguished plenary speakers and the titles of their talks were William Deal, THz Integrated Circuits; John Geisz, III–V Semiconductors for High‐efficiency Multijunction Photovoltaics; Andrew Shields, Semiconductor Devices for Quantum Information Applications; Marc A. Taubenblatt, Optical Interconnects for Computer‐com. The opening session was followed by invited talks, contributed oral presentations, and poster presentations in both ISCS and IPRM. Also included in the technical program were two short courses and a rump session organized by IPRM.The week also included an awards session, an excursion to downtown Santa Barbara with wine tasting and the conference barbeque on Goleta beach.We extend our sincere thanks and appreciation to members of the Program Committees for their tireless efforts in assembling a high quality technical program and to members of the International Steering Committees and the UCSB Committee on Local Arrangements for their help. We also thank the exhibitors for their participation and support and gratefully acknowledge the support provided by the Office of Naval Research. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Modeling of monolayer adsorption of hydrogen on ZSM‐5 zeolite by lattice density functional theory
Authors: Du Xiaoming , Wu Erdong 
Published: May 2013

AbstractThe adsorption isotherms of hydrogen on microporous zeolite ZSM‐5, at supercritical conditions, have been modeled using the monolayer lattice density functional theory (LDFT) models, where the simple cubic lattice, face‐centered cubic lattice, body‐centered cubic lattice and tetragonal lattice structures are assumed for the arrangements of the adsorption sites inside pores based on the size and shape of the zeolite. The results indicate that the monolayer LDFT models appear to be effective in describing hydrogen adsorption on zeolite ZSM‐5 at supercritical conditions, and the calculated adsorption isotherms agree well with the experimental isotherms measured previously. The layer density of adsorbed phase is presented versus the bulk density and temperature. It is found that the densities of adsorbed phase on adsorbent surface are much higher than the bulk density for temperature range under study. However, in the core region, the layer densities are close to the bulk density. The monolayer adsorption is suitable for hydrogen on ZSM‐5 zeolite. Copyright © 2013 John Wiley & Sons, Ltd.
Photothermally Controlled Gene Delivery by Reduced Graphene Oxide–Polyethylenimine Nanocomposite
Authors: Kim Hyunwoo , Kim Won Jong 
Published: May 2013

AbstractExternally stimuli‐triggered spatially and temporally controlled gene delivery can play a pivotal role in achieving targeted gene delivery with maximized therapeutic efficacy. In this study, a photothermally controlled gene delivery carrier is developed by conjugating low molecular‐weight branched polyethylenimine (BPEI) and reduced graphene oxide (rGO) via a hydrophilic polyethylene glycol (PEG) spacer. This PEG–BPEI–rGO nanocomposite forms a stable nano‐sized complex with plasmid DNA (pDNA), as confirmed by physicochemical studies. For the in vitro gene transfection study, PEG–BPEI–rGO shows a higher gene transfection efficiency without observable cytotoxicity compared to unmodified controls in PC‐3 and NIH/3T3 cells. Moreover, the PEG–BPEI–rGO nanocomposite demonstrates an enhanced gene transfection efficiency upon NIR irradiation, which is attributed to accelerated endosomal escape of polyplexes augmented by locally induced heat. The endosomal escaping effect of the nanocomposite is investigated using Bafilomycin A1, a proton sponge effect inhibitor. The developed photothermally controlled gene carrier has the potential for spatial and temporal site‐specific gene delivery.
Plugging in and into code bubbles: the code bubbles architecture
Authors: Reiss Steven P. , Bott Jared N. , La Viola Joseph J. 
Published: May 2013

ABSTRACTCode Bubbles is an attempt to redefine the user interface for an integrated programming environment. As it represents a whole new user interface, implementing it as a plug‐in is inherently difficult. We get around this difficulty by combining two different plug‐in architectures, a standard one based on registrations and callbacks and a message‐based one that puts the plug‐in at arm's length and defines a narrower two‐way interface. This paper describes both how we have implemented Code Bubbles as a plug‐in to Eclipse and how Code Bubbles itself is implemented as a set of plug‐ins representing the different aspects of the environment, using both traditional and message‐based plug‐in architectures as appropriate. It also shows how the resultant architecture is flexible enough to support collaboration, different back ends, and a cloud‐based environment. Copyright © 2013 John Wiley & Sons, Ltd.
Reducing Rework by Applying Set‐Based Practices Early in the Systems Engineering Process
Authors: Kennedy Brian M. , Sobek Durward K. , Kennedy Michael N. 
Published: May 2013

AbstractRework that occurs late in the product life cycle is dramatically more expensive than design work performed early in the cycle. However, shifting traditional design work earlier in the design process so as to avoid rework later is difficult. A number of product development practices that have been characterized as a shift from developing a single‐point design to developing a set of possible designs have proven effective at reducing development rework. This paper refines the definitions of such “set‐based” development practices, which are aimed at early development phases, and shows how they can be applied to the systems engineering process in order to reduce or eliminate the root causes of rework. Examples from the Wright Brothers, Toyota, and several other companies are presented.
Synthesis, Spectroscopic, and Electrochemical Properties of Three Tetranuclear Ruthenium(II) Polypyridyl Complexes Based on 4,5‐Diazafluorene
Authors: Cheng Feixiang , He Chixian , Yin Hongju , Tang Ning , Hou Nengbang 
Published: May 2013

AbstractThree tetrapodal ligands 1,2,4,5‐tetrakis[4‐(4,5‐diazafluoren‐9‐ylimino)phenoxymethyl]benzene (L1), 1,2,4,5‐tetrakis[2‐(4,5‐diazafluoren‐9‐ylimino)phenoxymethyl]benzene (L2), and 1,2,4,5‐tetrakis[(4,5‐diazafluoren‐9‐ylimino)methyl]benzene (L3), and their corresponding RuII polypyridyl complexes [{Ru(bpy)2}4(μ4‐L1–3)](PF6)8 (bpy = 2,2′‐bipyridine) were synthesized and characterized. The spectroscopic behavior of the three complexes was investigated by UV/Vis absorption and emission spectroscopy. They display metal‐to‐ligand charge transfer (MLCT) absorptions at around 443 nm in CH3CN solution at room temperature, and emission at around 575 nm in EtOH/MeOH (4:1, v/v) glassy matrix at 77 K. Electrochemical studies of the three complexes show one RuII‐based oxidation at around 1.35 V and three ligand‐based reductions.
2‐Pyridylmetallocenes, Part V. Synthesis of Hydroxymethyl‐, Formyl‐, and Carboxy‐pyridylferrocene and Study of Their Cycloplatination Reactions. [Molecular Structures of [{C5H3R(2‐C5H4N)‐1, 2}FeCp] ­(R = CHO, COOH) and σ‐Pt[(C5H5)Fe{C5H2(2‐C5H4N)­(CH2OH)}]Cl (DMSO)
Authors: Sünkel Karlheinz , Budde Harald , Weigand Stefan 
Published: May 2013

AbstractLithiation of 2‐pyridylferrocene with n‐butyllithium followed by addition of paraformaldehyde, dimethylformamide, or solid CO2 gives the 1, 2‐disubstituted ferrocenes [{C5H3R(2‐C5H4N)}FeCp] [R = CH2OH (2), CHO (3), COOH (4)]. Treatment of these compounds with [PtCl2(DMSO)2] gives the cycloplatinated complexes σ‐Pt[{C5H2R(2‐C5H4N)}FeCp]Cl(DMSO) with R = CH2OH (5), CHO (6) and H, the latter one as the only isolable product of decomposition. The crystal and molecular structures of 3–5 were determined and show the importance of hydrogen‐bonds in these compounds, which leads to polymeric structures.
Synthesis and Structure of a Trinuclear Pd–Ag–Pd Carbene Acetato Complex
Authors: Micksch Maik , Herdtweck Eberhardt , Strassner Thomas 
Published: May 2013

AbstractWe describe the synthesis and the solid‐state structure of a trinuclear Pd–Ag–Pd carbene acetato complex. The structure was determined by single‐crystal X‐ray experiments [P21/n (no. 14) a = 12.0241(4), b = 25.7201(10), c = 21.3564(8) Å, β = 93.841(2)°, V = 6589.9(4) Å3, Z = 4, R1 = 0.0319, wR2 = 0.0721]. The complex consists of two palladium biscarbene units connected to a silver atom by bridging acetate ions with Pd–Ag bond lengths of 2.89 Å, which are shorter than the sum of the van der Waals radii. Additionally the 13C NMR shifts of the carbene carbon atoms indicate that a palladium silver interaction is present. The repeat unit in the unit cell contains one complex and an infinite chain of two water molecules, one acetic acid and one acetate ion. We show that the hydrogen bond between the complex and a water molecule is the reason for the distorted arrangement.
Molecular Characterization of a Lysophosphatidylcholine Acyltransferase Gene Belonging to the MBOAT Family in Ricinus communis L.
Authors: Arroyo‐Caro José María , Chileh Tarik , Alonso Diego López , García‐Maroto Federico 
Published: May 2013

AbstractAcyl‐CoA:lysophosphatidylcholine acyltransferase (LPCAT, EC 2.3.1.23) catalyzes acylation of lysophosphatidylcholine (lysoPtdCho) to produce phosphatidylcholine (PtdCho), the main phospholipid in cellular membranes. This reaction is a key component of the acyl‐editing process, involving recycling of the fatty acids (FA) mainly at the sn‐2 position of PtdCho. Growing evidences indicate that the LPCAT reaction controls the direct entry of newly synthesized FA into PtdCho and, at least in some plant species, it has an important impact on the synthesis and composition of triacylglycerols. Here we describe the molecular characterization of the single LPCAT gene found in the genome of Ricinus communis (RcLPCAT) that is homologous to LPCAT genes of the MBOAT family previously described in Arabidopsis and Brassica. RcLPCAT is ubiquitously expressed in all organs of the castor plant. Biochemical properties have been studied by heterologous expression of RcLPCAT in the ale1 yeast mutant, defective in lysophospholipid acyltransferase activity. RcLPCAT preferentially acylates lysoPtdCho against other lysophospholipids (lysoPL) and does not discriminates the acyl chain in the acceptor, displaying a strong activity with alkyl lysoPL. Regarding the acyl‐CoA donor, RcLPCAT uses monounsaturated fatty acid thioesters, such as oleoyl‐CoA (18:1‐CoA), as preferred donors, while it has a low activity with saturated fatty acids and shows a poor utilization of ricinoleoyl‐CoA (18:1‐OH‐CoA). These characteristics are discussed in terms of a possible role of RcLPCAT in regulating the entry of FA into PtdCho and the exclusion from the membranes of the hydroxylated FA.
A Chemometric Approach to Assess the Frying Stability of Cottonseed Oil Blends During Deep‐Frying Process: I. Polar and Polymeric Compound Analyses
Authors: Arslan Fatma Nur , Kara Huseyin , Ayyildiz Hamide Filiz , Topkafa Mustafa , Tarhan Ismail , Kenar Adnan 
Published: May 2013

AbstractThe main goal of the present study was (i) to determine the formation of degradation products in cottonseed oil (CSO) blends during deep frying process by adsorption and high performance size exclusion chromatography techniques and (ii) to evaluate the impacts of food additives on total polar (TPC) and polymeric compound (PTAG) formation using a chemometric approach. In order to prepare the frying CSO blends; ascorbic palmitate, mixed tocopherols, dimethylpolysiloxane, lecithin and sesame oils were used as additives. To determine the real impacts of additives, a quarter‐fraction factorial experimental design with two levels and five factors was used. The changes in TPC and PTAG data were carefully evaluated during 10 h of frying at 170 ± 5 °C with normal distribution (ND) graphs and analyzed using a one‐way analysis of variance (ANOVA), followed by Tukey's Post‐hoc test (α = 0.05). The results indicated that the increasing values for TPC and PTAG during the frying processes for all blends, TPC and PTAG contents reached maximum levels of 16.37 and 6.01 % respectively, which are below the limit values stated by official authorities for the quality assessment of frying oils. The ANOVA test results were in good agreement with ND graphs and data indicated that the impact of mixed tocopherols was significant for TPC formation, meanwhile the impact of lecithin and ascorbic palmitate × dimethylpolysiloxane were significant for PTAG formation. Thus, the present study should be considered to be a very useful guide for developing new frying oil formulations based on CSO by using food additives.
Insights into the Hadean Earth from Experimental Studies of Zircon
Authors: Trail Dustin , Watson E. Bruce , Tailby Nicholas D. 
Published: May 2013

Abstract
Geologists investigate the evolution of the atmosphere, crust, and mantle through time by direct study of the rock record. However, the Hadean eon (&gt;3.85 Ga) has been traditionally viewed as inaccessible due to the absence of preserved rocks. The discovery of &gt;4.0 Ga detrital zircons from Western Australia in the 1980s – coupled with the development of new micro-analytical capabilities – made possible new avenues of early Earth research. The prevailing view that emerged is that the early Earth may have contained a stable hydrosphere, water-saturated or (near water-saturated) granitic magmas, and volcanic emanations dominated by neutral gas species (e.g., CO2, H2O, and SO2). The Hadean Earth may have been capable of supporting life ∼200 Ma after accretion and perhaps earlier. Many of these models are formulated – or have been subsequently supported – by laboratory experiments of zircon. Important petrological variables such as temperature, pressure, oxygen fugacity, and component activities (e.g., SiO2/TiO2-activities) can be controlled. These experiments are fundamental for extrapolation to ‘deep time’ because they provide a means to understand primary chemistry preserved in ancient zircons. This review paper specifically focuses on zircon experimental studies (oxygen isotope fractionations, Ti-thermometry, and redox sensitive element incorporation into zircon), which have influenced our view of the very early Earth.
Features of Mineral and Chemical Composition of the Khamambettu Carbonatites, Tamil Nadu
Authors: Burtseva M. V. , Ripp G. S. , Doroshkevich A. G. , Viladkar S. G. , Varadan Rammohan 
Published: May 2013

Abstract
The paper presents mineralogical features and EPMA results of the Khamambettu carbonatites. The mineralogical data suggest that these rocks have been generated in magmatic and hydrothermal stages. Mineral geothermometer for carbonatite give temperatures of 790°-980°C. Fluid inclusion measurements in monazite (hydrothermal stage) give temperatures of 220°-290°C. One of the features of the carbonatites is high content of magnesia that is defined by the presence of dolomite, olivine, spinel, phlogopite, Mg-rich ilmenite. Chloritization, serpentinization, amphibolization, silicification processes and occurrence of barite, monazite-(Ce), strontianite, celestine are related to hydrothermal stage. Hydrothermal minerals at the Khamambettu were formed by recrystallization of primary carbonatite minerals in the presence of Ba, (SO4)2−, REE and Si carried in solution by the hydrothermal fluid.
Fossil Neocheilostomine Bryozoans from the Tertiary Rocks of Western Kachchh, Gujarat
Authors: Sonar M. A. , Gaikwad S.G. 
Published: May 2013

Abstract
Paper describes six species of neocheilostomine bryozoans occurring in the Middle Eocene-Early Miocene rocks of Western Kachchh, Gujarat, India. Taxa belong to the families Quadricellariidae Gordon, 1984, Vinculariidae Busk, 1852 and Poricellariidae, Harmer, 1926. Of these three species are new. These are Vincularia feddeni nov sp. Poricellaria waioriensis nov sp. and Poricellaria sakurkari nov sp. Two species, Nellia tenella (Lamarck, 1816) and Vincularia kutchensis (Tewari & Srivastava, 1967) already known from this region, are further reported here. Poricellaria complicata (Reuss, 1869)? is reported for the first time and indicates oldest record from India so far. Phylogenetic analysis using PAST programme indicates that Poricellariids and Vinculariids have not evolved from the same ancestor Nellia tenella (Lamarck, 1816)