bluuebunny/crossref_metadata_2025_split huggingface dataset:
CH–π and CF–π Interactions Lead to Structural Changes of N‐Heterocyclic Carbene Palladium Complexes
Authors: Xu Xiangya , Pooi Benjamin , Hirao Hajime , Hong Soon Hyeok 
Published: January 2014

AbstractThe role of CH–π and CF–π interactions in determining the structure of N‐heterocyclic carbene (NHC) palladium complexes were studied using 1H NMR spectroscopy, X‐ray crystallography, and DFT calculations. The CH–π interactions led to the formation of the cis‐anti isomers in 1‐aryl‐3‐isopropylimidazol‐2‐ylidene‐based [(NHC)2PdX2] complexes, while CF–π interactions led to the exclusive formation of the cis‐syn isomer of diiodobis(3‐isopropyl‐1‐pentafluorophenylimidazol‐2‐ylidene) palladium(II).
Patternable Large‐Scale Molybdenium Disulfide Atomic Layers Grown by Gold‐Assisted Chemical Vapor Deposition
Authors: Song Intek , Park Chibeom , Hong Misun , Baik Jaeyoon , Shin Hyun‐Joon , Choi Hee Cheul 
Published: January 2014

AbstractA novel way to grow MoS2 on a large scale with uniformity and in desired patterns is developed. We use Au film as a catalyst on which [Mo(CO)6] vapor decomposes to form a Mo‐Au surface alloy that is an ideal Mo reservoir for the growth of atomic layers of MoS2. Upon exposure to H2S, this surface alloy transforms into a few layers of MoS2, which can be isolated and transferred on an arbitrary substrate. By simply patterning Au catalyst film by conventional lithographic techniques, MoS2 atomic layers in desired patterns can be fabricated.
Protein products obtained by site‐preferred partial crosslinking in protein crystals and “liberated” by redissolution
Authors: Buch Michal , Wine Yariv , Dror Yael , Rosenheck Sonia , Lebendiker Mario , Giordano Rita , Leal Ricardo M.F. , Popov Alexander N. , Freeman Amihay , Frolow Felix 
Published: January 2014

ABSTRACTThe use of protein crystals as a source of nanoscale biotemplates has attracted growing interest in recent years owing to their inherent internal order. As these crystals are vulnerable to environmental changes, potential applications require their stabilization by chemical crosslinking. We have previously shown that such intermolecular chemical crosslinking reactions occurring within protein crystals are not random events, but start at preferred crosslinking sites imposed by the alignment of protein molecules and their packing within the crystalline lattice. Here we propose a new working hypothesis and demonstrate its feasibility in enabling us to extricate homogeneous populations of single protein molecules that display chemical point mutations or of dimers that show homogeneous chemical crosslinking, and that have the potential for isolation of higher structures. Characterization of the crosslinking mechanism and its end products opens the way to the potential retrieval of such specific modified/intermolecular crosslinked products simply by effecting partial crosslinking at identified preferred sites, followed by time‐controlled arrest of the crosslinking reaction and dissolution of the crystals by medium exchange complemented by chromatographic purification. Biotechnol. Bioeng. 2014;111: 1296–1303. © 2014 Wiley Periodicals, Inc.
Simultaneous stereoselective analysis of naftopidil and O‐desmethyl naftopidil enantiomers in rat feces using an online column‐switching high‐performance liquid chromatography method
Authors: Zhang Yun‐Ying , Liu Xia‐Wen , Zhu Li‐Jun , Yuan Mu 
Published: January 2014

ABSTRACTA novel online column‐switching chiral high‐performance liquid chromatography method was developed and validated for the simultaneous determination of naftopidil (NAF) and its O‐desmethyl metabolites (DMN) enantiomers in rat feces. Direct and multiple injections of supernatant from rat feces homogenate were allowed through the column‐switching system. Analyte extraction was performed on the Capcell Pak mixed‐functional column by acetonitrile–phosphate buffer (pH 7.4; 10 mm; 8:92, v/v) flowing at 1 mL/min. Separation of NAF and DMN enantiomers was achieved on the Chiralpak IA column by methanol–acetonitrile–acetate buffer (pH 5.3; 5 mm; 45:33:22, v/v/v) flowing at 0.5 mL/min. The analytes were measured with a fluorescence detector at 290 nm (λex) and 340 nm (λem). The validated method showed a good linearity [22.5–15,000 ng/mL for (+)‐/(−)‐NAF; 35–25,000 ng/mL for (+)‐/(−)‐DMN] and the lowest limits of quantification for NAF and DMN enantiomers were 22.5 and 35 ng/mL, respectively. Both intra‐ and inter‐day variations were <10%. The assay was successfully applied to the fecal excretion of NAF and DMN enantiomers in rat after single oral administration of (±)‐NAF. Nonstereoselective excretion of (+)‐ and (−)‐NAF was found in feces, while stereoselective excretion of (+)‐ and (−)‐DMN was observed with higher excretion levels of (+)‐DMN, indicating that there may exist stereoselective metabolism for NAF enantiomers. Copyright © 2014 John Wiley & Sons, Ltd.
Development of a method for the determination of cefovecin in plasma by HPLC
Authors: Cox Sherry , Martin Ali , Hamill Mallery , Pistole Nealy , Steeil James , Schumacher Juergen 
Published: January 2014

ABSTRACTA simple high‐performance liquid chromatography method for the determination of cefovecin in small volume plasma has been developed. Following solid‐phase extraction using Oasis HLB cartridges, samples were separated by reverse‐phase high‐performance liquid chromatography on an XBridge C8 (3.5 µm) 4.6 × 250 mm column and quantified using ultraviolet detection at 280 nm. The mobile phase was a mixture of 10 mm ammonium acetate (pH 3.5) and acetonitrile (89:11), with a flow rate of 0.85 mL/min. The standard curve ranged from 0.1 to 200 µg/mL. Intra‐ and Inter‐assay variability for cefovecin was <10%, and the average recovery was >90%. The lower limit of quantitation was 0.1 µg/mL. This method was successfully applied to the analysis of cefovecin samples at our institution. This is also the first fully validated method with an internal standard that does not use mass spectrometry. Copyright © 2014 John Wiley & Sons, Ltd.
Neural substrates of socioemotional self‐awareness in neurodegenerative disease
Authors: Sollberger Marc , Rosen Howard J. , Shany‐Ur Tal , Ullah Jerin , Stanley Christine M. , Laluz Victor , Weiner Michael W. , Wilson Stephen M. , Miller Bruce L. , Rankin Katherine P. 
Published: January 2014

AbstractBackgroundNeuroimaging studies examining neural substrates of impaired self‐awareness in patients with neurodegenerative diseases have shown divergent results depending on the modality (cognitive, emotional, behavioral) of awareness. Evidence is accumulating to suggest that self‐awareness arises from a combination of modality‐specific and large‐scale supramodal neural networks.MethodsWe investigated the structural substrates of patients' tendency to overestimate or underestimate their own capacity to demonstrate empathic concern for others. Subjects' level of empathic concern was measured using the Interpersonal Reactivity Index, and subject‐informant discrepancy scores were used to predict regional atrophy pattern, using voxel‐based morphometry analysis. Of the 102 subjects, 83 were patients with neurodegenerative diseases such as behavioral variant frontotemporal dementia (bvFTD) or semantic variant primary progressive aphasia (svPPA); the other 19 were healthy older adults.ResultsbvFTD and svPPA patients typically overestimated their level of empathic concern compared to controls, and overestimating one's empathic concern predicted damage to predominantly right‐hemispheric anterior infero‐lateral temporal regions, whereas underestimating one's empathic concern showed no neuroanatomical basis.ConclusionsThese findings suggest that overestimation and underestimation of one's capacity for empathic concern cannot be interpreted as varying degrees of the same phenomenon, but may arise from different pathophysiological processes. Damage to anterior infero‐lateral temporal regions has been associated with semantic self‐knowledge, emotion processing, and social perspective taking; neuropsychological functions partly associated with empathic concern itself. These findings support the hypothesis that—at least in the socioemotional domain—neural substrates of self‐awareness are partly modality‐specific.
Acetylcholine Promotes Binding of α‐Conotoxin MII at α3β2 Nicotinic Acetylcholine Receptors
Authors: Sambasivarao Somisetti V. , Roberts Jessica , Bharadwaj Vivek S. , Slingsby Jason G. , Rohleder Conrad , Mallory Chris , Groome James R. , McDougal Owen M. , Maupin C. Mark 
Published: January 2014

Abstractα‐Conotoxin MII (α‐CTxMII) is a 16‐residue peptide with the sequence GCCSNPVCHLEHSNLC, containing Cys2–Cys8 and Cys3–Cys16 disulfide bonds. This peptide, isolated from the venom of the marine cone snail Conus magus, is a potent and selective antagonist of neuronal nicotinic acetylcholine receptors (nAChRs). To evaluate the impact of channel–ligand interactions on ligand‐binding affinity, homology models of the heteropentameric α3β2‐nAChR were constructed. The models were created in MODELLER with the aid of experimentally characterized structures of the Torpedo marmorata‐nAChR (Tm‐nAChR, PDB ID: 2BG9) and the Aplysia californica‐acetylcholine binding protein (Ac‐AChBP, PDB ID: 2BR8) as templates for the α3‐ and β2‐subunit isoforms derived from rat neuronal nAChR primary amino acid sequences. Molecular docking calculations were performed with AutoDock to evaluate interactions of the heteropentameric nAChR homology models with the ligands acetylcholine (ACh) and α‐CTxMII. The nAChR homology models described here bind ACh with binding energies commensurate with those of previously reported systems, and identify critical interactions that facilitate both ACh and α‐CTxMII ligand binding. The docking calculations revealed an increased binding affinity of the α3β2‐nAChR for α‐CTxMII with ACh bound to the receptor, and this was confirmed through two‐electrode voltage clamp experiments on oocytes from Xenopus laevis. These findings provide insights into the inhibition and mechanism of electrostatically driven antagonist properties of the α‐CTxMIIs on nAChRs.
A continuum model for platelet plug formation and growth
Authors: Storti F. , van Kempen T.H.S. , van de Vosse F.N. 
Published: January 2014

SUMMARYWhen the wall of a blood vessel is damaged, the immediate response of the body to prevent blood loss is the creation of a platelet plug. The process is both chemical (platelets are chemically activated to adhere to the injured wall) and mechanical (platelets are convected by blood flow, which interacts with the forming plug). A continuum model for platelet plug formation and growth is presented in this work, which allows to study the interaction between platelet plug morphology and local haemodynamics. The numerical framework consists of two parts: a biochemical model combined with a new plug growth model. The biochemical model is a system of convection–diffusion–reaction equations, each of which represents the dynamics of platelets and chemicals involved in the plug formation process. The plug growth model defines the plug interface displacement based on the outcome of the biochemical model, that is, on the number of deposited bounded platelets on the injured part of the vessel wall. Results for different cases are shown, together with a comparison between the sole biochemical model and the complete model that includes plug growth. The framework opens the way to the development of continuum models for full blood clot formation and growth in physiologically relevant configurations.Copyright © 2014 John Wiley & Sons, Ltd.
A randomized controlled trial of motivational interviewing + self‐help versus psychoeducation + self‐help for binge eating
Authors: Vella‐Zarb Rachel A. , Mills Jennifer S. , Westra Henny A. , Carter Jacqueline C. , Keating Leah 
Published: January 2014

ABSTRACTObjectiveMotivational Interviewing (MI) is a collaborative therapy that focuses on strengthening a person's internal motivation to change. Research suggests that MI may be helpful for treating binge eating; however, findings are limited and little is known about how MI for binge eating compares to active therapy controls. The present study aimed to build on current research by comparing MI as a prelude to self‐help treatment for binge eating with psychoeducation as a prelude to self‐help treatment for binge eating.MethodParticipants with full or subthreshold DSM‐IV Binge Eating Disorder or nonpurging Bulimia Nervosa were randomly assigned to receive either 60 minutes of MI followed by a self‐help manual (n = 24) or 60 minutes of psychoeducation followed by a self‐help manual (n = 21). Questionnaires were completed pre‐ and postsession, and at 1 and 4 months postsession.ResultsMI significantly increased readiness to change and confidence in ability to control binge eating, whereas psychoeducation did not. No group differences were found when changes in eating disorder attitudes and behaviors were examined.DiscussionMI offers benefits for increasing motivation and self‐efficacy. However, it may not be a uniquely effective treatment approach for reducing binge eating. © 2014 Wiley Periodicals, Inc. (Int J Eat Disord 2015; 48:328–332)
PI3K/PTEN/AKT/mTOR polymorphisms: Association with clinical outcome in patients with head and neck squamous cell carcinoma receiving cetuximab‐docetaxel
Authors: Pfisterer Katharina , Fusi Alberto , Klinghammer Konrad , Knödler Maren , Nonnenmacher Anika , Keilholz Ulrich 
Published: January 2014

BackgroundThe purpose of this study was to determine whether single nucleotide polymorphisms (SNPs) in AKT1, AKT2, FRAP1, PIK3CA, and PTEN were associated with treatment response and clinical outcome in patients with head and neck squamous cell carcinoma (HNSCC).MethodsGenomic DNA was extracted from formalin‐fixed tissue of 45 patients with recurrent or initially metastatic HNSCC, and SNPs were genotyped by means of real‐time polymerase chain reaction (PCR) system or direct sequencing.ResultsThe AKT2:rs8100018 and the PTEN:rs12569998 homozygous variants resulted as associated with an increased risk of progression (hazard ratio [HR], 4.83; 95% confidence interval [CI], 1.11–21.03; and HR, 2.36; 95% CI, 1.24–4.50, respectively). An additive effect on risk of progression was observed. The AKT2:rs8100018 homozygous variant was significantly associated with a higher risk of death (HR, 3.57; 95% CI, 1.06–12.00), whereas the presence of at least one variant allele of AKT1:rs3803304 was associated with a lower risk of death (HR, 0.51; 95% CI, 0.27–0.97).ConclusionWe identified combined genotypes associated with outcome of HNSCC, which might have an impact for identification of a target population for cetuximab‐docetaxel treatment. Results should be considered as an initial finding and warrant validation in larger clinical trials. © 2014 Wiley Periodicals, Inc. Head Neck 37: 471–478, 2015
The Number of Cyclic Configurations of Type (v3) and the Isomorphism Problem
Authors: Koike Hiroki , Kovács István , Pisanski Tomaž 
Published: January 2014

AbstractA configuration of points and lines is cyclic if it has an automorphism that permutes its points in a full cycle. A closed formula is derived for the number of nonisomorphic connected cyclic configurations of type (v3), i.e. which have v points and lines, and each point/line is incident with exactly three lines/points. In addition, a Bays–Lambossy type theorem is proved for cyclic configurations if the number of points is a product of two primes or a prime power.
Prenatal ultrasonographic diagnosis of generalized arterial calcification of infancy
Authors: Corbacioglu Esmer Aytul , Kalelioglu Ibrahim , Omeroglu Rukiye Eker , Kayserili Hulya , Gulluoglu Mine , Has Recep , Yuksel Atıl 
Published: January 2014

ABSTRACTA healthy 19‐year‐old nulliparous pregnant woman was referred to our clinic because of fetal pericardial effusion and ascites. The sonographic examination performed at 28 weeks' gestation revealed scalp edema, severe skin edema, bilateral hydrocele, ascites, and pleural and pericardial effusion. Fetal echocardiographic examination showed that both ventricles were dilated with severely depressed contractility. The aortic annulus, ascending aorta, aortic arch, descending aorta, common iliac arteries, main pulmonary artery, tricuspid valve, and mitral chordae tendinae were hyperechogenic. Right ventricular outflow tract was narrow with decreased blood flow. There was tricuspid and mitral valve regurgitation and tricuspid valve stenosis. On the basis of these findings, we made the diagnosis of generalized arterial calcification, which is characterized by extensive calcification of internal elastic lamina and intimal proliferation of medium‐sized and large arteries. This diagnosis was confirmed histologically after the termination of pregnancy. © 2014 Wiley Periodicals, Inc. J Clin Ultrasound 43:50–54, 2015
Resegmentation in the mexican axolotl, Ambystoma mexicanum
Authors: Piekarski Nadine , Olsson Lennart 
Published: January 2014

ABSTRACTCover illustration. In amniotes, single vertebrae derive from the sclerotomes of two adjacent somites. However this process of resegmentation is poorly studied in anamniotes. In this issue of the Journal of Morphology, Piekarski and Olsson (pp. 141–152) provide experimental evidence that resegmentation occurs in a species of amphibian. Their results now provide evidence for wider generality of the resegmentation process across vertebrates. The cover image shows a scanning electron micrograph of an axolotl embryo at early tailbud stage. The epidermis has been removed from the left side of the embryo to reveal underlying structures. Cells of the cranial neural crest (marked green) migrate ventrally in distinct streams. The paraxial mesoderm in the dorsal trunk region is segmented into somites, which give rise to vertebrae by resegmentation.
Interference by Nitrous Acid Decomposition in the Kinetic Study of Nitrosation Reactions
Authors: Arenas‐Valgañón Jorge , Gómez‐Bombarelli Rafael , González‐Pérez Marina , González‐Jiménez Mario , Calle Emilio , Casado Julio 
Published: January 2014

ABSTRACTUnder the acidic conditions of the stomach lumen, nitrosation reactions can occur in the human body between nitrite (added to meat because of its antibotulinic properties) and many compounds such as amino acids. From the results obtained, two conclusions can be drawn: (i) In the quantitative study of nitrosation reactions, it is necessary to take into account the competing reaction of HNO2 decomposition, which in some conditions is the dominant reaction; (ii) two alternative approaches based on the initial rate method are necessary to assess the weight of nitrous acid decomposition using taurine and homotaurine as nitrosatable substrates. In strongly acidic media, the decomposition reaction is dominant: In the case of taurine, the decomposition rate is negligible at pH ≥ 3.2. In the pH 3.2−2.5 range, decomposition is lower than nitrosation but not negligible, and at pH ≤ 2.5 decomposition is faster than nitrosation. With homotaurine, HNO2 decomposition is negligible at pH higher than 4.1. In the pH 4.1−2.8 range, nitrosation is faster but decomposition should be considered, and at pH ≤ 2.8 decomposition is the dominant reaction.
Flame‐Retardant Polypropylene/Multiwall Carbon Nanotube Nanocomposites: Effects of Surface Functionalization and Surfactant Molecular Weight
Authors: He Qingliang , Yuan Tingting , Yan Xingru , Ding Daowei , Wang Qiang , Luo Zhiping , Shen Tom D. , Wei Suying , Cao Dapeng , Guo Zhanhu 
Published: January 2014

Flame‐retardant polypropylene (PP)/carbon nanotubes (CNTs) nanocomposites influenced by surface functionalization and surfactant molecular weights are studied. 3‐Aminopropyl‐triethoxysilane (APTES) is utilized to modify the CNTs (f‐CNTs), and maleic‐anhydride‐grafted PP (MAPP) with two molecular weights ( of 800 and 8000 g mol−1) is used to further improve the dispersion of f‐CNTs in the PP matrix. Thermal gravimetric analysis (TGA) and microscale combustion calorimetry (MCC) reveal that the molecular weight of MAPP directly affects the thermal stability and flammability of PP/f‐CNTs PNCs: both MAPP polymers ( of 800 and 8000 g mol−1) increase the thermal stability of PP; however, the heat release rate of PP/f‐CNTs is reduced in the presence of MAPP ( of 800 g mol−1) and increased in the presence of MAPP ( of 8000 g mol−1). MAPP ( of 800 g mol−1) also results in a lower viscosity of the PP/f‐CNTs PNCs compared with pure PP.
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Contingent Self‐Esteem, Self‐Presentational Concerns, and Compulsive Buying
Authors: Roberts James A. , Manolis Chris , Pullig Chris 
Published: January 2014

ABSTRACTThe present study investigates the influence of contingent self‐esteem (CSE) on compulsive buying tendencies. It is argued that this influence is mediated by the self‐presentational concerns of fear of negative evaluation (FNE) and the importance of social identity (SI). These core propositions are tested using a multimethod approach that includes a survey of 402 US adults and two experiments with 160 and 243 subjects, respectively. Survey results find that CSE's impact on compulsive buying is fully mediated by FNE and SI. The two experiments deepen understanding of this effect. Only under high levels of anxiety do those high in CSE exhibit compulsive buying. High CSE leads to higher FNE and SI regardless of anxiety levels, but only at high anxiety levels do FNE and SI lead to compulsive buying. The study's results increase understanding of the role and process by which CSE impacts compulsive buying in adults of all ages.
How assumed composition affects the interpretation of satellite observations of volcanic ash
Authors: Mackie Shona , Millington Sarah , Watson I. M. 
Published: January 2014

ABSTRACTThe monitoring of volcanic ash in the atmosphere by satellite‐borne instruments is highly important for generation of warnings of potential ash hazards to aviation, and to constraining model predictions of an ash cloud's anticipated evolution. The high economic cost of flight restrictions creates a demand for precise monitoring and forecasting; however, no scientific product can be considered precise unless presented with a robust estimate of its associated uncertainty. Data from infrared sensors are focused on, as these monitor the atmosphere both day and night. Most methods for the detection of ash, and the retrieval of its properties, rely on forward modelling to estimate the ash signal at the satellite. This requires assumptions to be made about the ash composition in order to constrain its optical properties as represented in a radiative transfer model. Ash composition may change through the course of an eruption, and is often unknown for new eruptions. Even in cases where the composition of the ash can be sampled, it is unlikely that it is homogeneous enough to match the composition of any of the available optical property datasets exactly (which properties are required for radiative transfer modelling). This often necessary assumption can affect the observed ash signal by an amount that varies with cloud altitude, thickness, and concentration from a few percent to 17.7% for the highest ash concentration examined in this study. This has implications for methods that rely on forward modelling of ash observations, and for the interpretation of real ash observations when ash composition is unknown.