bluuebunny/crossref_metadata_2025_split huggingface dataset:
Absorption and Phosphorescence Spectra of Xanthone: Dimer and Tetramer Formations at Low Temperatures
Authors: Hoshi Toshihiko , Okubo Jun , Sakaguchi Yoshikazu , Kobayashi Michio , Inoue Hiroyasu 
Published: July 2012

AbstractAbsorption spectra of xanthone have been measured in polyethylene film, a 1:1 mixture of methanol and ethanol, a 1:1 mixture of methylcyclohexane and isopentane (MP) at various temperatures. It is found that xanthone forms dimer and tetramer in MP at low temperatures. As for the dimer, phosphorescence and its excitation spectra have been observed. From comparison of the observed and the MO calculated results, assignment of the electronic bands has been made. The 0‐0 bands of the first electronic transitions of monomer, dimer, and tetramer in MP are at 334.6 nm (room temperature), 346.7 nm (132 K), and 357.7 nm (101 K), respectively. The structure of the dimer is considered to be a C2 sandwich type.
The Electric Field Gradients at the Nitrogen and Chlorine Sites in 1,2,4,5‐Tetrachloro‐3,6‐Dinitrobenzene and 1,3,5‐Trichloro‐2,4‐Dinitrobenzene. A 14N NMR and 35Cl NQR Single Crystal Study
Authors: Wigand Silvia , Weiden Norbert , Weiss Alarich 
Published: July 2012

Abstract35Cl and 14N nuclear quadrupole coupling tensors were determined at 295 K for 1,2,4,5‐tetrachloro‐3,6‐dinitrobenzene and 1,3,5‐trichloro‐2,4‐dinitrobenzene. The Zeeman split single crystal 35Cl NQR gives the quadrupole coupling constant e2qQh−1(35Cl) = 76.937(4) MHz and the asymmetry parameter η(35Cl) = 0.1207(5) for 1,2,4,5‐tetrachloro‐3,6‐dinitrobenzene, and e2qQh−1(35Cl(1)) = 74.672(6) MHz, η(35Cl(1)) = 0.1097 (10), e2qQh−1(35Cl(3)) = 77.167(6) MHz, η(35Cl(3)) = 0.0969(20), e2qQh−1(35Cl(5)) = 74.422(6) MHz, η(35Cl(5)) = 0.1143(10) for 1,3,5‐trichloro‐2,4‐dinitrobenzene. By high field NMR e2qQh−1(14N) and η(14N) were determined at 295 K. For 1,2,4,5‐tetrachloro‐3,6‐dinitrobenzene it is found e2qQh−1(14N) = 0.757(2) MHz, η(14N) = 0.025(3). Φzz(14N) deviates from the bond direction C  N by about 3.3°, Φxx is parallel to the benzene ring plane. For 1,3,5‐trichloro‐2,4‐dinitrobenzene it is found: e2qQh−1(14N(2)) = 0.722(2) MHz. Φ(14N(2)) = 0.069(3), e2qQh−1(14N(4)) = 0.738(2) MHz, Φ(14N(4)) = 0.064(3). Φzz(14N(2)) and Φzz(14N(4)) nearly coincide with the corresponding C  N bond directions. Φxx(14N(4)) is nearly parallel to the benzene ring plane, whereas Φxx(14N(2)) is twisted about 18° against the ring plane.The relation between the twist angle α and the asymmetry parameter of the 14N electric field gradient is discussed.
Optical High Resolution Studies of Adsorbed and Matrixdoped Oxazine Dyes
Authors: Basché Th. , Sauter B. , Bräuchle Ch. 
Published: July 2012

AbstractFluorescence excitation and line narrowing spectra of oxazine dyes adsorbed on porous silica gels show maintenance of vibrational structure and small shifts in electronic absorption when compared to the spectra of the same molecules embedded in an ethanol glass. Persistent spectral holes burnt into the longwavelength tail of the S0—S1 absorption of the adsorbed species are broader than in bulk. This phenomenon is thought to be caused by low frequency adsorbate motions of the adsorbed molecules.
The Phase Diagram of the Cesium/Cesium Bromide System
Authors: Grob W. , Schmutzler R. W. 
Published: July 2012

AbstractThe phase diagram of the Cs/CsBr system has been determined by differential thermal analysis. The results show complete miscibility of Cs and CsBr in the liquid phase and no indication of any noteworthy solubility of cesium in crystalline CsBr. The shape of the liquidus line indicates a clear demixing tendency in the liquid phase as is expected in analogy to the other alkali metal/alkali halide systems.
Polycrystalline Boron Phosphide Semiconductor Electrodes
Authors: Goossens A. , Kelder E. M. , Schoonman J. 
Published: July 2012

AbstractThin films of polycrystalline boron phosphide (BP) are obtained by using conventional thermally activated chemical vapor deposition. BBr3 and PBr3 are used as reactants and BP is formed at 940°C in a H2 environment. A rough black layer is obtained on alumina substrates. All films are n‐type with a high donor density. (Photo‐) current‐voltage curves are presented. The transient photocurrent response and the presence of a substantial photocurrent at subbandgap illumination strongly suggests the presence of a high density of surface states. Impedance spectra of the unilluminated electrode could be modelled adequately with an equivalent circuit. Numerical values of the space charge capacitance were obtained at anodic potentials. The flatband potential was determined from Mott‐Schottky plots, and appeared to depend strongly on the electrolyte pH. The flatband potential of BP is (+0.182 – 0.073 pH) V vs. SHE. This value is not concordant with reported theoretical predictions based on atomic electronegativities.
Bimolecular Reactions of Fluorine Atoms with CH3I and CH2I2
Authors: Wörsdörfer U. , Heydtmann H. 
Published: July 2012

AbstractA fast flow reactor with a differentially pumped, double cone molecular beam inlet system into a quadrupole mass spectrometer is described. The total rate constants of the reactions F + CH3I,k2= (1.68 ± 0.3) · 10−10cm3s−1and F + CH2I2, k3= (2.0±0.2)· 10−10cm3s−1were measured at room temperature in this apparatus. The branching ratios for the HF and IF forming channels were determined in each case and consecutive processes are discussed.
Rotator cuff muscles perform different functional roles during shoulder external rotation exercises
Authors: Tardo Daniel T. , Halaki Mark , Cathers Ian , Ginn Karen A. 
Published: July 2012

AbstractThe aim of this study was to compare activity in shoulder muscles during an external rotation task under conditions of increasing arm support to investigate whether changing support requirements would influence muscle recruitment levels, particularly in the rotator cuff (RC) muscles. Electromyographic recordings were collected from seven shoulder muscles using surface and indwelling electrodes. The dominant shoulder of 14 healthy participants were examined during dynamic shoulder external rotation performed at 90° abduction with the arm fully supported, partially supported, and unsupported. Linear regressions between arm support load and the averaged muscle activity across participants for each muscle showed infraspinatus predominantly contributing to rotating the shoulder whilst supraspinatus, deltoid, upper trapezius, and serratus anterior were predominantly functioning in support/stabilization roles. During dynamic shoulder external rotation in mid‐range abduction, the RC muscles perform different functional roles. Infraspinatus is responsible for producing external rotation torque, supraspinatus is playing a larger joint stabilizer role, and subscapularis is contributing minimally to joint stability. The results also indicate that increasing support load requirements during an external rotation task may be a functionally specific way to retrain the stabilization function of axioscapular muscles. Manipulating joint stabilization requirements while maintaining constant rotational load is a novel method of investigating the differential contribution of muscles to joint movement and stabilization during a given task. Clin. Anat. 2013. © 2012 Wiley Periodicals, Inc.
It's good for me: It has added fibre! An exploration of the role of different categories of functional foods in consumer diets
Authors: Cornish Lara Spiteri 
Published: July 2012

ABSTRACTThis study extends extant research by examining the impetus behind the consumption of both nutritionally rich and nutritionally poor functional foods. It uses diaries and in‐depth interviews and demonstrates that nutritionism theory, that is, where focus shifts from base food products to their constituent nutrients, is central to consumers' perception and consumption of functional foods. An unfortunate consequence is that consumers are unable to distinguish between nutritionally rich and nutritionally poor functional foods, believing instead the health claims of both. Nutritionally poor foods are often as unhealthy and calorific as nonfortified alternatives, and thus this consumption behaviour can have a negative impact on consumer well‐being. This is exacerbated by functional foods being used to boost unhealthy diets as an alternative to more substantial dietary overhaul and being habitually used as substitutes for healthy foods such as fruits and vegetables. Finally, this article reveals that theories of guilt and justification can and should be applied to the consumption of functional foods because many consumers often use functional foods and the nutrients therein to assuage any guilt resultant from unhealthy eating patterns. This study has important implications for nutrition policies. It illustrates the necessity of educating consumers about (i) what constitutes a healthy diet and (ii) the role of nutrients as building blocks in healthy diets, highlighting the importance of choosing appropriate sources for these nutrients. This should enable them to make healthier dietary choices and reduce their propensity to use functional foods as a quick fix to unhealthy eating patterns. Copyright © 2012 John Wiley & Sons, Ltd.
Service recovery following dysfunctional consumer participation
Authors: Hibbert Sally A. , Piacentini Maria G. , Hogg Margaret K. 
Published: July 2012

ABSTRACTThis article introduces the notion of dysfunctional consumer participation. It advances a theoretical model of service recovery for contexts in which the smooth functioning of a service has been disrupted by consumers' dysfunctional contributions, founded on justice theory and cognitive appraisal theory. The model presents perceived justice as the core element of the evaluation of service recovery encounters. Stressful appraisal evokes emotions in consumers and influences the cooperative or resistant nature of consumer participation in service recovery processes directly and indirectly via its impact on consumers' emotions. Dysfunctional consumer participation is represented as an interactional process in which resistant consumer participation in service recovery provokes an adaptive response from service providers. Outcomes of the service recovery process for consumers and organisations are outlined. The contribution of this work lies in the domain of transformative consumer research, and our proposed framework enables managers with commercial (e.g., customer retention, sales) and social responsibilities (e.g., staff stress, consumer welfare) to analyse situations in which consumers' actions have disrupted the smooth functioning of services and consider strategies to restore workable relationships with them. Copyright © 2012 John Wiley & Sons, Ltd.
Enantioselective Addition of Cyclic Enol Silyl Ethers to 2‐Alkenoyl‐Pyridine‐N‐Oxides Catalysed by CuII–Bis(oxazoline) Complexes
Authors: Livieri Alessandro , Boiocchi Massimo , Desimoni Giovanni , Faita Giuseppe 
Published: July 2012

AbstractAsymmetric reactions involving (E)‐3‐aryl‐1‐(pyridin‐2‐yl‐N‐oxide)prop‐2‐en‐1‐ones and cyclic enol silyl ethers show good yields and excellent enantioselectivities (up to 99.9 % ee) when catalysed by bis(oxazoline)–CuII complexes. Different reaction pathways can be followed by different enol silyl ethers: with 2‐(trimethylsilyloxy)furan, a Mukaiyama–Michael adduct is obtained, whereas a hetero Diels–Alder cycloadduct was formed by using (1,2‐dihydronaphthalen‐4‐yloxy)trimethylsilane. In the latter reaction, the absolute configuration of the product is consistent with a reagent approach to the less hindered Re face of the coordinated substrate in the reactive complex.
Dialane with a Redox‐Active Bis‐amido Ligand: Unique Reactivity towards Alkynes
Authors: Fedushkin Igor L. , Moskalev Mikhail V. , Lukoyanov Anton N. , Tishkina Alexandra N. , Baranov Evgenii V. , Abakumov Gleb A. 
Published: July 2012

AbstractThe treatment of 1,2‐bis[(2,6‐diisopropylphenyl)imino]acenaphthene (dpp‐bian) with one equivalent of AlCl3 and three equivalents of sodium in toluene at 110 °C produced a stable dialane, (dpp‐bian)AlAl(dpp‐bian) (1). The reaction of compound 1 with pyridine gave Lewis‐acid–base adduct (dpp‐bian)(Py)AlAl(Py)(dpp‐bian) (2). Acetylene and phenylacetylene reacted with compound 1 to give cycloaddition products [dpp‐bian(R1R2)]AlAl[(R2R1)dpp‐bian] (3: R1=R2=CH; 4: R1=CH, R2=CPh). These addition reactions occur across Al‐N‐C moieties and result in the formation of new CC and CAl bonds. At elevated temperatures, compound 4 rearranges into complex 5, which consists of a radical‐anionic dpp‐bian ligand and two bridging alken‐1,2‐diyl moieties, (dpp‐bian)Al(HCCPh)2Al(dpp‐bian). This transformation is accompanied by cleavage of the dpp‐bian‐ligand–alkyne CC bond, as well as of the AlAl bond. In contrast to its analogous gallium complex, compound 1 is reactive towards internal alkynes. In the reaction of compound 1 with PhCCMe, besides symmetrical addition product [dpp‐bian(R1R2)]AlAl[(R2R1)dpp‐bian] (R1=CMe, R2=CPh; 6), monoadduct [dpp‐bian(R1R2)]AlAl(dpp‐bian) (R1=CMe, R2=CPh; 7) was also isolated. Complexes 1–7 were characterized by IR, 1H NMR (1–4), and electronic absorption spectroscopy (3–5); the molecular structures of compounds 1–7 were determined by single‐crystal X‐ray diffraction.
Synthesis, Coupling, and Condensation Reactions of 1,2‐Diborylated Benzenes: An Experimental and Quantum‐Chemical Study
Authors: Seven Ömer , Qu Zheng‐Wang , Zhu Hui , Bolte Michael , Lerner Hans‐Wolfram , Holthausen Max C. , Wagner Matthias 
Published: July 2012

Abstract1,2‐Bis(pinacolboryl)benzene (1,2‐C6H4(Bpin)2, 2) was synthesized in preparatively useful yields from 1,2‐C6H4Br2, iPrOBpin, and Mg turnings in the presence of 1,2‐C2H4Br2 as an entrainer. Compound 2 is a versatile starting material for the synthesis of (un)symmetrically substituted benzenes (i.e., 1,2‐C6H4(Ar1)(Ar2)) through sequential Suzuki–Miyaura coupling reactions. Alternatively, it can be transformed into bis‐borate Li2[1,2‐C6H4(BH3)2] (3) through reduction with Li[AlH4]. In the crystal lattice, the diethyl ether solvate 3⋅OEt2 establishes a columnar structure that is reinforced by an intricate network of B(μ‐H)Li interactions. Hydride‐abstraction from compound 3 with Me3SiCl leads to the transient ditopic borane 1,2‐C6H4(BH2)2, which can either be used in situ for subsequent hydroboration reactions or trapped as its stable NMe2Et diadduct (6). In SMe2 solution, the putative diadduct 1,2‐C6H4(BH2⋅SMe2)2 is not long‐term stable but rather undergoes a condensation reaction to give 9,10‐dihydro‐9,10‐diboraanthracene, HB(μ‐C6H4)2BH, and BH3. 9,10‐Dihydro‐9,10‐diboraanthracene was isolated from the reaction mixture as its SMe2 monoadduct (7), which dimerizes in the solid state through two BHB bridges ((7)2, elucidated by X‐ray crystallography). In contrast, hydride‐abstraction from compound 3 in THF or CH2Cl2 provides the unique exo‐adduct H2B(μ‐H)2B(μ‐C6H4)2B(μ‐H)2BH2 (8, elucidated by X‐ray crystallography). Quantum‐chemical calculations on various conceivable isomers of [1,2‐C6H4(BH2)2]2 revealed that compound 8 was the most stable of these species. Moreover, the calculations confirmed the experimental findings that the NMe2Et diadduct of 1,2‐C6H4(BH2)2 is significantly more stable than the corresponding SMe2 complex and that the latter complex is not able to compete successfully with borane‐dimerization and ‐condensation. The reaction cascade in SMe2, which proceeds from 1,2‐C6H4(BH2)2 to the observed adducts of HB(μ‐C6H4)2BH, has been elucidated in detail and the important role of BCB‐bridged intermediates has been firmly established.
Functional Nanoimprinting
Authors: Andrews Hayley G. , Wood Thomas J. , Schofield Wayne C. E. , Badyal Jas Pal S. 
Published: July 2012

AbstractA cure‐activated nanolayer transfer technique is described, which when combined with soft imprinting (lithography) can be used to fabricate multiple surface‐functionalized replicas from the same mould without the need for a separate secondary functionalization step. For instance, the hierarchical roughnesses of plant leaves and moth wings are successfully replicated to yield superhydrophobicity. The inherent simplicity and nanometer‐scale precision of this approach makes it highly attractive for a plethora of surface‐functionalization and patterning applications.
CD14, CD16 and HLA‐DR reliably identifies human monocytes and their subsets in the context of pathologically reduced HLA‐DR expression by CD14hi/CD16neg monocytes: Expansion of CD14hi/CD16pos and contraction of CD14lo/CD16pos monocytes in acute liver failure
Authors: Abeles (Robin) Daniel , McPhail Mark J. , Sowter David , Antoniades Charalambos G. , Vergis Nikhil , Vijay Godhev K. Manakkat , Xystrakis Emmanuel , Khamri Wafa , Shawcross Debbie L. , Ma Yun , Wendon Julia A , Vergani Diego 
Published: July 2012

AbstractChanges in monocytes and their subsets (CD14hi/CD16neg, CD14hi/CD16pos and CD14lo/CD16pos) have been described in several diseases. The combination of CD14, CD16 and HLA‐DR has been suggested to discriminate monocytes from the CD16pos/HLA‐DRneg NK‐cells and neutrophils but no data exist whether this strategy can be used in situations when monocyte HLA‐DR expression is pathologically reduced. Monocytes and their subsets were concurrently identified through negative (exclusion of CD66bpos neutrophils, CD56pos NKcells, CD19pos B‐cells, and CD3pos T‐cells) and positive gating (inclusion of monocytes by expression of CD14, CD16, and HLA‐DR) strategies on 30 occasions [9 healthy controls (HC) and 21 patients with conditions associated with low monocyte HLA‐DR expression]. Bland‐Altman and Passing and Bablok regression statistics did not demonstrate any significant measurement bias between the two strategies of monocyte identification. Monocyte subset phenotype was then compared in 18 HC and 41 patients with acute liver failure (ALF). Compared with HC, in ALF, the percentage of CD14hi/CD16pos monocytes was higher (7% vs 4%) whilst the percentage of CD14lo/CD16pos was lower (1.9% vs. 7%) (P ≤ 0.001); HLA‐DR and CD86 MFIs on all monocyte subsets were lower, whilst CCR5, CD64, and CD11b MFIs were higher (P < 0.05). The relative expression by monocyte subsets of HLA‐DR, CCR2, CCR5, CX3CR1, and CD11a was similar in ALF patients and HCs. Repeat analysis of an identical antibody‐fluorochrome “backbone” targeting HLA‐DR, CD14, and CD16 was assessed in 189 samples across 5 different experiments. There was excellent agreement in the results obtained using the positive gating strategy (interclass correlation coefficients > 0.8). Monocytes and their subsets can be reliably identified using an antibody‐fluorochrome “backbone” of HLA‐DR, CD14, and CD16. CD16pos monocytes continue to constitutively express HLA‐DR even in conditions where HLA‐DR is pathologically reduced on CD14hi/CD16neg monocytes. Understanding the changes in monocyte pheontype in ALF and similar clinico‐pathological diseases may allow the development of novel biomarkers or therapeutic strategies. © 2012 International Society for Advancement of Cytometry
Mapping differentiation kinetics in the mouse retina reveals an extensive period of cell cycle protein expression in post‐mitotic newborn neurons
Authors: Pacal Marek , Bremner Rod 
Published: July 2012

AbstractBackground: Knowledge of gene expression kinetics around neuronal cell birth is required to dissect mechanisms underlying progenitor fate. Here, we timed cell cycle and neuronal protein silencing/induction during cell birth in the developing murine retina. Results: The pan‐cell cycle markers Pcna and Mcm6 were present in the post‐mitotic ganglion cell layer. Although confined to the neuroblastic layer (NBL), 6–7% of Ki67+ cells lacked six progenitor/cell cycle markers, and expressed neuronal markers. To define protein extinction/induction timing, we defined G2/M length throughout retinogenesis, which was typically 1–2 h, but <10% cells took double this time. BrdU‐chase analyses revealed that at E12.5, Tubb3 (Tuj1) appeared at M‐phase, followed by Calb2 and Dcx at ∼2 h, Elavl2/3/4 at ∼4 h, and Map2 at ∼6 h after cell birth, and these times extended with embryonic age. Strikingly, Ki67 was not extinguished until up to a day after cell cycle exit, coinciding with exit from the NBL and induction of late markers such as Map1b/Uchl1/Rbfox3. Conclusions: A minor population of progenitors transits slowly through G2/M and, most importantly, some cell cycle proteins are retained for an unexpectedly long period in post‐mitotic neurons. The high‐resolution map of cell birth kinetics reported here provides a framework to better define mechanisms that regulate neurogenesis. Developmental Dynamics 241:1525–1544, 2012. © 2012 Wiley Periodicals, Inc.
Hip fracture and risk of acute myocardial infarction: A nationwide study
Authors: Chiang Chia-Hung , Liu Chia-Jen , Chen Ping-Jen , Huang Chin-Chou , Hsu Chien-Yi , Chen Zu-Yin , Chan Wan-Leong , Huang Po-Hsun , Chen Tzeng-Ji , Chung Chia-Min , Lin Shing-Jong , Chen Jaw-Wen , Leu Hsin-Bang 
Published: July 2012

Abstract
Osteoporotic fractures are associated with increased mortality risk. However, little data are available on the risk of acute myocardial infarction (AMI) after hip fracture. Therefore, we investigated whether hip fracture increased the risk of AMI in a large, nationwide cohort study. We obtained data from 8758 patients diagnosed with hip fracture from 2000 to 2009 and from 4 matched controls for each patient from the Longitudinal Health Insurance Database (LHID 2000), Taiwan. Controls were matched for age, sex, comorbid disorders, and enrollment date. All subjects were followed up from the date of enrollment until AMI, death, or the end of data collection (2009). Cox's regression model adjusted for age, sex, comorbid disorders, and medication was used to assess independent factors determining the risk of development of AMI. As expected, despite the matching, the hip fracture patients had more risk factors for AMI at baseline. A total of 8758 subjects with hip fractures and 35,032 controls were identified. Among these patients, 1183 (257 hip fracture patients and 926 controls) developed AMI during the median 3.2-year (interquartile range 1.4 to 5.8 years) follow-up period. Patients with hip fractures had a higher incidence of AMI occurrence when compared with controls (8.7/1000 person-years versus 6.82/1000 person-years). Multivariate analysis adjusted for baseline covariates indicated that hip fracture was associated with a greater risk for AMI development (hazard ratio [HR] = 1.29; 95% confidence interval [CI] 1.12–1.48; p &lt; 0.001). We conclude that hip fracture is independently associated with a higher risk of subsequent AMI. © 2013 American Society for Bone and Mineral Research