bluuebunny/crossref_metadata_2025_split huggingface dataset:
Experimental and theoretical study of mechanoluminescence and lyoluminescence of Li3PO4: RE (RE=Dy and Tb) phosphors
Authors: Sahu A. K. , Kadukar Monali R. , Chowdhary P. S. , Nayar V. , Dhoble S. J. 
Published: April 2014

ABSTRACTLi3PO4 phosphors prepared by solid‐state diffusion technique and lyoluminescence (LL) as well as mechanoluminescence (ML) studies are reported. Dy‐ and Tb‐activated phosphors show dosimetric characteristics using LL and ML techniques. The energy levels and hence trapping and detrapping of charge carriers in the material can be studied using ML. Li3PO4 phosphor can be used in the dosimetric applications for ionizing radiation. By using the LL technique, the LL characteristics of Li3PO4 may be useful for high radiation doses. We also report a more detailed theoretical understanding of the mechanism of LL and ML. Copyright © 2014 John Wiley & Sons, Ltd.
Characterization of an anthraquinone fluor from the bioluminescent, pelagic polychaete Tomopteris
Authors: Francis Warren R. , Powers Meghan L. , Haddock Steven H. D. 
Published: April 2014

ABSTRACTTomopteris is a cosmopolitan genus of polychaetes. Many species produce yellow luminescence in the parapodia when stimulated. Yellow bioluminescence is rare in the ocean, and the components of this luminescent reaction have not been identified. Only a brief description, half a century ago, noted fluorescence in the parapodia with a remarkably similar spectrum to the bioluminescence, which suggested that it may be the luciferin or terminal light‐emitter. Here, we report the isolation of the fluorescent yellow–orange pigment found in the luminous exudate and in the body of the animals. Liquid chromatography‐mass spectrometry revealed the mass to be 270 m/z with a molecular formula of C15H10O5, which ultimately was shown to be aloe‐emodin, an anthraquinone previously found in plants. We speculate that aloe‐emodin could be a factor for resonant‐energy transfer or the oxyluciferin for Tomopteris bioluminescence. © 2014 The Authors. Luminescence published by John Wiley & Sons Ltd.
Prediction of IgG1 aggregation in solution
Authors: Ojala Frida , Degerman Marcus , Hansen Thomas Budde , Broberg Hansen Ernst , Nilsson Bernt 
Published: April 2014

AbstractInterest in monoclonal antibody aggregation is increasing as aggregates of biopharmaceuticals can cause an immunogenic response when injected into the body. In this work, a stoichiometric reaction model from concentration–time data is developed to predict the dimer ratio in stored antibody solutions over time. IgG1 was incubated at pH from 4.5 to 5.5, salt concentrations from 100 to 600 mmol/kg and protein concentrations of 10.6–26.3 g/L; samples were taken at intervals of 20 min to 5 h over time periods from 4 h to 7.6 days, and analyzed with size‐exclusion chromatography. The experiments showed the formation of dimers from monomers, but no higher order aggregates. Dilution of samples containing dimers led to the reversal of the dimerization reaction. Measurements of the concentrations of each component were made by fitting exponentially modified Gaussian peaks to the chromatograms used to measure the concentrations of the different forms of protein. This stoichiometric reaction model was able to predict the formation of dimers by the antibody studied. The equilibrium constant was found to be dependent on the salt concentration, and the kinetic constant showed a dependence on the pH of the solution. The prediction of the aggregation leads to a possibility of optimizing the conditions in order to prevent the dimer formation and to maximize the monomer concentration.
Risk factors for bleeding in hepatocellular adenoma
Authors: Bieze M , Phoa S S K S , Verheij J , van Lienden K P , van Gulik T M 
Published: April 2014

Abstract

Background
Hepatocellular adenoma (HCA) is a benign hepatic lesion that may be complicated by bleeding, although the risk of bleeding is ill-defined. The aim of this study was to assess risk factors for bleeding in patients diagnosed with HCA.

Methods
Patients with HCA were included prospectively from January 2008 to July 2012. Patient characteristics were noted. Patients underwent dynamic magnetic resonance imaging (MRI) and/or computed tomography (CT) at presentation and during follow-up. Lesion characteristics on (follow-up) imaging were noted, and bleeding was graded as intratumoral (grade I), intrahepatic (grade II) or extrahepatic (grade III). The standard of reference for diagnosis was histopathology, or dynamic MRI and/or CT findings. Possible risk factors were included if mentioned in literature (lesion size, body mass index), or based on clinical experience (lesion location, visible vessels on imaging).

Results
A total of 45 patients (median age 39 (range 22–60) years; 44 women) with 195 lesions (median size 24 (10–250) mm) were evaluated. Bleeding occurred in 29 patients (64 per cent) and in 42 lesions (21·5 per cent) with a median size of 62 (10–160) mm. Size was a risk factor for bleeding (P &lt; 0·001), with an increased number of bleeding events in lesions of 35 mm or more. Exophytic lesions (protruding from liver) had more bleeding (16 of 24, 67 per cent) than intrahepatic (9 of 82, 11 per cent) or subcapsular (17 of 89, 19 per cent) lesions (P &lt; 0·001). Lesions in segments II and III had more bleeds than those in the right liver (11 of 32 versus 31 of 163; P = 0·049), as did lesions in which peripheral or central arteries were visualized on imaging (10 of 13 versus 32 of 182 lesions with no visible vascularization; P &lt; 0·001).

Conclusion
Risk factors for bleeding of HCA include diameter of 35 mm or more, visualization of lesional arteries, location in the left lateral liver, and exophytic growth.
Randomized clinical trial comparing Nordic pole walking and a standard home exercise programme in patients with intermittent claudication
Authors: Spafford C , Oakley C , Beard J D 
Published: April 2014

Abstract

Background
This was a randomized clinical trial to determine whether Nordic pole walking (NPW) is more effective in improving walking distance than a standard home exercise programme (HEP) in patients with intermittent claudication.

Methods
Fifty-two patients with stable claudication were allocated randomly to a standard HEP or NPW group, and asked to complete three 30-min walks per week for 12 weeks. Claudication distance (CD) and maximum walking distance (MWD) were measured at 0 (baseline), 4, 8 and 12 weeks. Patients in the NPW group were tested with (NPW+) and without (NPW–) poles.

Results
For NPW+, CD increased immediately from a median (range) of 124 (71–248) m to 148 (116–426) m, and MWD from 248 (149–900) to 389 (194–1099) m (P = 0·004 and P &lt; 0·001 respectively). By 12 weeks, CD had further increased to 199 (118–550) m and MWD had more than doubled to 538 (250–1750) m (P &lt; 0·001 and P = 0·001). For NPW–, CD at 12 weeks had increased significantly to 151 (100–328) m and MWD to 400 (200–900) m (P &lt; 0·001 and P = 0·006 respectively). At 12 weeks the changes in the standard HEP group were not significant, despite excellent compliance: CD from 107 (56–332) to 153 (59–321) m and MWD from 355 (92–600) to 334 (149–874) m (P = 0·030 and P = 0·260 respectively).

Conclusion
A 12-week exercise programme using Nordic poles significantly improved walking distance in claudicants compared with a standard HEP. Registration number: ISRCTN78168304 (http://www.controlled-trials.com).
Determination of 10‐chloromethyl‐11‐demethyl‐12‐oxo‐calanolide A in rat plasma using liquid chromatography–tandem mass spectrometry and its application to pharmacokinetics
Authors: Sheng Li , Zhang Qinghao , Liu Zhihao , Liu Xin , Wang Baolian , Chen Hui , Li Yan 
Published: April 2014

ABSTRACTA rapid and specific liquid chromatography–tandem mass spectrometry for the quantitation of 10‐chloromethyl‐11‐demethyl‐12‐oxo‐calanolide A (F18), a small‐molecule nonnucleoside reverse transcriptase inhibitor, was developed and validated in rat plasma. F18 was monitored by positive electrospray ionization in the selected reaction monitoring mode. The standard curve was linear over the range of 2–1000 ng/mL. The method was used to determine the plasma concentration of F18 after a single oral dose of 50 mg/kg in rats. Copyright © 2014 John Wiley & Sons, Ltd.
Palladium‐Catalyzed Silver‐Mediated α‐Arylation of Acetic Acid: A New Approach for the α‐Arylation of Carbonyl Compounds
Authors: Wu Guo‐Jie , Guan Jing , Han Fu‐She , Zhao Yu‐Long 
Published: April 2014

AbstractA new approach for the α‐arylation of acetic acid through Pd‐catalyzed silver‐mediated direct CH arylation of acetic acid with aryl iodides was developed. This protocol provided a straightforward method for the synthesis of a diverse set of α‐phenylacetic acids.
Multivalency by Self‐Assembly: Binding of Concanavalin A to Metallosupramolecular Architectures Decorated with Multiple Carbohydrate Groups
Authors: Chmielewski Michał J. , Buhler Eric , Candau Jean , Lehn Jean‐Marie 
Published: April 2014

AbstractMultiplication of functional units through self‐assembly is a powerful way to new properties and functions. In particular, self‐organization of components decorated with recognition groups leads to multivalent entities, amenable to strong and selective binding with multivalent targets, such as protein receptors. Here we describe an efficient, supramolecular, one‐pot valency multiplication process proceeding through self‐organization of monovalent components into well‐defined, grid‐shaped [2×2] tetranuclear complexes bearing eight sugar residues for multivalent interaction with the tetrameric lectin, concanavalin A (Con A). The grids are stable in water under physiological pH at a relatively high concentration, but dissociate readily at slightly more acidic pH or upon dilution below a certain threshold, in a type of on–off behavior. The carbohydrate‐decorated grids interact strongly and selectively with Con A forming triply supramolecular bio‐hybrid polymeric networks, which lead to a highly specific phase‐separation and quasi‐quantitative precipitation of Con A out of solution. Dramatic effects of valency number on agglutination properties were demonstrated by comparison of grids with divalent carbohydrates of covalent and non‐covalent (L‐shaped, mononuclear zinc complex) scaffolds. The results presented here provide prototypical illustration of the power of multivalency generation by self‐assembly leading to defined arrays of functional groups and binding patterns.
pH‐Controlled Multiple Chiral Inversion That Induces Molecular Dimerization in a Gold(I)–Cobalt(III) Coordination System with L‐Cysteinate
Authors: Lee Pei‐Shan , Igashira‐Kamiyama Asako , Kuwamura Naoto , Yoshinari Nobuto , Konno Takumi 
Published: April 2014

AbstractHerein, a unique coordination system that exhibits multiple chiral inversions and molecular dimerization in response to a subtle pH change is reported. Treatment of (Δ)2‐H3[Au3Co2(L‐cys)6] (H3[1 a]) with [Co3(aet)6](NO3)3 (aet=2‐aminoethanethiolate) in water at pH 7 gave a 1:1 complex salt of [Co3(aet)6]3+ and [1 a]3−, retaining the AuI3CoIII2 structure and chiral configurations of [1 a]3−. Similar treatment at pH 9 led to not only the inversion of all of the chiral CoIII and S centers but also the dimerization of [1 a]3−, giving a 2:1 complex salt of [Co3(aet)6]3+ and (Λ)4(R)12‐[Au6Co4(L‐cys)12]6− ([2]6−). When dissociated from [Co3(aet)6]3+ in solution, [2]6− was converted to (Λ)2(R)6‐[Au3Co2(L‐cys)6]3− ([1 b]3−) with retention of the chiral configurations.
Optimizing high performance computing workflow for protein functional annotation
Authors: Stanberry Larissa , Rekepalli Bhanu , Liu Yuan , Giblock Paul , Higdon Roger , Montague Elizabeth , Broomall William , Kolker Natali , Kolker Eugene 
Published: April 2014

SUMMARYFunctional annotation of newly sequenced genomes is one of the major challenges in modern biology. With modern sequencing technologies, the protein sequence universe is rapidly expanding. Newly sequenced bacterial genomes alone contain over 7.5 million proteins. The rate of data generation has far surpassed that of protein annotation. The volume of protein data makes manual curationinfeasible, whereas a high compute cost limits the utility of existing automated approaches. In this work, we present an improved and optmized automated workflow to enable large‐scale protein annotation. The workflow uses high performance computing architectures and a low complexity classification algorithm to assign proteins into existing clusters of orthologous groups of proteins. On the basis of the Position‐Specific Iterative Basic Local Alignment Search Tool the algorithm ensures at least 80% specificity and sensitivity of the resulting classifications. The workflow utilizes highly scalable parallel applications for classification and sequence alignment. Using Extreme Science and Engineering Discovery Environment supercomputers, the workflow processed 1,200,000 newly sequenced bacterial proteins. With the rapid expansion of the protein sequence universe, the proposed workflow will enable scientists to annotate big genome data. Copyright © 2014 John Wiley & Sons, Ltd.
The Process of Seeking Psychotherapy and Its Impact on Therapy Expectations and Experiences
Authors: Elliott Katherine P. , Westmacott Robin , Hunsley John , Rumstein‐McKean Orly , Best Marlene 
Published: April 2014

Seeking psychotherapy can be conceptualized as having three stages: deciding that therapy might help, deciding to seek therapy and contacting a therapist. The present study examined the duration and difficulty of clients' decisions to seek psychotherapy and whether these experiences were predictive of expected difficulty and commitment to the therapy process. One‐hundred and fifty‐five adults seeking individual psychological services from a university training clinic were assessed before intake; 107 of these participants also completed measures between the third and fourth therapy sessions and at post‐therapy. Deciding that therapy might help was reported to be the most difficult step and took the longest, with each subsequent step becoming easier and briefer. At each step, the more difficult the decision, the more time participants took to make it. Higher distress was associated with more difficulty in deciding that therapy might help and deciding to seek therapy. Duration and difficulty of decisions to seek therapy were positively correlated with expectations of difficulty in therapy as measured prior to treatment and following the third session but were not associated with participants' commitment to therapy. The implications of these results for clinicians and mental health services are discussed. Copyright © 2014 John Wiley & Sons, Ltd.Key Practitioner Message

The most difficult and time‐consuming step for those who seek mental health services is recognizing that their distressing experiences are connected to mental health; clinicians may aid this challenge by providing information on the nature of mental disorders and common symptoms of emotional distress on websites or through other means (e.g., physicians' waiting rooms and advertising campaigns).
The next most difficult and time‐consuming step for those who seek mental health services is deciding that psychotherapy may help; by providing easily accessible information (e.g., on websites) about what psychotherapy entails, including clinicians' expectations of clients and the benefits/challenges of therapy, potential clients may be able to progress through this step more rapidly and with less difficulty.
Clients' expectations of the value of psychotherapy and their commitment to engage in therapy do not appear to be affected by how long it took, or how difficult it was, to obtain psychotherapy.
Factors such as forming a strong therapeutic alliance and providing support and guidance during the initial sessions of therapy may be more important in helping potential clients commit to therapy than what they experienced in their efforts to receive psychotherapy.
Structural and Physical Properties of (EDO‐TTF‐Cl)2XF6 (X = As, Sb): Geometrical Aspects for Monosubstituted EDO‐TTF (EDO‐TTF = 4,5‐ethylenedioxytetrathiafulvalene)
Authors: Ishikawa Manabu , Nakano Yoshiaki , Uruichi Mikio , Otsuka Akihiro , Yakushi Kyuya , Yamochi Hideki 
Published: April 2014

AbstractCompounds of the formula (EDO‐TTF‐Cl)2XF6 (EDO‐TTF‐Cl = 4‐chloro‐4′,5′‐ethylenedioxytetrathiafulvalene, X = As, Sb) were prepared to examine the substituent size effect on the packing structure of the donor molecules. In these salts, a head‐to‐tail type donor stacking was observed. Although the AsF6 salt is a quasi‐one‐dimensional dimer Mott insulator, the SbF6 salt shows quasi‐one‐dimensional metallic behavior. Detailed crystal structure analyses revealed the correlation between the anion size and the intermolecular slipping among the donor molecules. The donor morphology, which plays an important role in the overlapping mode selectivity, is characterized by the magnitude and configuration of the out‐of‐plane substituent size.
3D/3D Hetero‐Interpenetrating Diamondoid Framework and Homo‐Interpenetrating pcu Network by a One‐Pot Reaction
Authors: Guo Xiang‐Guang , Yang Wen‐Bin , Wu Xiao‐Yuan , Lin Lang , Lu Can‐Zhong 
Published: April 2014

AbstractTwo new metal–organic frameworks (MOFs) with novel architectures, namely, [Co2(NDC)2(H2MDP)2][(Co(NDC)(H2MDP)] (1) and [Co(NDC)(H2MDP)0.5] (2) were synthesized through a one‐pot reaction. The metal to ligand ratio was found to influence the formation of the two compounds, and their pure phases were successfully obtained only by adjusting the molar ratios of Co/H2NDC/H2MDP to be 1:1:1 and 2:2:1, respectively [H2NDC = 1,4‐naphthalenedicarboxylic acid, H2MDP = methylenebis(3,5‐dimethylpyrazole)]. X‐ray crystallographic analyses showed that 1 crystallizes as a racemic twin and features an interesting threefold 3D/3D hetero‐interpenetrating diamondoid framework with left‐handed and right‐handed helical chains, whereas 2 displays a 3D twofold homo‐interpenetrating pcu network constructed from paddle‐wheel secondary building units and H2MDP pillars in a trans conformation. The one‐pot synthesis of two or more MOFs with hetero‐interpenetration and homo‐interpenetration has been rarely reported.
Inclusion complexes of astaxanthin with hydroxypropyl‐β‐cyclodextrin: Parameters optimization, spectroscopic profiles, and properties
Authors: Dong Shengzhao , Huang Yi , Zhang Rui , Lian Zhongshuai , Wang Shihui , Liu Yun 
Published: April 2014

Inclusion complexes of astaxanthin with hydroxypropyl‐β‐cyclodextrin (HPCD) were systematically investigated from several aspects of processing optimization by RSM, spectroscopic profiles of UV, FT‐IR, and TG/DTA, and properties of water solubility, storage stability, 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) radical scavenging activity, and reducing power. The results showed that the optimal preparation conditions of inclusion complexes were: 500:1 of HPCD/astaxanthin mass ratio, 49.58°C of temperature and 25 mg/mL of HPCD concentration. Under the optimized conditions, inclusion rate of 30.4 ± 1.3% was achieved. Spectroscopic profiles revealed that the hexatomic ring of the astaxanthin molecules was partly included into the HPCD cavities and the starting decomposition temperature of astaxanthin increased by about 50°C due to the protection of HPCD. The storage stability of inclusion complexes was enhanced at the temperatures of 4, 25, 37, and 50°C in dark and light storage conditions. The reducing power and DPPH radical scavenging activities of inclusion complexes were much higher than those of pure astaxanthin, and the inclusion complexes showed good water solubility with high concentration up to 50 mg/mL. In conclusion, the optimized parameters and monitoring procedure by TGA, UV, FT‐IR, and HPLC are useful to conduct the inclusion complexes preparation with good properties, which are helpful for its applications in food and feed industries as an antioxidant additive.Practical applications: (i) The operational parameters of inclusion complexes were optimized and monitored by TGA, UV, FT‐IR, and HPLC, which is useful to conduct the inclusion complexes preparation with good properties; (ii) The properties of inclusion complexes were elucidated such as water solubility, storage stability, DPPH radical scavenging activity, and reducing power, which are helpful for its applications in food and feed industries as an antioxidant additive.Inclusion complexes of astaxanthin with hydroxypropyl‐β‐cyclodextrin (HPCD) were systematically investigated from several aspects of processing optimization by RSM, spectroscopic profiles of UV, FT‐IR, and TG/DTA, and properties of water solubility, storage stability, DPPH radical scavenging activity, and reducing power. The results are useful to conduct the inclusion complexes preparation with good properties and helpful for its applications in food and feed industries as an antioxidant additive.
Synthesis and Characterization of Bisumanenylidene
Authors: Amaya Toru , Ito Takanori , Hirao Toshikazu 
Published: April 2014

AbstractBisumanenylidene, consisting of two sumanene components bridged by a double bond, was synthesized by McMurry coupling of monooxosumanene. Calculations and low‐temperature 1H NMR spectroscopy experiments suggest that bisumanenylidene is likely to be dominantly present in the C2h symmetric structure rather than the C2 symmetric one. Evidence for the extension of π conjugation in bisumanenylidene was shown by absorption and emission spectroscopy.
A Glassy Carbon Electrode Modified with LangmuirBlodgett Film Composed of DNA and Polyaniline for the Sensitive Determination of Salbutamol
Authors: Zou Lina , Li Yinfeng , Cao Shaokui , Ye Baoxian 
Published: April 2014

AbstractA composite LangmuirBlodgett film prepared from DNA and polyaniline was deposited on the surface of a glassy carbon electrode (GCE) to give a new voltammetric sensor for the β2‐agonist salbutamol (SAL). Cyclic voltammetry and electrochemical impedance spectroscopy were employed to study the characteristic of the modified electrode. The electrochemistry of SAL at the modified electrode was investigated at pH 6.8 by cyclic voltammetry and differential pulse anodic voltammetry. The oxidation of SAL at this electrode is an adsorption‐controlled irreversible process. A sensitive electroanalytical method for determination of SAL was worked out that displays high precision and good reproducibility. The method was applied to quantify SAL in tablets with satisfactory results.
Series expansion of complex ground amplifications with a sequence of simple transfer functions
Authors: Goto Hiroyuki 
Published: April 2014

SUMMARYAmplification of earthquake ground motions at actual deposit sites is an important factor to consider when assessing the risk of an earthquake disaster. In order to identify the amplification properties, several preprocessings such as the Fourier transform are required. I propose a series expansion of the amplification with simple ground transfer functions as a new preprocessing. I define a sequence of transfer functions based on a two‐layered structure excluding an internal damping and a function space spanned by the set of the functions. I mathematically prove that the function space is equal to L2 space. This indicates that all the functions belonging to L2 space, that is, an arbitrary ground amplification, have a unique series expansion. This expansion is applied to the physics‐based decomposition of the amplification. Some numerical examples indicate that the similarity between a target complex structure and a simple model is measured by the absolute value of each coefficient in the series expansion. Copyright © 2014 John Wiley & Sons, Ltd.