bluuebunny/crossref_metadata_2025_split huggingface dataset:
A novel utilisation of principal component analysis to optimise sorption isotherms and determine diffusion coefficients of five naphthalimide disperse dyes on polyester fibres
Authors: Jafari Seyamack , Khosravi Alireza , Gharanjig Kamaladin , Moradian Siamak , Pourmahdian Saeed 
Published: June 2013

AbstractExperimental data was gathered from more than 700 dyeings of polyester fibres with five naphthalimide disperse dyes. The dyeing process which was the same for all the dyes was carried out separately at five different temperatures, namely: 40°, 60°, 80°, 100° and 120° centigrade. Dye sorption was measured at 10 min time intervals at each temperature until the completion of the dyeing process. Additionally, the raw data was modified by the principal components analysis (PCA) in order to extract the highly informative part of the raw data (i.e. principal components). Such modified data was correlated with the six main sorption models. The results illustrate that unmodified raw data fit a dual combination of sorption models of the Nernst–Freundlich or Nernst–Scatchard type. However, the novel utilisation of PCA‐modified data illustrate that a linear Nernst type sorption model is appropriate, making it less dependent on dye structure and aggregation. The validity of this approach was confirmed by sensitivity analysis, affinity calculations and diffusivity determination. Furthermore, a novel ‘To To’ numerical method worked extremely well in determining diffusion coefficients based on the Hill's approximate solution.
Accurate determination of patient‐specific boundary conditions in computational vascular hemodynamics using 3D cine phase‐contrast MRI
Authors: Onishi Y. , Aoki K. , Amaya K. , Shimizu T. , Isoda H. , Takehara Y. , Sakahara H. , Kosugi T. 
Published: June 2013

SUMMARYIn the patient‐specific vascular CFD, determination of the inlet and outlet boundary conditions (BCs) is an important issue for a valid diagnosis. The 3D cine phase‐contrast MRI (4D Flow) velocimetry is promising for this issue; yet, its measured velocities contain relatively large error and are not admissible as the BCs without any correction. This paper proposes a novel correction method for determining the BCs accurately using the 4D Flow velocimetry. First, we reveal that the error of the velocity measured by the 4D Flow at each measurement voxel is large but is distributed symmetrically. Secondly, our method pays attention to the incompressibility of the blood and the fact that the volume flow rate (VFR) in each vessel is constant on any cross sections. We reveal that the average of the cross‐sectional VFRs integrated from many measurement voxel in each vessel is accurate despite the large error. Finally, we propose the novel correction method, which applies a smoothing to the measured velocities on each inlet or outlet boundary with a low‐pass filter and then corrects them with the VFR. The results of the several phantom studies are presented to validate the accuracy of our method. A demonstrative analysis for an actual aneurysm is also presented to show the feasibility and effectiveness of our method. Copyright © 2013 John Wiley & Sons, Ltd.
Treatment of Paranoid Personality Disorder with Cognitive Analytic Therapy: A Mixed Methods Single Case Experimental Design
Authors: Kellett Stephen , Hardy Gillian 
Published: June 2013

Paranoid personality disorder (PPD) presents as chronic and widespread interpersonal distrust, whereby the actions of others are interpreted as malevolent and malicious. This research details the assessment, formulation and treatment of a case of PPD within a 24‐session contract of cognitive analytic therapy (CAT). The outcome methodology was an A/B with extended follow‐up single case experimental design (SCED). The SCED was supplemented with qualitative patient interviewing via the Change Interview regarding their experience of CAT, whether change had taken place and detailing of any identified change mechanisms. Quantitative results show that five out of the six daily rated paranoia target complaint measures were extinguished during the treatment phase. Qualitatively, the patient attributed change to the therapy conducted. The results suggest that CAT was an effective intervention in this case of PPD and are discussed in terms of identified methodological shortcomings, treatment implications and the potential for generating a convincing evidence base for the psychotherapy of PPD. Copyright © 2013 John Wiley & Sons, Ltd.Key Practitioner MessageNarrative reformulation using a CAT model offers a key opportunity for the patient to achieve a new understanding of their paranoia.Psychotherapy for PPD requires a cognitive component, within a boundaried and relational therapy, that is able to reflect on paranoid enactments and ruptures within the therapeutic relationship.There is a large role for clinician‐researchers in developing a PPD outcome evidence base.
Nonlinear Self‐Gravitational Solar Plasma Fluctuations with Electron Inertia
Authors: Karmakar P. K. , Borah B. 
Published: June 2013

AbstractA theoretical evolutionary model for new nonlinear self‐gravitational fluctuations associated with the solar plasma system is developed. The lowest‐order inertial correction of the plasma thermal electrons is considered. We try to present our calculation scheme leading to the fluctuation patterns evolving as a new class of nonlinear coherent structures. It is demonstrated that they are mainly monotonous shock‐like eigenmodes governed by a unique type of driven Korteweg‐de Vries Burger (d ‐KdVB) equation obtained by multiscale analysis over the gravito‐electrostatic equilibrium structure equations. The self‐consistent new and unique nonlinear driving source here appears due to the inclusion of weak electron inertia. The d ‐KdVB system is studied analytically, graphically and numerically in detail to show the detailed features of the eigenmodes. Our conclusions are in good qualitative agreement with multispace satellite and imaging detections made by others. Main results significant to diverse solar, stellar and other astrophysical contexts along with future directions are summarily highlighted. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Can endopolyploidy explain body size variation within and between castes in ants?
Authors: Scholes Daniel R. , Suarez Andrew V. , Paige Ken N. 
Published: June 2013

AbstractEndoreduplication is the process by which the nuclear genome is repeatedly replicated without mitotic cell division, resulting in nuclei that contain numerous additional genome copies. Endoreduplication occurs widely throughout Eucarya and is particularly common in angiosperms and insects. Although endoreduplication is an important process in the terminal differentiation of some specialized cell types, and often increases cell size and metabolism, the direct effects of increasing nuclear ploidy on cell function are not well resolved. Here, we examine if endoreduplication may play a role in body size and/or caste differentiation in ants. Nuclear ploidy was measured by flow cytometry of whole individuals (providing the basis for overall body size patterns) and individual body segments for multiple polymorphic ant species. We used cell cycle values, interpreted as the mean number of endocycles performed by each cell in the sample, as our measure of overall endoreduplication. Among females of four polymorphic ant species, endoreduplication was positively related with size within the worker caste, but was not related to caste generally in two species where we also examined queens. Additionally, abdomens had the greatest endoreduplication of all body parts regardless of caste or size. We also found that males, having derived from haploid unfertilized eggs, had the highest rates of endoreduplication and may compensate for their haploid origin by performing an additional endocycle relative to females. These results suggest that endoreduplication may play a role in body size variation in eusocial insects and the development of some segment‐specific tissues.
Neutral and Cationic N‐Heterocyclic Carbene Zinc Adducts and the BnOH/Zn(C6F5)2 Binary Mixture – Characterization and Use in the Ring‐Opening Polymerization of β‐Butyrolactone, Lactide, and Trimethylene Carbonate
Authors: Schnee Gilles , Fliedel Christophe , Avilés Teresa , Dagorne Samuel 
Published: June 2013

AbstractA variety of N‐heterocyclic carbene (NHC) zinc adducts of the type NHC–ZnMe2 [2a, NHC = 1,3‐dimesitylimidazol‐2‐ylidene; 2b, NHC = 1,3‐(2,6‐iPr2Ph)2‐imidazol‐2‐ylidene; 2c, NHC = 1,3‐di‐tert‐butylimidazol‐2‐ylidene] and NHC–Zn(C6F5)2 [4a, NHC = 1,3‐dimesitylimidazol‐2‐ylidene; 4b, NHC = 1,3‐(2,6‐iPr2Ph)2‐imidazol‐2‐ylidene; 4c, NHC = 1,3‐di‐tert‐butylimidazol‐2‐ylidene] were synthesized by reaction of the appropriate NHC ligand with ZnMe2 or (toluene)Zn(C6F5)2. The X‐ray molecular structures of derivatives 2b, 4b, and 4c confirmed their adduct nature, and their bonding and geometrical parameters are influenced by the nature of the Zn–X group. The ionization reaction of the dimethyl Zn species 2a and 2b with the methide abstracting reagent B(C6F5)3 in the presence of tetrahydrofuran (THF) afforded the NHC–Zn organocations (1,3‐dimesitylimidazol‐2‐ylidene)Zn(Me)(THF)2+ (3a+) and [1,3‐(2,6‐iPr2Ph)2‐imidazol‐2‐ylidene]Zn(Me)(THF)+ (3b+) as dissociated MeB(C6F5)3– salts, as deduced from NMR spectroscopic data. All of these NHC–Zn compounds and BnOH/Zn(C6F5)2 were tested as ring‐opening polymerization (ROP) initiators of β‐butyrolactone (β‐BL), rac‐lactide (rac‐LA), and trimethylene carbonate (TMC). Although cations 3a+ and 3b+ were both inactive ROP initiators, as they appear to decompose prior to any ROP activity, the NHC–Zn(C6F5)2 compounds readily mediate the ROP of β‐BL, rac‐LA, and TMC to afford the corresponding polymeric materials with a moderate level of control, as deduced from NMR, size‐exclusion chromatography (SEC), and mass spectrometric MALDI‐TOF data. In contrast, the use of the alcohol BnOH (instead of a NHC moiety) as a nucleophile for association with (toluene)Zn(C6F5)2 led to efficient, highly controlled, and immortal ROP of TMC and rac‐LA with the formation of controlled chain length and narrowly disperse materials.
Subtle Steric Effects in Nickel‐Catalysed Kumada–Tamao–Corriu Cross‐Coupling Using Resorcinarenyl‐Imidazolium Salts
Authors: Şahin Neslihan , Sémeril David , Brenner Eric , Matt Dominique , Özdemir İsmail , Kaya Cemal , Toupet Loïc 
Published: June 2013

AbstractThree resorcinarene‐cavitands bearing a 3‐R‐1‐imidazolylium substituent (R = alkyl) grafted to the wider rim of the cavitand (1–3) were assessed in the Kumada–Tamao–Corriu cross‐coupling of aryl halides with arylmagnesium halides. Their combination with [Ni(cod)2] (cod = 1,5‐cyclooctadiene; 1:1 stoichiometry) resulted in highly efficient catalysts, the activities of which varied in the following order: R = n‐propyl (1) < isopropyl (2) ≈ benzyl (3). A remarkable turnover frequency of 60400 mol(ArX) mol(Ni)–1 h–1 was obtained in the coupling of 2‐bromo‐6‐methoxynaphthalene with PhMgBr (100 °C in dioxane, with precursor 2). The high activities of the cavitand derivatives were attributed to steric effects that facilitate the reductive‐elimination/product decoordination step. Comparative experiments carried out with a structurally modified resorcinarene, as well as cavity‐free imidazolium salts bearing 2‐methoxyaryl substituents, suggest that the efficiency of the catalysts mainly relies on steric interactions between the metal and the flexible substituents attached to two methine carbon atoms. These steric interactions are probably reinforced each time the metal binds one of the two oxygen atoms located next to the catalytic centre.
Chymotrypsin‐Catalyzed Peptide Synthesis in Deep Eutectic Solvents
Authors: Maugeri Zaira , Leitner Walter , Domínguez de María Pablo 
Published: June 2013

AbstractDeep eutectic solvents (DESs) are formed by mixing quaternary ammonium salts (e.g., choline chloride) and hydrogen‐bond donors (e.g., glycerol or urea), which leads to biodegradable and readily available ionic solvents at room temperature. Analogous to other ionic liquids, DESs represent a promising reaction media if hydrophobic and hydrophilic substrates need to be combined. This paper assesses DESs as reaction media for chymotrypsin‐catalyzed peptide synthesis. After careful determination of the reaction conditions (e.g., water content, enzyme loading), α‐chymotrypsin displayed high activity for peptide synthesis in choline chloride/glycerol mixtures to afford productivities of ca. 20 g L–1 h–1 and with complete selectivity for the peptide, which is in contrast to the detrimental hydrolysis pathway observed in aqueous media. The nonimmobilized suspended enzyme could be reused several times by simple filtration with excellent to moderate activities. Overall, the results reported suggest that choline chloride based DESs may become promising neoteric solvents for peptide synthesis through biocatalysis.
Importance of mechanochemical effects on fault slip behavior during earthquakes
Authors: Hirono Tetsuro , Tanikawa Wataru , Honda Go , Kameda Jun , Fukuda Jun‐ichi , Ishikawa Tsuyoshi 
Published: June 2013

AbstractRecent analyses of natural faults and laboratory rock friction experiments have revealed that physical transformations and chemical reactions of minerals and fluids occur in faults during earthquakes. However, exactly how these physicochemical processes affect fault weakening and earthquake energetics is not well understood. We present quantitative experimental evidence of mechanochemical changes in a clay mineral (illite) during frictional slip and evaluate the effect of those changes on slip behavior. Friction distorts the crystal structure of illite and dramatically decreases the activation energy (Ea) of the dehydroxylation reaction. Numerical modeling shows that the lower Ea allows the dehydroxylation to occur at relatively low temperatures (200–300°C), which in turn drastically reduces fault strength by pressurization of released water from the mineral. Thus, dynamic thermo‐chemo‐mechanical processes can strongly affect earthquake instability, especially along clay‐rich faults such as those in the shallow part of subduction zone plate boundaries.
Assessment of functional outcomes in patients with head and neck cancer according to the International Classification of Functioning, Disability and Health Core Sets from the perspective of the multi‐professional team: Results of 4 Delphi surveys
Authors: Kirschneck Michaela , Sabariego Carla , Singer Susanne , Tschiesner Uta 
Published: June 2013

ABSTRACTBackgroundThe International Classification of Functioning, Disability and Health Core Set for Head and Neck Cancer (ICF‐HNC) covers the typical spectrum of problems in functioning in head and neck cancer. This study is part of a multistep process to develop practical guidelines in Germany. The purpose of this study was to identify instruments for the assessment of functioning using the ICF‐HNC as reference.MethodsFour Delphi surveys with physicians, physiotherapists, psychologists, and social workers were performed to identify which aspects of the ICF‐HNC are being treated and which assessment tools are recommended for the assessment of functioning.ResultsNinety‐seven percent categories of the ICF‐HNC were treated by healthcare professionals participating in the current study. Altogether, 33 assessment tools were recommended for therapy monitoring, food intake, pain, further organic problems/laboratory tests, and psychosocial areas.ConclusionAlthough the ICF‐HNC is being currently implemented by the head and neck cancer experts, several areas are not covered regularly. Additionally, validated tools were rarely recommended. © 2013 Wiley Periodicals, Inc. Head Neck 36: 954–968, 2014
Current tissue engineering strategies in anterior cruciate ligament reconstruction
Authors: Leong Natalie L. , Petrigliano Frank A. , McAllister David R. 
Published: June 2013

AbstractRupture of the anterior cruciate ligament (ACL) is one of the most common ligamentous injuries of the knee. Limitations of allografts and autografts in ACL reconstruction as well as recent advancements in biology and materials science have spurred interest in developing tissue‐engineered ACL replacements that have the potential to mimic the native ACL in terms of both biological and mechanical properties. This article reviews the current literature regarding contemporary tissue engineering strategies. The four basic components of tissue engineering, biomaterial scaffolds, cell sources, growth factors, and mechanical stimuli, as applied to the development of tissue‐engineered ACL replacement grafts, will be systematically addressed. In addition, animal models that have been used to test these tissue‐engineered ACL replacements will also be reviewed. To date, there is no tissue‐engineered ACL construct that has been successfully implanted in humans. We expect that continued progress in designing a viable tissue‐engineered ACL replacement will accompany rapidly advancing techniques in materials science and biology. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 102A: 1614–1624, 2014.
A biodegradable thermoset polymer made by esterification of citric acid and glycerol
Authors: Halpern Jeffrey M. , Urbanski Richard , Weinstock Allison K. , Iwig David F. , Mathers Robert T. , von Recum Horst A. 
Published: June 2013

AbstractA new biomaterial, a degradable thermoset polymer, was made from simple, economical, biocompatable monomers without the need for a catalyst. Glycerol and citric acid, nontoxic and renewable reagents, were crosslinked by a melt polymerization reaction at temperatures from 90 to 150°C. Consistent with a condensation reaction, water was determined to be the primary byproduct. The amount of crosslinking was controlled by the reaction conditions, including temperature, reaction time, and ratio between glycerol and citric acid. Also, the amount of crosslinking was inversely proportional to the rate of degradation. As a proof‐of‐principle for drug delivery applications, gentamicin, an antibiotic, was incorporated into the polymer with preliminary evaluations of antimicrobial activity. The polymers incorporating gentamicin had significantly better bacteria clearing of Staphylococcus aureus compared to non‐gentamicin gels for up to 9 days. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 102A: 1467–1477, 2014.
Foreshocks during the nucleation of stick‐slip instability
Authors: McLaskey Gregory C. , Kilgore Brian D. 
Published: June 2013

AbstractWe report on laboratory experiments which investigate interactions between aseismic slip, stress changes, and seismicity on a critically stressed fault during the nucleation of stick‐slip instability. We monitor quasi‐static and dynamic changes in local shear stress and fault slip with arrays of gages deployed along a simulated strike‐slip fault (2 m long and 0.4 m deep) in a saw cut sample of Sierra White granite. With 14 piezoelectric sensors, we simultaneously monitor seismic signals produced during the nucleation phase and subsequent dynamic rupture. We observe localized aseismic fault slip in an approximately meter‐sized zone in the center of the fault, while the ends of the fault remain locked. Clusters of high‐frequency foreshocks (Mw ~ −6.5 to −5.0) can occur in this slowly slipping zone 5–50 ms prior to the initiation of dynamic rupture; their occurrence appears to be dependent on the rate at which local shear stress is applied to the fault. The meter‐sized nucleation zone is generally consistent with theoretical estimates, but source radii of the foreshocks (2 to 70 mm) are 1 to 2 orders of magnitude smaller than the theoretical minimum length scale over which earthquake nucleation can occur. We propose that frictional stability and the transition between seismic and aseismic slip are modulated by local stressing rate and that fault sections, which would typically slip aseismically, may radiate seismic waves if they are rapidly stressed. Fault behavior of this type may provide physical insight into the mechanics of foreshocks, tremor, repeating earthquake sequences, and a minimum earthquake source dimension.
Dust emission and transport mechanisms in the central Sahara: Fennec ground‐based observations from Bordj Badji Mokhtar, June 2011
Authors: Allen Christopher J. T. , Washington Richard , Engelstaedter Sebastian 
Published: June 2013

AbstractA detailed analysis of the first ever high‐resolution ground‐based dust observations in the remote central Sahara is presented from observations at Bordj Badji Mokhtar (BBM), taken during the Fennec project in June 2011. Detailed case studies are presented for three dust‐producing mechanisms (cold pool outflows, low‐level jets (LLJs), and dry convective plumes). The results confirm the importance of cold pools in dust emission and transport in the region. Forty‐five percent of the dust over BBM is generated by local emission in cold pool outflows. Twenty‐seven percent of the dust is advected rather than locally emitted dust; on three occasions, it is advected over 500 km to BBM by cold pool outflows. Dust that has been in long‐range transport to the area within such cold pool outflows is found to carry larger particles and be responsible for higher dust loadings than fresh uplift. LLJs are of tertiary importance in the partitioning, responsible for 14% dust over BBM. Dry convective plumes are identifiable in the data but produce much less significant quantities of dust, approximately 2% of the June total. The cube of wind speed has a stronger correlation with dust emission than wind speed. The correlation is strongest (at 95% confidence) for LLJ‐induced emission (0.88), followed by locally emitting cold pools (0.78).
Anatomical characterization of athetotic and spastic cerebral palsy using an atlas‐based analysis
Authors: Yoshida Shoko , Faria Andreia V. , Oishi Kenichi , Kanda Toyoko , Yamori Yuriko , Yoshida Naoko , Hirota Haruyo , Iwami Mika , Okano Sozo , Hsu John , Li Xin , Jiang Hangyi , Li Yue , Hayakawa Katsumi , Mori Susumu 
Published: June 2013

PurposeTo analyze diffusion tensor imaging (DTI) in two types of cerebral palsy (CP): the athetotic‐type and the spastic‐type, using an atlas‐based anatomical analysis of the entire brain, and to investigate whether these images have unique anatomical characteristics that can support functional diagnoses.Materials and MethodsWe retrospectively analyzed the DTI of seven children with athetotic‐type, 11 children with spastic‐type, and 20 healthy control children, all age‐matched. The severity of motor dysfunction was evaluated with the Gross Motor Function Classification System (GMFCS). The images were normalized using a linear transformation, followed by large deformation diffeomorphic metric mapping. For 205 parcellated brain areas, the volume, fractional anisotropy, and mean diffusivity were measured. Principal component analysis (PCA) was performed for the Z‐scores of these parameters.ResultsThe GMFCS scores in athetotic‐type were significantly higher than those in spastic‐type (P< 0.001). PCA extracted anatomical components that comprised the two types of CP, as well as the severity of motor dysfunction. In the athetotic group, the abnormalities were more severe than in the spastic group. In the spastic group, significant changes were concentrated in the lateral ventricle and periventricular structures.ConclusionOur results quantitatively delineated anatomical characteristics that reflected the functional findings in two types of CP. J. Magn. Reson. Imaging 2013;38:288–298. © 2013 Wiley Periodicals, Inc.