bluuebunny/crossref_metadata_2025_split huggingface dataset:
Study to Determine the Criterion Validity of the SenseWear Armband as a Measure of Physical Activity in People With Rheumatoid Arthritis
Authors: Tierney Marie , Fraser Alexander , Purtill Helen , Kennedy Norelee 
Published: December 2012

ObjectiveMeasuring physical activity in people with rheumatoid arthritis (RA) is of great importance in light of the increased mortality in this population due to cardiovascular disease. Validation of activity monitors in specific populations is recommended to ensure the accuracy of physical activity measurement. Thus, the purpose of this study was to determine the validity of the SenseWear Pro3 Armband (SWA) as a measure of physical activity during activities of daily living (ADL) in people with RA.MethodsFourteen subjects (8 men and 6 women) with a diagnosis of RA were recruited from rheumatology clinics at the Mid‐Western Regional Hospitals, Limerick, Ireland. Participants undertook a series of ADL of varying intensities. The SWA was compared to the criterion measures of the Oxycon Mobile indirect calorimetry system (energy expenditure in kJ) and of manual video observation (step count). Bland and Altman, intraclass correlation coefficient (ICC), and correlation analyses were done using SPSS, version 19.0.ResultsThe SWA showed substantial agreement (ICC 0.717, P < 0.001) and a strong relationship (Pearson's correlation coefficient = 0.852) compared with the criterion measure when estimating energy expenditure during ADL. However, it was found that the SWA overestimated energy expenditure, particularly at higher intensity levels. The ability of the SWA to estimate step counts during ADL was poor (ICC 0.304, P = 0.038).ConclusionThe SWA can be considered a valid tool to estimate energy expenditure during ADL in the RA population; however, attention should be paid to its tendency to overestimate energy expenditure.
Novel Electronic and Magnetic Properties of Two‐Dimensional Transition Metal Carbides and Nitrides
Authors: Khazaei Mohammad , Arai Masao , Sasaki Taizo , Chung Chan‐Yeup , Venkataramanan Natarajan S. , Estili Mehdi , Sakka Yoshio , Kawazoe Yoshiyuki 
Published: December 2012

AbstractLayered MAX phases are exfoliated into 2D single layers and multilayers, so‐called MXenes. Using first‐principles calculations, the formation and electronic properties of various MXene systems, M2C (M = Sc, Ti, V, Cr, Zr, Nb, Ta) and M2N (M = Ti, Cr, Zr) with surfaces chemically functionalized by F, OH, and O groups, are examined. Upon appropriate surface functionalization, Sc2C, Ti2C, Zr2C, and Hf2C MXenes are expected to become semiconductors. It is also derived theoretically that functionalized Cr2C and Cr2N MXenes are magnetic. Thermoelectric calculations based on the Boltzmann theory imply that semiconducting MXenes attain very large Seebeck coefficients at low temperatures.
Water‐Soluble Chiral Ruthenium(II) Phenyloxazoline Complex: Reusable and Highly Enantioselective Catalyst for Intramolecular Cyclopropanation Reactions
Authors: Abu‐Elfotoh Abdel‐Moneim , Nguyen Diem Phuong Thi , Chanthamath Soda , Phomkeona Kesiny , Shibatomi Kazutaka , Iwasa Seiji 
Published: December 2012

AbstractThe intramolecular cyclopropanation of various trans‐allylic diazoacetates and alkenyl diazoketones has been achieved with excellent enantioselectivities of up to 98% ee and in quantitative yields by using a water‐soluble ruthenium(II)/hydroxymethyl(phenyl)oxazoline catalyst in a water/ether biphasic medium. The catalyst could be reused at least five times.
Synthesis and Functionalization of Unsymmetrical Arylsulfonyl Bisindoles and Bisbenzazoles
Authors: Lancianesi Stefano , Palmieri Alessandro , Petrini Marino 
Published: December 2012

AbstractA three‐component coupling of two different benzazole compounds with p‐toluenesulfinic acid allows the efficient preparation of unsymmetrical arylsulfonyl bisbenzazole derivatives. Substitution of the arylsulfonyl group from these adducts using sodium borohydride leads to the corresponding bisbenzazoles. Functional implementation of the bisbenzazole system can be achieved using Grignard and Reformatsky reagents.
Photo‐Induced Sonogashira CC Coupling Reaction Catalyzed by Simple Copper(I) Chloride Salt at Room Temperature
Authors: Sagadevan Arunachalam , Hwang Kuo Chu 
Published: December 2012

AbstractThe conventional thermal Sonogashira CC coupling reaction requires the use of a palladium catalyst and a large amount of ligands. Although there were a few reports describing the use of inexpensive metal catalysts, such as, copper (Cu), iron (Fe), and nickel (Ni), for replacement of palladium (Pd) in the Sonogashira reactions, it was later questioned that the observed effects were due to ppb levels contamination of Pd present in the reagents used in the reactions. Herein, we report that simple copper(I) chloride (CuCl) salt, in the absence of Pd and ligands, can catalyze the Sonogashira reaction with high yields (80–99%) under blue LED light irradiation at room temperature. Control experiments show that no cross‐coupling product was formed, when palladium(II) chloride (PdCl2) was used to replace CuCl as a catalyst. A series of electron‐rich and electron‐poor substituted aryl halides (bromides and iodides) as well as aryl‐ and alkylacetylenes are examined and the reaction mechanism is discussed.
Intermolecular Gold(I)‐Catalyzed Alkyne Carboalkoxylation Reactions for the Multicomponent Assembly of β‐Alkoxy Ketones
Authors: Schultz Danielle M. , Babij Nicholas R. , Wolfe John P. 
Published: December 2012

AbstractA new gold(I)‐catalyzed multicomponent synthesis of β‐alkoxy ketones from aldehydes, alcohols, and alkynes is described. This atom economical synthesis was achieved through the use of the gold complex (SPhos)AuNTf2 as a catalyst, and allows for the preparation of a diverse array of β‐alkoxy ketone products. Mechanistic studies illustrate that these reactions proceed via gold(I)‐catalyzed hydrolysis of the alkyne to an aryl ketone, which then undergoes an aldol reaction with an oxocarbenium ion generated in situ from the aldehyde and alcohol components.
Properties of particulate resin‐luting agents with phosphate and carboxylic functional methacrylates as coupling agents
Authors: Habekost Luciano V. , Camacho Guilherme B. , Lima Giana S. , Ogliari Fabrício A. , Piva Evandro , Moraes Rafael R. 
Published: December 2012

AbstractThis study investigated properties of resin‐luting agents using silane [3‐(trimethoxysilyl)propyl methacrylate (TSPM)], phosphoric acid methacrylate (PAM) [mono/bis(methacryloyloxyethyl (di)hydrogen phosphate)], or carboxylic acid methacrylate (CAM) [mono‐2‐(methacryloyloxy)ethyl maleate] as coupling agents between the inorganic and organic phases. Ba‐B‐Al‐Si microparticles (3 μm) and SiO2 nanoparticles (7 nm) were coated with TSPM, PAM, or CAM (control = no filler coating). A Bis‐GMA/triethyleneglycol dimethacrylate comonomer was loaded with 60% mass of inorganic fillers. The properties evaluated were degree of CC conversion (DC), flexural strength (σ), and modulus (Ef), Knoop hardness number (KHN), and film thickness (FT). Dispersion/interaction of the particles with the resin phase was assessed by scanning electron microscopy (SEM). No significant differences in DC were observed. For σ and Ef, TSPM > CAM > Control > PAM. For KHN, TSPM > CAM > PAM = Control. For FT, TSPM < Control < CAM < PAM. The SEM analysis revealed clustering of nanoparticles for all groups and better organic–inorganic phases interaction for TSPM and CAM. The use of TSPM generated agents with improved properties as compared with the acidic methacrylates, with CAM showing better performance than PAM. The use of PAM generated agents with properties usually poorer compared with the material with no coupling agent. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Preparation and characterization of cerium‐doped titanium dioxide/ultrahigh‐molecular‐weight polyethylene porous composites with excellent photocatalytic activity
Authors: Gong Lixiu , Zhou Zhufa , Wang Shumei , Wang Ben 
Published: December 2012

AbstractPorous ultrahigh‐molecular‐weight polyethylene (UHMWPE)‐based composites filled with surface‐modified Ce‐doped TiO2 nanoparticles (Ce–TiO2/UHMWPE) were prepared by template dissolution. The composites were characterized by Fourier transform infrared spectroscopy, ultraviolet (UV)–visible spectroscopy, diffuse reflectance spectra, and scanning electron microscopy); the photocatalytic activity was also evaluated by the decomposition of methyl orange under UV exposure. The results demonstrate that the severe aggregation of Ce–TiO2 nanoparticles could be reduced by surface modification via a silane coupling agent (KH570). The Ce–TiO2/UHMWPE porous composites exhibited a uniform pore size. Doping with Ce4+ effectively extended the spectral response from the UV to the visible region and enhanced the surface hydroxyl groups of the TiO2 attached to the matrix. With a degradation rate of 85.3%, the 1.5 vol % Ce–TiO2/UHMWPE sample showed the best photocatalytic activity. The excellent permeability of the porous composites is encouraging for their possible use in wastewater treatment. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
A new softening agent for melt spinning of softwood kraft lignin
Authors: Nordström Ylva , Norberg Ida , Sjöholm Elisabeth , Drougge Rickard 
Published: December 2012

AbstractKraft lignin obtained from the pulping of wood is an interesting new precursor material for carbon fiber production because of its high carbon content and ready availability. However, continuous spinning of softwood kraft lignin (SKL) has been impossible because of its insufficient softening characteristics and neat hardwood kraft lignin (HKL) has required extensive pretreatments to enable fiber formation. Softwood kraft lignin permeate (SKLP) and hardwood kraft lignin permeate (HKLP), fractionated by membrane filtration, were continuously melt spun into fibers. To improve the spinnability of SKL and HKL, HKLP was added as a softening agent. SKL‐ and HKL‐based fibers were obtained by adding 3–98 wt % HKLP. A suitable temperature range for spinning was 20–85°C above the Tg of the lignin samples, and this range gave a flawless appearance according to the SEM analysis. Smooth, homogeneous fibers of SKLP, HKLP, and SKL with HKLP were successfully processed into solid carbon fibers. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Microstructure and shape memory effect of acidic carbon nanotubes reinforced polyvinyl alcohol nanocomposites
Authors: Du Fei‐Peng , Ye En‐Zhou , Tang Chak‐Yin , Ng Sun‐Pui , Zhou Xing‐Ping , Xie Xiao‐Lin 
Published: December 2012

AbstractSpecimens of acidic multi‐walled carbon nanotubes (AMWNTs) reinforced polyvinyl alcohol (PVA) nanocomposites (AMWNTs‐PVA) were prepared using different amounts of AMWNTs by the traditional solution casting, involving ultrasonic wave agitation. The microstructures and tensile properties of AMWNTs‐PVA were investigated by scanning electron microscopy, dynamic mechanical analysis, and quasi‐static tensile testing. AMWNTs had good compatibility with PVA and dispersed evenly in the PVA matrix. The incorporation of AMWNTs improved the tensile modulus and strength of the PVA. The shape recovery testing revealed the shape recovery capacity of AMWNTs‐PVA. It was observed that the recovery ratio increased, and the shape recovery rate slightly decrease with the increase of AMWNTs content. The results showed that the AMWNTs had strong interaction with the segments of the PVA and hence affected the shape recovery behavior of PVA. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Steep Increase in Myonuclear Domain Size During Infancy
Authors: Delhaas Tammo , Van der Meer Sander F.T. , Schaart Gert , Degens Hans , Drost Maarten R. 
Published: December 2012

AbstractWe investigated whether myonuclear number increases in proportion to the increase in fiber size during maturational growth of skeletal muscle. Thoraco‐abdominal muscle tissue was obtained from twenty 6‐day to 15‐year‐old boys and girls during cardiothoracic surgery. Cross‐sections were stained by anti‐laminin for the basal lamina and by DAPI to identify nuclei. Basal lamina was traced on digital images to measure the fiber cross‐sectional area (FCSA). Nuclei located within the basal lamina were considered myonuclei if pax7‐negative and satellite cell nuclei if pax7‐positive. Samples of two children were excluded from analysis because of clear signs of hypoxia as shown by positive carbonic anhydrase IX staining. Linear regression showed that FCSA increased with age by 187 μm2·per annum (R2 = 0.90; P < 0.001). Satellite cell density showed a dramatic decrease in the first months of life, but this was not accompanied by an increase in myonuclei per muscle fiber cross‐section. Till four years of age the number of myonuclei per muscle fiber cross‐section remained relatively constant but increased thereafter. Myonuclear domain size showed a steep increase during infancy and reached adult values in the young adolescent phase. Anat Rec, 2013. © 2012 Wiley Periodicals, Inc.
Biological Evaluation of Androstene Derivatives
Authors: Garrido Mariana , Bratoeff Eugene , García‐Lorenzana Mario , Heuze Yvonne , Soriano Juan , Valencia Norma , Cortes Francisco , Cabeza Marisa 
Published: December 2012

AbstractThe effect of several new dihydroepiandrosterone ester derivatives A2–A6 was demonstrated using female cycling mice, which were synchronized for estrus with luteinizing hormone‐releasing hormone (LHRH) and injected with the steroids. The binding to the progesterone receptor (PR), was obtained from the cytosol of uteri from adult estrogen‐primed rabbits. A1 binds to the PR and inhibited the ovulation in cycling mice stimulated with LHRH. The activity of the endometrium and mammary glands in these mice was markedly reduced as compared to the control. A2, A4, and A5 were not active; nevertheless, A3 binds to the PR with high affinity. However, this steroid did not produce any effect as compared to that observed for the control in the endometrial and mammary glands. A6 binds to the PR with the highest affinity and induces a synergistic activity with progesterone in these tissues. Furthermore, A6 inhibited the ovulation in the same manner as A1. These results suggested that A1 and A6 are blocking the gonadotropin secretion. A1 inhibited the conversion of progesterone to 5α‐progesterone. As a result of this, a blockage of the ductal and alveolar epithelial cell proliferation in the mammary and endometrial glands, which depends on 5α‐progesterone, was also observed.
Heterocycle‐linked Phenylbenzyl Amides as Novel TRPV1 Antagonists and Their TRPV1 Binding Modes: Constraint‐Induced Enhancement of In Vitro and In Vivo Activities
Authors: Kim Nam‐Jung , Li Fu‐Nan , Lee Jin Hee , Park Seul‐gi , Kim Kyeojin , Lim Changjin , Han Young Taek , Yun Hwayoung , Jung Jong‐Wha , Park Hyeung‐geun , Kim Hee‐Doo , Woo Byoung Young , Shin Song Seok , Kim Sun‐Young , Choi Jin Kyu , Jeong Yeon‐Su , Park Yanghui , Park Young‐Ho , Kim Dae‐Duk , Choi Sun , Suh Young‐Ger 
Published: December 2012

AbstractA series of heterocycle‐linked constrained phenylbenzyl amides were found to be TRPV1 antagonists with promising in vivo profiles. In particular, one of the analogues containing a furan linker exhibited excellent TRPV1 antagonistic activity and in vivo analgesic efficacy. In addition, the binding modes of dibenzyl thiourea, benzylphenethyl amide, and furan‐linked phenylbenzyl amide were examined by using the flexible docking study within the rTRPV1 homology model.
Das Vermächtnis von Lonesome George
Authors: Kronberg Inge 
Published: December 2012

Abstract“Lonesome George ist tot” – diese Nachricht ging um die Welt. Die hundertjährige Galapagos‐Riesenschildkröte war die letzte ihrer Art und damit aus menschlicher Sicht wohl das einsamste Tier auf der Erde. Lonesome George war und ist eine Symbolfigur für bedrohte Tierarten, nicht nur auf Galapagos. Der Verlust belebt die Diskussion darüber, wie man seltene Arten erhalten kann.
Auch Pflanzen drängeln
Authors: Brennicke Axel 
Published: December 2012

AbstractWie zwischen allen Lebewesen herrscht auch unter Pflanzen ein unerbittlicher Krieg um Ressourcen. Beim Kampf um das Licht geht es darum, nicht im Schatten zu stehen und sich im wahrsten Sinne des Wortes ins beste Licht zu setzen. Die erste Wahrnehmung eines vom Nachbarn herüber wachsenden Blattes geschieht über die direkte Berührung – lange bevor die Pflanze im Schatten steht.
Adsorption Kinetic and Equilibrium Studies on Removal of Lead(II) onto Glutamic Acid/Sepiolite
Authors: Karaoğlu M. Hamdi , Kula İbrahim , Uğurlu Mehmet 
Published: December 2012

AbstractIn this study, a modified method was used to increase the adsorption of lead ions from aqueous solutions by using modified clay mineral on the laboratory scale. Adsorption experiments have been carried out on the use of both thermal activated sepiolite (TAS) and their glutamate/sepiolite modification (GS) as adsorbents. The experimental data was analyzed using adsorption kinetic models (pseudo first‐ and second‐order equations). The pseudo second‐order kinetic model fitted well to the kinetic data (R2 ≥ 0.99). Then, the Freundlich and Langmuir models were applied to describe the uptake of Pb(II) on GS and the Langmuir isotherm model agrees well with the equilibrium experimental data (R2 ≥ 0.97). The maximum adsorption capacity was observed to be 128.205 mg/g by GS according to the Langmuir equation. Desorption efficiency of the GS was studied by the batch method using EDTA, HCl, and HNO3 solutions. Desorption of 69.18, 74.55, and 80% of Pb(II) from GS was achieved with 0.1 M EDTA, 0.1 M HCl, and 0.1 M HNO3 solutions, respectively. FTIR analysis suggests the importance of functional groups such as amino, hydroxyl, and carboxyl during Pb(II) removal. SEM observations demonstrated that an important interaction at the lead‐modified sepiolite interface occurred during the adsorption process. In addition, the thermodynamic constants was calculated that the values of the Gibbs free energy (ΔG*), enthalpy (ΔH*), and entropy (ΔS*) of modification were 86.79 kJ/mol, −18.91 kJ/mol, and −354.70 J/mol/K, respectively. The negative value of ΔH* shows exothermic nature of adsorption.
Pseudohalide‐Controlled Assemblies of Copper–Schiff Base Complexes with an Encapsulated Sodium Ion: Synthesis, Crystal Structure, and Computational Studies
Authors: Maiti Monami , Sadhukhan Dipali , Thakurta Santarupa , Sen Shubhatam , Zangrando Ennio , Butcher Ray J. , Deka Ramesh C. , Mitra Samiran 
Published: December 2012

AbstractThree new hetero‐bimetallic coordination complexes [Na(CuIIL1)2](ClO4)·0.5H2O (1), [Na(CuIIL2)2][CuI2(μ1,3‐NCS)3]n (2), and {[Na(CuIIL3)2](μ1,5‐dca)}n (3; dca = dicyanamide) have been synthesized by using different Schiff base ligands [e.g., L1H2 = N,N′‐bis(3‐methoxysalicylidenimino)‐1,3‐diaminopentane, L2H2 = N,N′‐bis(3‐ethoxysalicylidenimino)‐1,3‐diaminopropane, and L3H2 = N,N′‐bis(5‐bromo‐3‐methoxysalicylidenimino)‐1,3‐diaminopropane] in the presence of pseudohalide coligands N3–, SCN–, and N(CN)2– (dca), respectively. The ligands and the complexes have been characterized by microanalytical and spectroscopic techniques. The structures of the complexes, determined by single‐crystal X‐ray diffraction studies, show that in all cases a trinuclear Na(CuIIL)2 unit is formed, but of different configurations. 1 does not include N3– anions. In contrast, in 2, SCN– extrudes partial in situ reduction of CuII to lead to the formation of an infinite [CuI2(μ1,3‐NCS)3]n anionic chain; and in 3, N(CN)2– bridges the metal–ligand assemblies to form a 1D polymeric chain. ESI‐MS, UV/Vis spectroscopy, and cyclic voltammetry were performed to investigate the solution‐state behavior of the complexes. Theoretical calculations of the optimized geometries of the complexes were carried out at the BLYP/DNP level to determine their relative stabilities from the HOMO–LUMO gap and chemical softness values.
Sulfite Anions as Structure‐Directing Templates for the Engineering of Modular Polyoxometalates
Authors: Miras Haralampos N. , Chilas George I. , Cronin Leroy , Kabanos Themistoklis A. 
Published: December 2012

AbstractPolyoxometalates (POMs) are anionic metal oxides and encompass a diverse family of nanosized compounds with an unmatched range of architectures and physical properties. The use of the pyramidal sulfite anion, with its numerous coordination modes, has introduced structural diversity into the POM‐based chemical systems, giving rise to the formation of novel synthons for the construction of unprecedented architectures ranging from low‐nuclearity, isolable secondary building units to POM‐based molecular nanoparticles, open‐framework and 3D coordination materials, and the emergence of novel properties.
Synthesis of Ruthenium Half‐Sandwich Complexes by Naphthalene Replacement in [CpRu(C10H8)]+
Authors: Perekalin Dmitry S. , Karslyan Eduard E. , Trifonova Evgeniya A. , Konovalov Andrew I. , Loskutova Natalia L. , Nelyubina Yulia V. , Kudinov Alexander R. 
Published: December 2012

AbstractReplacement of the naphthalene ligand in ruthenium complex [CpRu(C10H8)]+ (1) by halide anions readily proceeds at room temperature to give insoluble oligomeric species [CpRuX]n (X = Cl, Br, I). Similar reactions in the presence of mono‐ or bidentate ligands afford complexes [CpRuL2X] where L = CO, P(OMe)3, tBuNC; L2 = dppm, dppe, dppp, bipy, phen, cod, nbd, or 1,4‐diphenylbutadiene. Useful catalysts [CpRu(cod)X] were obtained by this method in 70–90 % yields. The structure of [CpRu(cod)I] was determined by X‐ray diffraction. Reaction of 1 with Br– and allyl bromide afforded RuIV complex [CpRu(η3‐C3H5)]Br2. Cation 1 also was found to react with azide anion in the presence of bidentate phosphanes to afford [CpRuL2N3] (L2 = dppm, dppe). Reaction of 1 with neutral ligands in the absence of nucleophilic anions proceeded under visible‐light irradiation to give cationic complexes [CpRuL3]+ [L = CO, P(OMe)3, P(OEt)3, tBuNC] in 80–90 % yields. Complex 1 (2 mol‐%) catalyzed cyclotrimerization of dipropargyl Meldrum's acid with various alkynes RC≡CH [R = H, Bu, Hex, Ph, SiMe3, (CH2)4C≡CH, (CH2)3OH, (CH2)2Br, CH2OMe, CH2OAc, CH2NMeBoc] producing benzene derivatives in 50–85 % yields. According to DFT calculations, the attack of the first ligand (Cl– or L) is a rate‐determining step in the naphthalene replacement in 1. The activation barrier for attack of the Cl– anion is ca. 10 kcal mol–1 lower in energy than that of the neutral ligands L = CO, MeNC, MeCN, thus providing a rationale for the faster reaction in the presence of halide anions. The barriers for naphthalene replacement in 1 were also found to be ca. 10–15 kcal mol–1 lower in energy than those for the benzene replacement in [CpRu(C6H6)]+.
Synthesis and Two‐Photon Absorption Properties of Star‐Shaped Chromophores Derived from Functionalized Fluorene Units
Authors: Lin Tzu‐Chau , Liu Che‐Yu , Huang Bor‐Rong , Lin Ja‐Hon , Shen Yu‐Kai , Wu Cheng‐Yu 
Published: December 2012

AbstractA set of small star‐shaped chromophores composed of three fluorene‐based congeners have been synthesized and shown experimentally to possess strong and widely dispersed two‐photon absorptivities in the visible to near‐IR region under the irradiation of femtosecond and nanosecond laser pulses. In addition, the number of electron‐donating fluorenyl units incorporated in the final structure was closely connected to the molecular two‐photon activities of these model compounds. Effective optical power attenuation and stabilization behaviors of these dye molecules in the nanosecond time domain were also investigated. The results indicate that such a structural motif could be useful in the molecular design of strong two‐photon absorbing material systems for quick‐responding and broadband optical suppressing‐related applications, particularly for laser pulses with long durations in the near‐IR region.