bluuebunny/crossref_metadata_2025_split huggingface dataset:
Crystal structure, dielectric properties of (K0.5Na0.5)NbO3 single crystal grown by flux method using B2O3 flux
Authors: Saravanan R. , Rajesh D. , Rajasekaran S.V. , Perumal R. , Chitra M. , Jayavel R. 
Published: January 2013

AbstractLead free piezoelectric single crystals of sodium potassium niobate (K0.5Na0.5)NbO3 (KNN) were grown by high‐temperature solution method using two different fluxes; one with a mixture of NaF and KF and other with addition of B2O3 along with the mixture. In the present study, the growth of KNN crystals without B2O3 flux and the same with B2O3 flux were compared. It was found that additions of small amounts of B2O3 lowered the melting temperature of the solid solution and enabled better dielectric properties. Phase analysis showed that all samples were crystallized in pure orthorhombic perovskite phase. AFM morphological studies showed that the addition of B2O3 flux increased the roughness of the grown crystal. Further, addition of B2O3 flux slightly decreased the orthorhombic to tetragonal phase transition temperature T(O—T) and the Curie temperature TC. The ferroelectric behaviour of KNN single crystal has been investigated at room temperature. The crystal grown using B2O3 flux exhibited a remanent polarization (Pr) ∼ 32 μC/cm2 and coercive field (Ec) of ∼11.8 kV/cm whereas the crystal grown without the use of B2O3 flux had a remanent polarization (Pr) ∼ 36 μC/cm2 and coercive field (Ec) of ∼14.6 kV/cm.
Study on crystallization kinetics and the crystal internal defects of HMX
Authors: Cao Xuhan , Duan Xiaohui , Pei Chonghua 
Published: January 2013

AbstractIn this paper, the solubility data of HMX (1,3,5,7‐tetranitro‐1,3,5,7‐tetrazocane) in acetone from 323.15 K to 293.15 K were accurately measured by use of the laser‐monitoring observation technique. Intermittent dynamic method was utilized to study crystallization kinetics of HMX in acetone. The data of crystallization kinetics were obtained by moment analysis, and the parameters of the growth rate and nucleation rate equations were derived by using multiple linear least squares method. Subsequently, growth rate and nucleation rate at different conditions were calculated according to these equations. In addition, Optical Microscopy Images (qualitative) and Particle Apparent Density (quantitative) experiments were applied to study the crystal internal defects of HMX under different crystallization conditions. It can be found that the crystal apparent density of HMX is in the range of 1.8993 g·cm−3 to 1.9017 g·cm−3, very close to the theory density of HMX; the internal defects and the crystal size do not increase after 25 °C, from which we predict that the HMX crystal growth reaches the steady growth segment. These results suggest that the nucleation rate is a significant factor influencing the crystal internal defects, and larger nucleation kinetics can reduce crystal internal defects.
Monodisperse CuO Hard and Hollow Nanospheres as Visible‐Light Photocatalysts
Authors: Liu Rongmei , Yin Jingzhou , Du Wei , Gao Feng , Fan Yongzhang , Lu Qingyi 
Published: January 2013

AbstractIn this study, we investigated the synthesis of monodisperse CuO hard and hollow nanospheres with extraordinary visible‐light photocatalytic abilities for dye photodegradation. The monodisperse CuO hard nanospheres were constructed with assistance from the water‐soluble biopolymer sodium alginate (SA). In alkaline solution, the hard CuO spheres can be gradually corroded by ammonia to form hollow CuO nanospheres under hydrothermal conditions. Their visible‐light photocatalytic activities were investigated and the results show that both of the hard and the hollow CuO spheres have great visible‐light photocatalytic abilities for the photodegradation of dyes. In particular, CuO hollow nanospheres show extraordinary photodegradation activity towards Methyl blue (MB) and it only takes 1 min for 50 mg of CuO hollow spheres to photodegrade 100 mL of 50 mg L–1 MB solution by using solar light and without the assistance of any equipment while for 50 mg of P25 (TiO2), it takes more than 30 min even under UV irradiation. As promising energy‐saving materials, CuO nanospheres would have great application potential in environment protection technology.
Thermal‐, Pressure‐ and Light‐Induced Spin‐Crossover Behaviour in the Two‐Dimensional Hofmann‐Like Coordination Polymer [Fe(3‐Clpy)2Pd(CN)4]
Authors: Martínez Víctor , Arcís Castillo Zulema , Muñoz M. Carmen , Gaspar Ana B. , Etrillard C. , Létard Jean‐François , Terekhov Sergey A. , Bukin Gennadiy V. , Levchenko Georgiy , Real José A. 
Published: January 2013

AbstractThe thermal spin‐crossover behaviour, photoexcitation and subsequent relaxation, as well as the pressure‐induced spin‐crossover behaviour at 298 K are discussed for the non‐porous two‐dimensional Hofmann‐like coordination polymer [Fe(3‐Clpy)2Pd(CN)4] (1). The title compound undergoes a two‐step, cooperative thermal‐induced SCO with critical temperatures Tc1↓ = 159.6 K and Tc1↑ = 164.5 K for the first step and Tc2↓ = 141.4 K and Tc2↑ = 148.4 K for the second step. Irradiation of the low‐spin state with green light (514 nm) at 10 K induced the photoexcitation of around 60 % of the iron(II) centres to the high‐spin state (LIESST effect). The subsequent cooperative relaxation processes were recorded at several temperatures and analysed. The effect of cooperativity on the photoexcitation was investigated by the LITH (light‐induced thermal hysteresis) procedure. At 300 K, the coordination polymer 1 underwent a cooperative spin‐crossover transition at around 0.6 GPa. The thermodynamic analysis of the pressure‐induced SCO transition afforded the enthalpy and cooperativity parameters ΔHHL(p) = 22.01 kJ mol–1 and Γ(p) = 7.47 kJ mol–1, consistent with previous results.
Synthesis and Biological Evaluation of α‐Tubulin‐Binding Pironetin Analogues with Enhanced Lipophilicity
Authors: Carda Miguel , Murga Juan , Díaz‐Oltra Santiago , García‐Pla Jorge , Paños Julián , Falomir Eva , Trigili Chiara , Díaz J. Fernando , Barasoain Isabel , Marco J. Alberto 
Published: January 2013

AbstractFour new lipophilic analogues of the natural pyrone pironetin have been prepared. The C9 side‐chain of the latter has been replaced in one analogue by a 4‐phenylbutyl chain and in the other three analogues by C13 or C16 aliphatic chains, all of them bearing two stereogenic centres. Their cytotoxic activities and interactions with tubulin have been investigated. It was found that all four are cytotoxic towards two either sensitive or resistant tumoral cell lines with similar IC50 values in each case, which indicates that, like the parent natural compound, they also display a covalent mechanism of action. However, one of them operates in all likelihood through a mechanism very similar to pironetin, whereas the other three seem to operate through a different mechanism.
Photoinduced H‐Abstraction in Homo‐ and Protoadamantylphthalimide Derivatives in Solution and in Organized and Constrained Media
Authors: Cindro Nikola , Halasz Ivan , Mlinarić‐Majerski Kata , Basarić Nikola 
Published: January 2013

AbstractThe photochemical reactivity of homoadamantylphthalimide 5 and protoadamantylphthalimides 9 and 10 was investigated in solution, in the β‐cyclodextrin (CD) complex, and in the solid state. The triplet excited states of 5, 9 and 10 were characterized by laser flash photolysis. Sensitized irradiation in solution was found to give rise to polycyclic products through a transiently generated higher excited triplet state, not detectable by LFP. Direct excitation of 5, 9 and 10 gives, in addition to the products arising from the triplet state, cleavage products probably generated through a singlet state. Complexation with β‐cyclodextrin changes the regiochemistry of H‐abstraction. In the solid state, 5 and 9 are both photoreactive though state‐dependent product mixtures are noted. Irradiation of 5 affords only one product whereas irradiation of 9 affords the same product mixture regardless of whether irradiation is performed in the solid state or in CH3CN solution.
Fundamental periods of steel concentrically braced frames designed to Eurocode 8
Authors: Günaydın Egemen , Topkaya Cem 
Published: January 2013

ABSTRACTA two‐phase research program has been undertaken to investigate fundamental natural periods of concentrically braced frames (CBFs) designed according to Eurocode 8 (EC8). In the first phase of the program, over 83,700 buildings were designed, and the accuracy of the lower bound expressions given in well‐known design specifications was evaluated. The results indicated that the lower bound expressions given in EC8 and National Building Code of Canada (NBCC) are acceptable. Although all structures had periods longer than the ones estimated by the EC8 expression, a few structures had shorter periods than the ones estimated by the NBCC expression. In general, the lower bound expressions given in EC8 and NBCC were found to provide over conservative estimates for most cases. In the second phase of the program, a simple hand method was developed to estimate the fundamental natural periods of CBFs designed to EC8. This method requires the use of inelastic top story drift ratio as a parameter to quantify stiffness characteristics. The drift ratios were extracted from the design pool developed as a part of the first phase and represented by simple mathematical relationships. Evaluation of the proposed method indicated that the method is accurate in providing estimates of the fundamental period. To safeguard against providing unconservative estimates, the method was modified to arrive at a new lower bound expression, which significantly improves the estimates compared with the ones provided by the existing expressions. Copyright © 2013 John Wiley & Sons, Ltd.
Pesticides in urban streams and early life stages of pacific coho salmon
Authors: King Kerensa A. , Grue Christian E. , Grassley James M. , Fisk Robert J. 
Published: January 2013

Abstract
Pesticides are frequently detected in urban streams and are believed to be primarily the result of homeowner use. Although concentrations in most cases are low (&lt;1 µg/L), there is concern that pesticide inputs threaten efforts to restore and enhance salmon habitat. The authors exposed early life stages of coho salmon (Oncorhynchus kisutch) to a pesticide mixture (“cocktail”) representative of those pesticides most frequently reported in urban streams in western Washington State, USA. Life stages were continuously exposed to pulses of the cocktail simulating those in urban streams in fall and winter when coho salmon eggs and sac fry are present. Nominal concentrations of eight herbicides, two insecticides, a fungicide, and a breakdown product were the maximum detected. Fertilization, hatching success, survival, deformities, and growth of fry were not significantly affected. A reduction in fertilization success (19–25%) was not reproducible even when gametes were exposed to 100 times the maximum concentrations detected. Based on the end points examined in the present study, the results suggest that direct exposure to the pesticides most frequently detected in urban streams in western Washington does not impair early life stages of coho salmon and is not a major factor governing the recovery of salmon populations. The extent to which pesticide exposure would affect smoltification, outmigration, and ocean survival needs to be determined. Environ. Toxicol. Chem. 2013;32:920–931. © 2013 SETAC
Regional inequity in financing New Cooperative Medical Scheme in Jiangsu, China
Authors: Dai Baozhen , Zhou Lulin , Mei Y. John , Zhan Changchun 
Published: January 2013

ABSTRACTThis study examined the regional inequity in the New Cooperative Medical Scheme (NCMS) financing in Jiangsu, China. Counties were classified into three categories according to socio‐economic development level: South Jiangsu, Middle Jiangsu and North Jiangsu. Five counties (Changshu, Danyang, Gaoyou, Jiangyan and Ganyu) were selected on the basis of the following criteria: (i) NCMS had been implemented before 2005; (ii) county governments were willing and able to collaborate with the research team; and (iii) counties had different socio‐economic development status representing the low, medium and high level of socio‐economic development in Jiangsu. As shown in this study, local governments in Jiangsu took the major NCMS financing responsibilities (75.2% in 2009), and local governments (county and lower) subsidies ranged from 220 RMB per capita in South Jiangsu to 18 RMB per capita in North Jiangsu in 2009, with a larger contribution (73.3%) in South than that in Middle (40.0%) and North Jiangsu (18.0%). For achieving more equity in NCMS financing and carrying NCMS forward, we propose that provincial and municipal governments should increase their contribution to NCMS for balancing the regional inequity in subsidies from county and lower‐level governments, and the risk pool of NCMS should be promoted to a higher level (e.g., provincial). Copyright © 2013 John Wiley & Sons, Ltd.
Adenovirus 36, adiposity, and bone strength in late-adolescent females
Authors: Laing Emma M , Tripp Ralph A , Pollock Norman K , Baile Clifton A , Della-Fera Mary Anne , Rayalam Srujana , Tompkins Stephen M , Keys Deborah A , Lewis Richard D 
Published: January 2013

Abstract
Adenovirus 36 (Ad36) is the only adenovirus to date that has been linked with obesity in humans. Our previous studies in late-adolescent females suggest that excess weight in the form of fat mass is associated with lower cortical bone strength. The purpose of this study was to assess the relationship between Ad36-specific antibodies, adiposity, and bone strength in our sample of late-adolescent females. A cross-sectional study of 115 females aged 18 to 19 years was performed. Participants were classified according to adiposity by dual-energy X-ray absorptiometry (body fat percentage as normal-fat [ &lt; 32% body fat; n = 93] or high-fat [ ≥ 32% body fat; n = 22]), and according to the presence of Ad36-specific neutralizing antibodies. Peripheral quantitative computed tomography measured bone parameters at the 4% (trabecular bone) and 20% (cortical bone) site, and muscle cross-sectional area (MCSA) at the 66% site, from the distal metaphyses of the radius and the tibia. Bone strength was determined from volumetric bone mineral density and bone geometry to calculate bone strength index (BSI; trabecular site) and polar strength–strain index (SSI; cortical site). After adjustment for MCSA and limb length, radial SSI was lower in Ad36+  versus Ad36– subjects from the high-fat group (p &lt; 0.03), but not the normal-fat group. No significant differences were observed between groups in tibial SSI or BSI. These data support an association of adiposity and cortical bone strength at the radius with the presence of neutralizing antibodies to Ad36 in late-adolescent females. © 2013 American Society for Bone and Mineral Research.
Understanding the electronic energy transfer pathways in the trimeric and hexameric aggregation state of cyanobacteria phycocyanin within the framework of Förster theory
Authors: Ren Yanliang , Chi Bo , Melhem Osama , Wei Ke , Feng Lingling , Li Yongjian , Han Xinya , Li Ding , Zhang Ying , Wan Jian , Xu Xin , Yang Minghui 
Published: January 2013

AbstractIn the present study, the electronic energy transfer pathways in trimeric and hexameric aggregation state of cyanobacteria C‐phycocyanin (C‐PC) were investigated in term of the Förster theory. The corresponding excited states and transition dipole moments of phycocyanobilins (PCBs) located into C‐PC were examined by model chemistry in gas phase at time‐dependent density functional theory (TDDFT), configuration interaction‐singles (CIS), and Zerner's intermediate neglect of differential overlap (ZINDO) levels, respectively. Then, the long‐range pigment‐protein interactions were approximately taken into account by using polarizable continuum model (PCM) at TDDFT level to estimate the influence of protein environment on the preceding calculated physical quantities. The influence of the short‐range interaction caused by aspartate residue nearby PCBs was examined as well. Only when the protonation of PCBs and its long‐ and short‐range interactions were properly taken into account, the calculated energy transfer rates (1/K) in the framework of Förster model at TDDFT/B3LYP/6‐31+G* level were in good agreement with the experimental results of C‐PC monomer and trimer. Furthermore, the present calculated results suggested that the energy transfer pathway in C‐PC monomer is predominant from β‐155 to β‐84 (1/K = 13.4 ps), however, from α‐84 of one monomer to β‐84 (1/K = 0.3–0.4 ps) in a neighbor monomer in C‐PC trimer. In C‐PC hexamer, an additional energy flow was predicted to be from β‐155 (or α‐84) in top trimer to adjacent β‐155 (or α‐84) (1/K = 0.5–2.7 ps) in bottom trimer. © 2013 Wiley Periodicals, Inc.
Long‐range corrected functionals satisfy Koopmans' theorem: Calculation of correlation and relaxation energies
Authors: Kar Rahul , Song Jong‐Won , Hirao Kimihiko 
Published: January 2013

AbstractIn this article, we show that the long‐range‐corrected (LC) density functionals LC‐BOP and LCgau‐BOP reproduce frontier orbital energies and highest‐occupied molecular orbital (HOMO)—lowest‐unoccupied molecular orbital (LUMO) gaps better than other density functionals. The negative of HOMO and LUMO energies are compared with the vertical ionization potentials (IPs) and electron affinities, respectively, using CCSD(T)/6‐311++G(3df,3pd) for 113 molecules, and we found LC functionals to satisfy Koopmans' theorem. We also report that the frontier orbital energies and the HOMO‐LUMO gaps of LC‐BOP and LCgau‐BOP are better than those of recently proposed ωM05‐D (Lin et al., J. Chem. Phys. 2012, 136, 154109). We express the exact IP in terms of orbital relaxation, and correlation energies and hence calculate the relaxation and correlation energies for the same set of molecules. It is found that the LC functionals, in general, includes more relaxation effect than Hartree–Fock and more correlation effect than the other density functionals without LC scheme. Finally, we scan μ parameter in LC scheme from 0.1 to 0.6 bohr−1 for the above test set molecules with LC‐BOP functional and found our parameter value, 0.47 bohr−1, is usefully applicable to our tested systems. © 2013 Wiley Periodicals, Inc.
Comparative analysis of viral genomes from acute and chronic hepatitis B reveals novel variants associated with a lower rate of chronicity
Authors: Chook Jack Bee , Ngeow Yun Fong , Khang Tsung Fei , Ng Kee Peng , Tiang Yee Peng , Mohamed Rosmawati 
Published: January 2013

AbstractInfection with the hepatitis B virus (HBV) may lead to an acute or chronic infection. It is generally accepted that the clinical outcome of infection depends on the balance between host immunity and viral survival strategies. In order to persist, the virus needs to have a high rate of replication and some immune‐escape capabilities. Hence, HBVs lacking these properties are likely to be eliminated more rapidly by the host, leading to a lower rate of chronicity. To test this hypothesis, 177 HBV genomes from acute non‐fulminant cases and 1,149 from chronic cases were retrieved from GenBank for comparative analysis. Selection of candidate nucleotides associated with the disease state was done using random guess cut‐off and the Bonferroni correction. Five significant nucleotides were detected using this filtering step. Their predictive values were assessed using the support vector machine classification with five‐fold cross‐validation. The average prediction accuracy was 61% ± 1%, with a sensitivity of 24% ± 1%, specificity of 98% ± 1%, positive predictive value of 92% ± 4% and negative predictive value of 56% ± 1%. BCP/X, enhancer I and surface/polymerase variants were found to be associated almost exclusively with acute hepatitis. These HBV variants are novel potential markers for non‐progression to chronic hepatitis. J. Med. Virol. 85:419–424, 2013. © 2013 Wiley Periodicals, Inc.
Prevalence of human metapneumovirus in children with acute lower respiratory infection in Changsha, China
Authors: Xiao Ni‐guang , Zhang Bing , Xie Zhi‐ping , Zhou Qiong‐hua , Zhang Rong‐fang , Zhong Li‐li , Ding Xiao‐fang , Li Jia , Song Jing‐rong , Gao Han‐chun , Hou Yun‐de , Duan Zhao‐jun 
Published: January 2013

AbstractHuman metapneumovirus (hMPV) causes acute respiratory infections in children. The prevalence and clinical characteristics of hMPV were determined in nasopharyngeal aspirates of children in Changsha, China. Reverse transcription‐polymerase chain reaction (RT‐PCR) or PCR was employed to screen for both hMPV and other common respiratory viruses in 1,165 nasopharyngeal aspirate specimens collected from children with lower respiratory tract infections from September 2007 to August 2008. All PCR products were sequenced, and demographic and clinical data were collected from all patients. Seventy‐six of 1,165 (6.5%) specimens were positive for hMPV, of which 85.5% (65/76) occurred in the winter and spring seasons. The hMPV coinfection rate was 57.9% (44/76), and human bocavirus was the most common virus detected in conjunction with hMPV. Phylogenetic analysis revealed that 94.7% of the hMPV detected were of subgroup A2, 5.3% were subgroup B2, and none belonged to either the A1 or B1 subgroups. No significant differences were found in terms of the frequency of diagnosis and clinical signs between either the co‐ and mono‐infection groups, or between patients with and without underlying diseases. It was concluded that hMPV is an important viral pathogen in pediatric patients with lower respiratory tract infections in Changsha. Only hMPV genotypes A2 and B2 were co‐circulating in this locality; human bocavirus was the most common coinfecting virus, and coinfection did not affect disease severity. J. Med. Virol. 85:546–553, 2013. © 2013 Wiley Periodicals, Inc.
Prevalence of human papillomavirus infection in Argentinean women attending two different hospitals prior to the implementation of the National Vaccination Program
Authors: Chouhy Diego , D'Andrea Rubén Mamprín , Iglesias Mercedes , Messina Analía , Ivancovich Juan J. , Cerda Belen , Galimberti Diana , Bottai Hebe , Giri Adriana A. 
Published: January 2013

AbstractCervarix vaccine was included in the National Immunization Program of Argentina in 2011 but data about the local distribution of human papillomavirus (HPV) infection in women exposed to the virus are scarce. This cross‐sectional study determined the prevalence and type distribution of HPV infection in unvaccinated women attending routine gynecological screening in two public hospitals located in Buenos Aires and Santa Fe, Argentina. Socio‐demographic, sexual behavior, and co‐factors information was obtained from all participants (Buenos Aires, n = 429; Santa Fe, n = 433). Cervicovaginal swabs were tested with an MY11/09 primer‐based assay and with the CUT primer system targeting mucosal/cutaneous HPVs. Participants from Buenos Aires showed significantly higher rates of HPV infection (52.4% vs. 40.6%), of multiple infections (24.2% vs. 16.4%), and of low‐risk (20.3% vs. 13.9%) and high‐risk types (44.1% vs. 33.3%) than those from Santa Fe. HPV‐66 (Buenos Aires: 17%) and HPV‐16 (Santa Fe: 8.5%) were the most prevalent types. Novel HPV‐66 putative subtype and variants were identified. Vaccine types 16 and 18 were frequent (Buenos Aires: 13.5%; Santa Fe: 10.2%) but few participants had co‐infections with both (Buenos Aires: 1.4%; Santa Fe: 0.2%). A common risk factor for HPV infection was having a new sexual partner in the last year (Buenos Aires: OR 2.53, P < 0.001; Santa Fe: OR 1.85, P = 0.04). This study provides valuable baseline data for future assessment of the impact of massive vaccination in Argentina and it underlines the use of additional HPV testing strategies, such as the CUT system, for surveillance and vaccinology. J. Med. Virol. 85:655–666, 2013. © 2013 Wiley Periodicals, Inc.