bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gold‐Catalyzed Annulations of 2‐Alkynyl Benzaldehydes with Vinyl Ethers: Synthesis of Dihydronaphthalene, Isochromene, and Bicyclo[2.2.2]octane Derivatives
Authors: Malhotra Deepika , Liu Le‐Ping , Mashuta Mark S. , Hammond G. B. 
Published: January 2013

AbstractWith the suitable selection of a gold catalyst as well as the appropriate control of the reaction conditions, various new gold‐catalyzed cyclizations of 2‐alkynyl benzaldehyde with acyclic or cyclic vinyl ethers have been developed. Acetal‐tethered dihydronaphthalene and isochromenes were obtained from the reactions of 2‐alkynyl benzaldehydes with acyclic vinyl ethers under mild conditions. And, more interestingly, the gold‐catalyzed reactions of 2‐alkynyl benzaldehyde with a cyclic vinyl ether afforded the bicyclo[2.2.2]octane derivative involving two molecules of cyclic vinyl ethers. These products contain interesting substructures that have been found in many biologically active molecules and natural products. In addition, a gold‐catalyzed homo‐dimerization of 2‐phenylethynyl benzaldehyde 1 a was observed when the reaction was carried out in the absence of vinyl ether, affording a set of separable diastereomeric products. Plausible mechanisms for these transformations are discussed; a gold‐containing benzopyrylium was regarded as the crucial intermediate by which a number of these new transformations took place.
Large‐Scale Production of Hierarchical TiO2 Nanorod Spheres for Photocatalytic Elimination of Contaminants and Killing Bacteria
Authors: Bai Hongwei , Liu Zhaoyang , Liu Lei , Sun Darren Delai 
Published: January 2013

AbstractWe report a facile non‐hydrothermal method for the large‐scale production of hierarchical TiO2 nanorod spheres for the photocatalytic elimination of contaminants and killing bacteria. Crescent Ti/RF spheres were prepared by deliberately adding titanium trichloride (TiCl3) to the reaction of resorcinol (R) and formaldehyde (F) in an open reactor under heating and stirring. The hierarchical TiO2 nanorod spheres were obtained by calcining the crescent Ti/RF spheres in a furnace in air to burn off the RF spheres. This method has many merits, such as large‐scale production, good crystallisation of TiO2, and good reproducibility, all of which are difficult to realise by conventional hydrothermal methods. The calcination temperature plays a significant role in influencing the morphology, crystallisation, porosity, Brunauer–Emmett–Teller (BET) specific surface area, and hierarchy of the TiO2 nanorod spheres, thus resulting in different photocatalytic performances under UV light and solar light irradiation. The experimental results have demonstrated that the hierarchical TiO2 nanorod spheres obtained after calcination of the crescent Ti/RF spheres at different temperatures displayed similar photocatalytic activities under irradiation with UV light. We attribute this to a balance of opposing effects of the investigated factors. A higher calcination temperature leads to greater light absorption capability of the TiO2 nanorod spheres, thus resulting in higher photocatalytic antibacterial activity under solar light irradiation. It is also interesting to note that the hierarchical TiO2 nanorod spheres displayed intrinsic antibacterial activity in the absence of light irradiation, apparently because their sharp outward spikes can easily pierce and penetrate the walls of bacteria. In this study, the sharpest hierarchical TiO2 nanorod spheres were obtained after calcination at 500 °C, and these exhibited the highest antibacterial activity without light irradiation. A higher calcination temperature proved detrimental to the sharpness of the TiO2 nanorods, thus reducing their intrinsic antibacterial activity.
Nanoscale Control of Polyoxometalate Assembly: A {Mn8W4} Cluster within a {W36Si4Mn10} Cluster Showing a New Type of Isomerism
Authors: Winter Ross S. , Yan Jun , Busche Christoph , Mathieson Jennifer S. , Prescimone Alessandro , Brechin Euan K. , Long De‐Liang , Cronin Leroy 
Published: January 2013

AbstractTwo near isomeric clusters containing a novel {Mn8W4} Keggin cluster within a [W36Mn10Si4O136(OH)4(H2O)8]24− cluster are reported: K10Li14 [W36Si4O136MnII10(OH)4(H2O)8] (1) and K10Li13.5Mn0.25[W36Si4O136MnII10(OH)4(H2O)8] (1′). Bulk characterization of the clusters has been carried out by single crystal X‐ray structure analysis, ICP‐MS, TGA, ESI‐MS, CV and SQUID‐magnetometer analysis. X‐ray analysis revealed that 1′ has eight positions within the central Keggin core that were disordered W/Mn whereas 1 contained no such disorder. This subtle difference is due to a differences is how the two clusters assemble and recrystallize from the same mother liquor and represents a new type of isomerism. The rapid recrystallization process was captured via digital microscopy and this uncovered two “intermediate” types of crystal which formed temporarily and provided nucleation sites for the final clusters to assemble. The intermediates were investigated by single crystal X‐ray analysis and revealed to be novel clusters K4Li22[W36Si4Mn7O136(H2O)8]⋅56 H2O (2) and Mn2K8Li14[W36Si4Mn7O136(H2O)8]⋅45 H2O (3). The intermediate clusters contained different yet related building blocks to the final clusters which allowed for the postulation of a mechanism of assembly. This demonstrates a rare example where the use X‐ray crystallography directly facilitated understanding the means by which a POM assembled.
Equilibrium, Kinetic, and Thermodynamic Studies on the Adsorption of Triclosan onto Multi‐Walled Carbon Nanotubes
Authors: Zhou Shiqing , Shao Yisheng , Gao Naiyun , Deng Jing , Tan Chaoqun 
Published: January 2013

AbstractThe increased accumulation of toxic pharmaceuticals and personal care products in the environment is a concern of worldwide relevance. Efficient technologies are needed to mitigate the level of such chemicals in natural waters. The suitability of multi‐walled carbon nanotubes (MWCNTs) to remove aqueous triclosan (a widely used anti‐microbial agent) was investigated in the present study. Tested operational parameters included the pH (3.0–11.0) value and the ionic strength (10−3, 10−2, and 10−1 M). Kinetic and thermodynamic studies were conducted at different initial concentrations (4, 8, and 10 mg/L) and temperatures (288, 298, and 308 K). Results showed higher triclosan adsorption at pH 3.0 (157.7 mg/g) than at pH 11.0 (103.9 mg/g). With an increase of ionic strength from 10−3 to 10−2 M, the adsorption capacity increased from 136.1 to 153.1 mg/g and from 80.8 to 105.8 mg/g at pH 3.0 and 10.0, respectively, while further increase of ionic strength to 10−1 M slightly reduced the triclosan adsorption to 149.9 and 94.7 mg/g due to the aggregation of MWCNTs. The Polanyi–Manes model (PMM) provided a best fitting of adsorption isotherms to the experimental data, and the kinetic process was well described by the pseudo second‐order kinetic model. The calculated thermodynamic parameters (ΔH0 = −88.08 kJ/mol, ΔS0 = −173.38 J/mol K) suggested that the adsorption of triclosan is spontaneous and exothermic in nature. The findings of the present work have significant implications for the removal of triclosan from aqueous solution with MWCNTs.
Cytologic and cystoscopic predictors of recurrence and progression in patients with low‐grade urothelial carcinoma
Authors: Jackson Julie , Barkan Güliz A. , Kapur Umesh , Wojcik Eva M. 
Published: January 2013

BACKGROUNDPatients with low‐grade urothelial carcinoma (LGUC) are at risk of recurrence and must undergo lifelong surveillance. To date, cytology and cystoscopy are the gold standard for the detection of de novo and recurrent LGUC. The objective of the current study was is to further characterize the role of cytology and cystoscopy in determining the risk of recurrence and progression in these patients.METHODSThe authors retrospectively identified patients with LGUC who had urine cytology within 2 months of biopsy, and data were abstracted from their electronic charts. Electronic medical records were reviewed for cystoscopic findings and histologic and cytologic follow‐up data over a 5‐year period. Statistical analysis was performed with chi‐square tests.RESULTSIn total, 76 patients were identified who had histologic follow‐up material available, and 49% of those patients demonstrated progression or recurrence of urothelial carcinoma. The initial presence of multiple lesions on cystoscopy was associated with any recurrence or progression (67.7% vs 31%; P = .002), tumor size >2 cm was associated with initial positive or suspicious urine cytology (23.8% vs 3.7%; P = .076), and positive or suspicious initial cytology was associated with high‐grade recurrence (58.3% vs 19.4%; P = .009).CONCLUSIONSCystoscopic findings, such as the presence of multiple lesions, together with concurrent positive or suspicious urine cytology, were associated with recurrence or progression of LGUC. These findings may help to identify high‐risk patients. Cancer (Cancer Cytopathol) 2012;121:398–402. © 2012 American Cancer Society.
Comparative study of epidermal growth factor receptor mutation analysis on cytology smears and surgical pathology specimens from primary and metastatic lung carcinomas
Authors: Khode Renu , Larsen Douglas A. , Culbreath Brianne C. , Parrish Shane , Walker Kimberly L. , Sayage‐Rabie Lubna , Beissner Robert S. , Rao Arundhati 
Published: January 2013

BACKGROUNDThe detection of epidermal growth factor receptor (EGFR) mutations on small biopsy or fine‐needle aspiration samples is required to guide therapy in nonsmall cell lung cancer (NSCLC). In this study, the authors compared results from EGFR mutation testing on both cytologic smears and surgical specimens and also compared the performance of platforms using 2 different technologies (pyrosequencing and real‐time polymerase chain reaction) for both specimen types.METHODSSpecimens from 114 patients were divided into 2 subsets. The first subset had 60 paired cytology smears and surgical specimens, including 37 paired specimens from the same site and 23 paired specimens from different sites. The second subset consisted of nonpaired cytology smears and formalin‐fixed, paraffin‐embedded (FFPE) tissues (including 8 cell blocks), which were compared on the pyrosequencing and real‐time polymerase chain reaction platforms. Laser‐capture microscopy was used to enrich tumor in the FFPE specimens before DNA extraction.RESULTSAll cytology smears that were used in the study were adequate for analysis on both platforms. Comparison between smears and concurrent FFPE tissues from the same anatomic site had a concordance rate of 97%. The concordance rate between the pyrosequencing platform and the real‐time polymerase chain reaction platform was 84% and 85% for FFPE tissues and cytology smears, respectively.CONCLUSIONSThe current results indicated that direct extraction and analysis of EGFR mutations from cytology smears can be performed successfully on both a pyrosequencing platform and a real‐time polymerase chain reaction platform with results comparable to those achieved in matched surgical specimens. In fine‐needle aspiration/endobronchial ultrasound samples with limited tissue, cytology smears can be important for molecular analysis. Cancer (Cancer Cytopathol) 2013;121:361–369. © 2012 American Cancer Society.
Variable extent of parallelism in respiratory, circulatory, and neurological traits across lake whitefish species pairs
Authors: Evans Melissa L. , Chapman Lauren J. , Mitrofanov Igor , Bernatchez Louis 
Published: January 2013

AbstractParallel adaptive radiation events provide a powerful framework for investigations of ecology's contribution to phenotypic diversification. Ecologically driven divergence has been invoked to explain the repeated evolution of sympatric dwarf and normal lake whitefish (Coregonus clupeaformis) species in multiple lakes in eastern North America. Nevertheless, links between most putatively adaptive traits and ecological variation remain poorly defined within and among whitefish species pairs. Here, we examine four species pairs for variation in gill, heart, and brain size; three traits predicted to show strong phenotypic responses to ecological divergence. In each of the species pairs, normals exhibited larger body size standardized gills compared to dwarfs – a pattern that is suggestive of a common ecological driver of gill size divergence. Within lakes, the seasonal hypoxia experienced in the benthic environment is a likely factor leading to the requirement for larger gills in normals. Interestingly, the morphological pathways used to achieve larger gills varied between species pairs from Québec and Maine, which may imply subtle non‐parallelism in gill size divergence related to differences in genetic background. There was also a non‐significant trend toward larger hearts in dwarfs, the more active species of the two, whereas brain size varied exclusively among the lake populations. Taken together, our results suggest that the diversification of whitefish has been driven by parallel and non‐parallel ecological conditions across lakes. Furthermore, the phenotypic response to ecological variation may depend on genetic background of each population.
Established Static Models of Spin Crossover
Authors: Pavlik Ján , Boča Roman 
Published: January 2013

AbstractVarious models describing the stationary temperature‐induced phenomenon of spin crossover in metal complexes are briefly discussed. The emphasis is put on the usability of the presented models as tools for the quantitative interpretation of experimental data. The empirical approaches are first reviewed, which are usually called thermodynamic models or Ising‐like models depending on their macroscopic or microscopic representation. These form a suitable reference base for the other, more principal approaches that covers ligand field models, elasticity models and vibronic models for which interpretation of the ad hoc parameters is offered and eventually new consequences are appearing. Finally, insight into Monte Carlo modelling is presented, which appears as a perspective for theoretical analysis of spin transition.
Photomagnetic Studies of Spin‐Crossover‐ and Photochromic‐Based Complexes
Authors: Faulmann Christophe , Chahine Joe , Valade Lydie , Chastanet Guillaume , Létard Jean‐François , de Caro Dominique 
Published: January 2013

AbstractThis work reports on the combination between photochromic complexes (Na2[Fe(CN)5(NO)]·2H2O and K2[RuCl5(NO)]) with spin‐crossover compounds derived from FeIII complexes {[Fe(qsal)2]+ and [Fe(salEen)2]+; Hqsal = N‐(8‐quinolyl)salicylaldimine; HsalEen = N‐[(2‐ethylamino)ethyl]salicylaldimine}. These associations have resulted in the synthesis of new materials that contain a spin‐crossover unit and a photochromic unit, as evidenced by their X‐ray structure. Spectroscopic, magnetic and photomagnetic properties of these complexes were studied, with or without light irradiation, to evaluate the possible influence of the photochromic group on the spin transition. [Fe(qsal)2]2[Fe(CN)5(NO)]·solvent, [Fe(salEen)2]2[Fe(CN)5(NO)] and [Fe(qsal)2]2[Ru(CN)5(NO)]·2.5H2O all exhibit a spin transition. The light‐induced excited spin‐state trapping (LIESST) effect was detected in the (Fe‐qsal)‐based complexes. [Fe(qsal)2]2[Ru(CN)5(NO)]·2.5H2O also exhibits a reverse‐LIESST effect. Regardless of the complex, no photochromic effect from the nitroprusside units was detected.
Morphology Evolution in Mesoporous Titania Block Copolymer Composite Films with Increasing Sol–Gel Reaction Time
Authors: Cheng Ya‐Jun , Zhou Shaoying , Wolkenhauer Markus , Bumbu Gina‐Gabriela , Lenz Sebastian , Memesa Mine , Nett Sebastian , Emmerling Sebastian , Steffen Werner , Gutmann Jochen S. 
Published: January 2013

AbstractA morphology evolution of thin films of titania from spherical mesopores to worm‐shaped mesopores was realized by simply varying the sol–gel reaction time from 46 min to 25 h in the quadruple system consisting of polystyrene–block‐poly(ethylene oxide) (PS–b‐PEO), 1,4‐dioxane, concentrated HCl, and titanium tetraisopropoxide (TTIP). Imaging techniques including scanning electron microscopy (SEM) and atomic force microscopy (AFM) were applied to investigate the local structure change of the as‐prepared, calcined, and UV‐degraded composite films. Grazing incidence small angle X‐ray scattering (GISAXS) experiments prove that the structure change in local areas is representative of that over the macroscopic scale. An X‐ray reflectivity (XRR) investigation reveals that the vertical structure change happens when the sol–gel reaction is extended from 5 to 25 h. A combination of imaging and scattering techniques provides a powerful tool to elucidate the impact of the sol–gel reaction time on the morphology evolution of the composite films. Dynamic light scattering (DLS) studies imply that the morphology evolution within the films is due to the structure change in solution. A mechanism of the morphology evolution with sol–gel reaction time is proposed on the basis of these results, which provide not only a new way to control the morphology of titania block copolymer composite films but also deep insights into the kinetics of the amphiphilic block copolymer templating process.
Phenolic acid content and sensory properties of two Spanish monovarietal virgin olive oils
Authors: Rivas Ana , Sanchez‐Ortiz Araceli , Jimenez Brigida , García‐Moyano Jesus , Lorenzo Maria Luisa 
Published: January 2013

AbstractIn recent years, phenolic acids have received considerable attention as they are essential to olive oil quality and nutritional properties. This study aims to validate a rapid and sensitive method based on ultra‐performance liquid chromatography/time‐of‐flight mass spectrometry (UPLC–TOF‐MS) for analyzing the phenolic acid content of olive oil and assessing its impact on virgin olive oil (VOO) sensory attributes. Once this method was validated, we used it to evaluate the phenolic acid composition of several Spanish monovarietal virgin olive oils in relation to nine different olive ripening stages. The results obtained confirm that the methodology developed in this study is valid for extracting and analyzing phenolic acids from VOO. The phenolic acid content of the virgin olive oils sampled was proven to be influenced by the type of cultivar and olive harvest date. Therefore, phenolic acids might be used as potential markers for olive oil cultivar or ripening stage. Finally, the data obtained indicate that the sensory properties of VOO may be differently affected by its phenolic acid content depending on the type of cultivar.Practical applications: The method validated in the present study – based on UPLC‐TOF‐MS – allows experts to assess the phenolic acid content of different VOO cultivars (varieties). This application will probably be very useful to the olive oil industry. The reason is that our study revealed that phenolic acids have an impact on the sensory quality of VOO, which is essential to consumer preferences and choice. In addition, there are phenolic acids that are only found in a particular variety of olive oil obtained from fruits at a specific ripening stage. Consequently, phenolic acids could be used as potential markers for olive oil variety and harvest time.
Comparison of Targeted Next‐Generation Sequencing (NGS) and Real‐Time PCR in the Detection of EGFR, KRAS, and BRAF Mutations on Formalin‐Fixed, Paraffin‐Embedded Tumor Material of Non‐Small Cell Lung Carcinoma—Superiority of NGS
Authors: Tuononen Katja , Mäki‐Nevala Satu , Sarhadi Virinder Kaur , Wirtanen Aino , Rönty Mikko , Salmenkivi Kaisa , Andrews Jenny M. , Telaranta‐Keerie Aino I. , Hannula Sari , Lagström Sonja , Ellonen Pekka , Knuuttila Aija , Knuutila Sakari 
Published: January 2013

AbstractThe development of tyrosine kinase inhibitor treatments has made it important to test cancer patients for clinically significant gene mutations that influence the benefit of treatment. Targeted next‐generation sequencing (NGS) provides a promising method for diagnostic purposes by enabling the simultaneous detection of multiple mutations in various genes in a single test. The aim of our study was to screen EGFR, KRAS, and BRAF mutations by targeted NGS and commonly used real‐time polymerase chain reaction (PCR) methods to evaluate the feasibility of targeted NGS for the detection of the mutations. Furthermore, we aimed to identify potential novel mutations by targeted NGS. We analyzed formalin‐fixed, paraffin‐embedded (FFPE) tumor tissue specimens from 81 non‐small cell lung carcinoma patients. We observed a significant concordance (from 96.3 to 100%) of the EGFR, KRAS, and BRAF mutation detection results between targeted NGS and real‐time PCR. Moreover, targeted NGS revealed seven nonsynonymous single‐nucleotide variations and one insertion‐deletion variation in EGFR not detectable by the real‐time PCR methods. The potential clinical significance of these variants requires elucidation in future studies. Our results support the use of targeted NGS in the screening of EGFR, KRAS, and BRAF mutations in FFPE tissue material. © 2012 Wiley Periodicals, Inc.
Decreased muscle concentrations of ATP and PCR in the quadriceps muscle of fibromyalgia patients – A 31P‐MRS study
Authors: Gerdle B. , Forsgren M.F. , Bengtsson A. , Leinhard O. Dahlqvist , Sören B. , Karlsson A. , Brandejsky V. , Lund E. , Lundberg P. 
Published: January 2013

AbstractBackground and MethodsFibromyalgia (FMS) has a prevalence of approximately 2% in the population. Central alterations have been described in FMS, but there is not consensus with respect to the role of peripheral factors for the maintenance of FMS. 31P Magnetic Resonance Spectroscopy (31P‐MRS) has been used to investigate the metabolism of phosphagens in muscles of FMS patients, but the results in the literature are not in consensus. The aim was to investigate the quantitative content of phosphagens and pH in resting quadriceps muscle of patients with FMS (n = 19) and in healthy controls (Controls; n = 14) using 31P‐MRS. It was also investigated whether the concentrations of these substances correlated with measures of pain and/or physical capacity.ResultsSignificantly lower concentrations of adenosine triphosphate (ATP) and phosphocreatinine (PCr; 28–29% lower) were found in FMS. No significant group differences existed with respect to inorganic phosphate (Pi), Pi/PCr and pH. The quadriceps muscle fat content was significantly higher in FMS than in Controls [FMS: 9.0 ± 0.5% vs. Controls: 6.6 ± 0.6%; (mean ± standard error); P = 0.005]. FMS had significantly lower hand and leg capacity according to specific physical test, but there were no group differences in body mass index, subjective activity level and in aerobic fitness. In FMS, the specific physical capacity in the leg and the hand correlated positively with the concentrations of ATP and PCr; no significant correlations were found with pain intensities.ConclusionsAlterations in intramuscular ATP, PCr and fat content in FMS probably reflect a combination of inactivity related to pain and dysfunction of muscle mitochondria.