bluuebunny/crossref_metadata_2025_split huggingface dataset:
Intranasal Odorant Concentrations in Relation to Sniff Behavior
Authors: Beauchamp Jonathan , Scheibe Mandy , Hummel Thomas , Buettner Andrea 
Published: April 2014

AbstractKnowledge on how odorants are transported through the nasal cavity to the olfactory epithelium is limited. One facet of this is how the sniffing behavior affects the abundance of odorants transferred to the olfactory cleft and in turn influences odor perception. A novel system that couples an online mass spectrometer with an odorant pulse delivery olfactometer was employed to characterize intranasal odorant concentrations of butane‐2,3‐dione (or butanedione, commonly known as diacetyl) at the interior naris and the olfactory cleft. Volunteers (n=12) were asked to perform different modes of sniffing in relation to the sniff intensity that were categorized as ‘normal’, ‘rapid’ and ‘forced’. The highest concentrations of butanedione at both positions in the nose were observed during normal sniffing, with the lowest concentrations correlating with periods of forced sniffs. This corresponded to the panelists' ratings that normal sniffing elicited the highest odor intensities. These feasibility assessments pave the way for more in‐depth analyses with a variety of odorants of different chemical classes at various intranasal positions, to investigate the passage and uptake of odorants within the nasal cavity.
Chemical Composition and Biological Activity of the Essential Oil of Origanum vulgare ssp. hirtum from Different Areas in the Southern Apennines (Italy)
Authors: Mancini Emilia , Camele Ippolito , Elshafie Hazem S. , De Martino Laura , Pellegrino Carlo , Grulova Daniela , De Feo Vincenzo 
Published: April 2014

AbstractThe chemical composition of the essential oils of Origanum vulgare ssp. hirtum, growing wild in three different localities in the Southern Apennines, was studied by GC‐FID and GC/MS analyses. In total, 103 compounds were identified. The oils were mainly composed of phenolic compounds and all oils belonged to the chemotype carvacrol/thymol. The three essential oils were evaluated for their in vitro phytotoxic activity by determining their influence on the germination and initial radicle elongation of Sinapis arvensis L., Phalaris canariensis L., Lepidium sativum L., and Raphanus sativus L. The seed germination and radicle growth were affected in various degrees. Moreover, the antifungal activity of the three essential oils was assayed against three species causing pre‐ and postharvest fruit decay (Monilinia laxa, M. fructigena, and M. fructicola). At 1000 ppm, the three oils completely inhibited fungal growth. The hemolytic activity of the oils was assayed and showed no effect on the cell membranes of bovine erythrocytes.
Progress and Challenges in Electrical Comminution by High‐Voltage Pulses
Authors: Shi Fengnian , Manlapig Emmy , Zuo Weiran 
Published: April 2014

AbstractThe recent progress in electrical comminution using high‐voltage pulses and the technical challenges in order to bring this technology to the mining industry are outlined. Pre‐weakening ore particles and preferential liberation of minerals at coarse sizes are the two major research outcomes that may have potential benefits for the industry. A particle pre‐weakening characterization method by single‐particle/single‐pulse test has been developed. The emerging challenges for the mining industry to realize the benefits of this novel comminution technology include scale‐up for industrial application, hybrid circuit design, maximization of pulse‐induced cracks, and study of the downstream processing effects.
CFD‐Discrete Element Method Simulations Combined with Compression Experiments to Characterize Stirred‐Media Mills
Authors: Beinert Stefan , Schilde Carsten , Gronau Greta , Kwade Arno 
Published: April 2014

AbstractMicromechanical aggregate properties are correlated with stress conditions during the dispersion process in a stirred‐media mill. The fracture energy distribution of the aggregates measured via micro‐compression tests is compared with the stress energy distribution in a stirred‐media mill determined by CFD‐discrete element method simulations and by an analytical model. The simulations are likened with a previously conducted one‐way coupling. Furthermore, the rotor speed is varied to identify its influence on stress energy and number of contacts. Using the stress energy distribution and the measured fracture distribution, an effective dispersion fraction can be calculated and correlated with the dispersion progress.
Evaluation of Impact Velocity and Compression Force of Moist Zeolite 4A Granules at Breakage using an Equivalence Function
Authors: Mueller Peter , Aman Sergej , Tomas Juergen 
Published: April 2014

AbstractMoist, spherical zeolite 4A granules were tested by compression at a constant loading velocity until primary breakage, and were also rectilinearly accelerated and impacted to achieve breakage using a pneumatic canon. The compressive breakage force and the impact breakage velocity distributions were determined. The results obtained by compression and impact tests were evaluated using the model from Rozenblat et al. The results show that the empirical model originally applied for polydisperse particle population is valid for different moisture contents as well. Furthermore, moisture content is found to strongly influence material behavior, where the breakage force and the breakage displacement both decrease with increasing moisture content due to the interactions of zeolite 4A granules with water.
A Highly Fluorescent Metallosalalen‐Based Chiral Cage for Enantioselective Recognition and Sensing
Authors: Dong Jinqiao , Zhou Yanfang , Zhang Fangwei , Cui Yong 
Published: April 2014

AbstractA highly fluorescent coordination cage [Zn8L4I8] has been constructed by treating enantiopure pyridyl‐functionalized metallosalalen units (L) with zinc(II) iodide and characterized by a variety of techniques including microanalysis, thermogravimetric analysis (TGA), circular dichroism (CD) spectroscopy, and single‐crystal and powder X‐ray diffraction. Strong intermolecular π–π, CH⋅⋅⋅π, and CH⋅⋅⋅I interactions direct packing of the cage molecules to generate a 3D polycage network interconnected by pentahedral cages formed by adjacent pentamers. The cage has an amphiphilic helical cavity decorated with chiral NH functionalities capable of interactions with guest species such as saccharides. The fluorescence of the cage was greatly enhanced by five enantiomeric saccharides in solution, with enantioselectivity factors of 2.480–4.943, and by five enantiomeric amines in the solid state, with enantioselective fluorescence enhancement ratios of 1.30–3.60. This remarkable chiral sensing of both saccharides and amines with impressive enantioselectivity may result from the steric confinement of the cavity as well as its conformational rigidity. It holds great promise for the development of novel chiral cage materials for sensing applications.
Ruthenoarenes versus Phenol Derivatives as Axial Linkers for Subporphyrazine Dimers and Trimers
Authors: Caballero Esmeralda , Romero‐Nieto Carlos , Strauß Volker , Rodríguez‐Morgade M. Salomé , Guldi Dirk M. , Sessler Jonathan L. , Torres Tomás 
Published: April 2014

AbstractThe subporphyrazine (SubPz) dimer diboron(III) [μ‐1′,4′‐benzenediolato][bis‐(1,2,6,7,11,12‐hexapropylsubporphyrazinato)] (2) and trimer triboron(III)[μ‐1′,3′,5′‐benzenetriolato][tris‐(1,2,6,7,11,12‐hexapropylsubporphyrazinato)] (4), consisting of SubPz units assembled through their axial positions by hydroquinone‐ and phloroglucinol‐linkers, respectively, have been prepared. Selective ruthenium‐π‐coordination to the linking aromatic rings afforded SubPz arrays 8 and 9, respectively. These latter systems displayed different degrees of electronic communication between the macrocycles relative to 2 and 4 as inferred from analyses of the ground‐ and excited‐state features. For instance, as revealed by time‐resolved pump probe transient absorption spectroscopy, the excited singlet states of dimer 2 and trimer 4 undergo rather rapid deactivation. In contrast, the presence of a ruthenoarene linker, as in 8 and 9, serves to increase the SubPz singlet excited state lifetimes; these now reach values similar to those seen in the case of monomeric SubPz compounds that either do or do not contain ruthenoarene subunits (i.e., 7 and 6, respectively). These findings are ascribed to the redox active nature of the hydroquinone and phloroglucinol linkers in 2 and 4 and a change in the electronics that results from organometallic functionalization.
Influence of the Alkyl Chain Length on the Self‐Assembly of Amphiphilic Iron Complexes: An Analysis of X‐ray Structures
Authors: Schlamp Stephan , Thoma Peter , Weber Birgit 
Published: April 2014

AbstractSeveral new amphiphilic iron complexes were synthesised and characterised by single crystal X‐ray structure analysis. The Schiff‐base‐like equatorial ligands contain long alkyl chains in their outer periphery with chain lengths of 8, 12, 16 and 22 carbon atoms. As axial ligands methanol, pyridine, 4‐aminopyridine, 4‐(dimethylamino)pyridine and 1,2‐bis(4‐pyridyl)ethane were used. X‐ray structure analysis of the products reveals different coordination numbers, depending on the combination of equatorial and axial ligand. The driving force for this is the self‐assembly to lipid‐layer‐like arrangements. This can be controlled through the chain lengths and the dimension of the axial ligands in a crystal‐engineering‐like approach. For this an empirical rule is introduced concerning the crystallisation behaviour of the complexes. The efficacy of this rule is confirmed with the crystallisation of an octahedral complex with two docosyl (C22) chains in the outer periphery. The rule is also applied to other ligand systems.
Synthesis of Mesoporous TiO2/SiO2 Hybrid Films as an Efficient Photocatalyst by Polymeric Micelle Assembly
Authors: Li Yunqi , Bastakoti Bishnu Prasad , Imura Masataka , Hwang Soo Min , Sun Ziqi , Kim Jung Ho , Dou Shi Xue , Yamauchi Yusuke 
Published: April 2014

AbstractThermally stable mesoporous TiO2/SiO2 hybrid films with pore size of 50 nm have been synthesized by adopting the polymeric micelle‐assembly method. A triblock copolymer, poly(styrene‐b‐2‐vinyl pyridine‐b‐ethylene oxide), which serves as a template for the mesopores, was utilized to form polymeric micelles. The effective interaction of titanium tetraisopropoxide (TTIP) and tetraethyl orthosilicate (TEOS) with the polymeric micelles enabled us to fabricate stable mesoporous films. By changing the molar ratio of TEOS and TTIP, several mesoporous TiO2/SiO2 hybrid films with different compositions can be synthesized. The presence of amorphous SiO2 phase effectively retards the growth of anatase TiO2 crystal in the pore walls and retains the original mesoporous structure, even at higher temperature (650 °C). These TiO2/SiO2 hybrid films are of very high quality, without any cracks or voids. The addition of SiO2 phase to mesoporous TiO2 films not only adsorbs more organic dyes, but also significantly enhances the photocatalytic activity compared to mesoporous pure TiO2 film without SiO2 phase.
Chiral (1,2)‐Diphenylethylene‐Salen Complexes of Triel Metals: Coordination Patterns and Mechanistic Considerations in the Isoselective ROP of Lactide
Authors: Maudoux Nicolas , Roisnel Thierry , Dorcet Vincent , Carpentier Jean‐François , Sarazin Yann 
Published: April 2014

AbstractThe synthesis of enantiomerically pure aluminium, gallium and indium complexes supported by chiral (R,R)‐(HHONNOHH) (1), (R,R)‐(MeHONNOHMe) (2), (R,R)‐(tButBuONNOtButBu) (3), (R,R)‐(MeNO2ONNOMeNO2) (4), (R,R)‐(HOMeONNOHOMe) (5) and (R,R)‐(ClClONNOClCl) (6) (1,2)‐diphenylethylene‐salen ligands is described. Several of these complexes have been crystallographically authenticated, which highlights a diversity of coordination patterns. Whereas all Ga complexes form [Ga2(CH2SiMe3)4(ONNO)] bimetallic species (ONNO=1–3), aluminium [AlR(ONNO)] (R=Me, CH2SiMe3) and indium [In(CH2SiMe3)(ONNO)] derivatives are monometallic for ONNO=1, 2 and 4–6, and only form the bimetallic complexes [Al2R4(ONNO)] and [In2(CH2SiMe3)4(ONNO)] for the most sterically crowded ligand 3. The [AlMe(ONNO)] complexes react with iPrOH to give [AlOiPr(ONNO)] complexes that are robust towards further iPrOH. The [In(CH2SiMe3)(ONNO)] congeners are inert towards excess alcohol, whereas the Ga compounds decompose easily. All these alkyl complexes, as well as the [AlOiPr(ONNO)] derivatives, catalyse the ring‐opening polymerisation (ROP) of racemic lactide (rac‐LA). The [AlMe(ONNO)] complexes require additional alcohol to afford controlled reactions, but [AlOiPr(ONNO)] complexes are single‐component catalysts for the isoselective ROP of rac‐LA, with values of Pm in the range 0.80–0.90. Experimental evidence unexpectedly shows that chain‐end control leads to the isoselectivity of these aluminium catalysts; also, the more crowded the coordination sphere, the higher the isoselectivity. The bimetallic Ga complexes do not afford controlled reactions, but the binary [In(ONNO)(CH2SiMe3)/(PhCH2OH)] systems competently mediate non‐stereoselective ROP; evidence is given that an activated monomer mechanism is at work. Kinetic studies show that catalytic activity decreases when electronic density and steric congestion at the metal atom increase.
Arginine Side Chains as a Dispersant for Individual Single‐Wall Carbon Nanotubes
Authors: Hirano Atsushi , Tanaka Takeshi , Kataura Hiromichi , Kameda Tomoshi 
Published: April 2014

AbstractCharged peptides and proteins disperse single‐wall carbon nanotubes (SWCNTs) in aqueous solutions. However, little is known about the role of their side chains in their interactions with SWCNTs. Homopolypeptide–SWCNT systems are ideal for investigating the mechanisms of such interactions. In this study, we demonstrate that SWCNTs are individually dispersed by poly‐L‐arginine (PLA). The debundled SWCNTs exhibited a distinct fluorescence. The dispersibility of SWCNTs with PLA was greater than that of SWCNTs with poly‐L‐lysine (PLL). Molecular dynamics simulations suggest that the side chains of PLA have stronger interactions with the sidewalls of SWCNTs compared with those of PLL. The guanidinium group at the end of the side chain of an arginine residue plays an important role in the interaction with SWCNTs, likely through hydrophobic, van der Waals, and π–π interactions. PLA can be useful as a tool for the dispersion of SWCNTs and can be used to non‐covalently anchor materials to SWCNTs with strong binding.
The Synthesis of Benzimidazoles and Quinoxalines from Aromatic Diamines and Alcohols by Iridium‐Catalyzed Acceptorless Dehydrogenative Alkylation
Authors: Hille Toni , Irrgang Torsten , Kempe Rhett 
Published: April 2014

AbstractBenzimidazoles and quinoxalines are important N‐heteroaromatics with many applications in pharmaceutical and chemical industry. Here, the synthesis of both classes of compounds starting from aromatic diamines and alcohols (benzimidazoles) or diols (quinoxalines) is reported. The reactions proceed through acceptorless dehydrogenative condensation steps. Water and two equivalents of hydrogen are liberated in the course of the reactions. An Ir complex stabilized by the tridentate P^N^P ligand N2,N6‐bis(di‐isopropylphosphino)pyridine‐2,6‐diamine revealed the highest catalytic activity for both reactions.
Hexavalent Chromium Removal from Solutions: Surface Efficacy and Characterizations of Three Iron Containing Minerals
Authors: Baig Shams Ali , Wang Qian , Wang Zhuoxing , Zhu Jin , Lou Zimo , Sheng Tiantian , Xu Xinhua 
Published: April 2014

AbstractIn the present study, coupled reduction–sorption of Cr(VI) using three iron containing minerals (magnetite, hematite, and pyrrhotite) in aqueous solutions was investigated as a function of solution pH, contact time, and particle size. Detailed characterizations were performed using Brunauer–Emmett–Teller (BET), environmental scanning electron microscopy, and X‐ray diffraction (XRD) techniques. Results demonstrated that over 99% of Cr(VI) removal was achieved just after 1 min of the reaction using pyrrhotite with particle size (100–200 mesh). In comparison, removal efficiency of hematite and magnetite against Cr(VI) was below 40% after 2 h of the reaction. Acidic aqueous medium proved effective for Cr(VI) removal and nearly 100% Cr(VI) removal was achieved at pH 3 using pyrrhotite (30–40 mesh), while the surface efficacy of hematite and magnetite has also improved in acidic solution. In terms of removal efficiency, the three minerals followed the order: pyrrhotite > magnetite > hematite. However, no significant difference in the BET specific surface area was recorded among these minerals, but the mineralogical compositions played an important role for removing Cr(VI) in aqueous solutions. Analysis of XRD pattern revealed that iron contents produce Fe3FeSiO4(OH)5 and FeCr2O4 after the reaction with soluble Cr(VI) and precipitated. This study suggested that high ferrous ions‐based minerals can effectively remove Cr(VI) from contaminated water environments.
Limited utility of routine surveillance imaging for classical Hodgkin lymphoma patients in first complete remission
Authors: Pingali Sai Ravi , Jewell Sarah W. , Havlat Luiza , Bast Martin A. , Thompson Jonathan R. , Eastwood Daniel C. , Bartlett Nancy L. , Armitage James O. , Wagner‐Johnston Nina D. , Vose Julie M. , Fenske Timothy S. 
Published: April 2014

BACKGROUNDThe objective of this study was to compare the outcomes of patients with classical Hodgkin lymphoma (cHL) who achieved complete remission with frontline therapy and then underwent either clinical surveillance or routine surveillance imaging.METHODSIn total, 241 patients who were newly diagnosed with cHL between January 2000 and December 2010 at 3 participating tertiary care centers and achieved complete remission after first‐line therapy were retrospectively analyzed. Of these, there were 174 patients in the routine surveillance imaging group and 67 patients in the clinical surveillance group, based on the intended mode of surveillance. In the routine surveillance imaging group, the intended plan of surveillance included computed tomography and/or positron emission tomography scans; whereas, in the clinical surveillance group, the intended plan of surveillance was clinical examination and laboratory studies, and scans were obtained only to evaluate concerning signs or symptoms. Baseline patient characteristics, prognostic features, treatment records, and outcomes were collected. The primary objective was to compare overall survival for patients in both groups. For secondary objectives, we compared the success of second‐line therapy and estimated the costs of imaging for each group.RESULTSAfter 5 years of follow‐up, the overall survival rate was 97% (95% confidence interval, 92%‐99%) in the routine surveillance imaging group and 96% (95% confidence interval, 87%‐99%) in the clinical surveillance group (P = .41). There were few relapses in each group, and all patients who relapsed in both groups achieved complete remission with second‐line therapy. The charges associated with routine surveillance imaging were significantly higher than those for the clinical surveillance strategy, with no apparent clinical benefit.CONCLUSIONSClinical surveillance was not inferior to routine surveillance imaging in patients with cHL who achieved complete remission with frontline therapy. Routine surveillance imaging was associated with significantly increased estimated imaging charges. Cancer 2014;120:2122–2129. © 2014 American Cancer Society.
Patterns of recurrence after trimodality therapy for esophageal cancer
Authors: Dorth Jennifer A. , Pura John A. , Palta Manisha , Willett Christopher G. , Uronis Hope E. , D'Amico Thomas A. , Czito Brian G. 
Published: April 2014

BACKGROUNDPatterns of failure after neoadjuvant chemoradiotherapy and surgery for esophageal cancer are poorly defined.METHODSAll patients in the current study were treated with trimodality therapy for nonmetastatic esophageal cancer from 1995 to 2009. Locoregional failure included lymph node failure (NF), anastomotic failure, or both. Abdominal paraaortic failure (PAF) was defined as disease recurrence at or below the superior mesenteric artery.RESULTSAmong 155 patients, the primary tumor location was the upper/middle esophagus in 18%, the lower esophagus in 32%, and the gastroesophageal junction in 50% (adenocarcinoma in 79% and squamous cell carcinoma in 21%) of patients. Staging methods included endoscopic ultrasound (73%), computed tomography (46%), and positron emission tomography/computed tomography (54%). Approximately 40% of patients had American Joint Committee on Cancer stage II disease and 60% had stage III disease. The median follow‐up was 1.3 years. The 2‐year locoregional control, event‐free survival, and overall survival rates were 86%, 36%, and 48%, respectively. The 2‐year NF rate was 14%, the isolated NF rate was 3%, and the anastomotic failure rate was 6%. The 2‐year PAF rate was 9% and the isolated PAF rate was 5%. PAF was found to be increased among patients with gastroesophageal junction tumors (12% vs 6%), especially for the subset with ≥ 2 clinically involved lymph nodes at the time of diagnosis (19% vs 4%).CONCLUSIONSFew patients experience isolated NF or PAF as their first disease recurrence. Therefore, it is unlikely that targeting additional regional lymph node basins with radiotherapy would significantly improve clinical outcomes. Cancer 2014;120:2099–2105. © 2014 American Cancer Society.
Usefulness of GATA3 and p40 immunostains in the diagnosis of metastatic urothelial carcinoma in cytology specimens
Authors: Brandler Tamar C. , Aziz Mohamed S. , Rosen Lisa M. , Bhuiya Tawfiqul A. , Yaskiv Oksana 
Published: April 2014

BACKGROUNDGATA3 (GATA‐binding protein 3) expression in urothelial carcinoma (UC) and mammary carcinomas has been recently reported. However, to the authors' knowledge, studies examining GATA3 staining of metastatic UC (MUC) in cytology specimens are lacking. Delta Np63 (p40) has been shown to be expressed highly selectively in squamous cell carcinomas (SCCs) but the literature concerning the expression of p40 in UC is limited and controversial. In the current study, the authors evaluated the usefulness of GATA3 and p40 in the diagnosis of MUC in cytology specimens.METHODSThirty‐two MUC cytology cases and 44 controls (22 UC cases and 22 SCC cases) were stained for GATA3, p40, and p63 and nuclear staining intensity and the percentage of positive cells were recorded and compared.RESULTSMUC cytology cases stained positive for GATA3, p40, and p63 in 78.13%, 80.65%, and 61.29% of cases, respectively, with moderate/strong staining intensity. MUC cases had a significantly higher percentage of GATA3 positivity compared with SCC controls (P < .001), but GATA3 positivity was not found to be significantly different from UC controls (90.91%) (P = .28). For p40 positivity, there was no significant difference observed between MUC cases, UC controls (95.45%), and SCC controls (90.91%) (P = .29). p63 positivity was found to be significantly lower in MUC cases compared with UC controls (95.45%) and SCC controls (95.45%) (P < .01).CONCLUSIONSThe results of the current study demonstrate that GATA3 is useful in confirming the diagnosis of MUC in cytology specimens and in distinguishing between MUC and SCC. p40 is a valuable adjunct to GATA3 in the diagnosis of MUC in cytology specimens, especially when SCC is not part of the clinical differential diagnosis. Cancer (Cancer Cytopathol) 2014;122:468–473. © 2014 American Cancer Society.