bluuebunny/crossref_metadata_2025 huggingface dataset:
DMF‐Catalyzed Direct and Regioselective C–H Functionalization: Electrophilic/Nucleophilic 4‐Halogenation of 3‐Oxypyr­azoles
Authors: Liu Yuanyuan , He Guangke , Chen Kai , Jin Yin , Li Yufeng , Zhu Hongjun
Published: August 2011

A novel, straightforward, and highly regioselective 4‐chlorination of 3‐oxypyrazole derivatives in boiling thionyl chloride (SOCl2) in the presence of catalytic N,N‐dimethylformamide (DMF) has been developed. This reaction likely proceeds through a DMF‐catalyzed electrophilic/nucleophilic chlorination mechanism and involves electrophilic attack by SOCl2 and nucleophilic substitution by Cl– as the key steps. Based on this mechanism, the corresponding 4‐bromination and 4‐iodination of 3‐oxypyrazoles have also been achieved in good yield by adding Br– and I–, respectively, to the reaction system. This halogenation method enables quick access to many original 4‐halo‐3‐oxypyrazole series.
Ar‐BINMOLs with Axial and sp3Central Chirality – Characterization, Chiroptical Properties, and Application in Asymmetric Catalysis
Authors: Gao Guang , Bai Xing‐Feng , Yang Hua‐Meng , Jiang Jian‐Xiong , Lai Guo‐Qiao , Xu Li‐Wen
Published: August 2011

2′‐Hydroxy‐1,1′‐binaphthalene‐2‐(arylmethanol) (Ar‐BINMOLs), a family of new 1,1′‐binaphthalene‐2,2′‐diol derivatives, prepared by a [1,2]‐Wittig rearrangement, are introduced as new chiral molecules for the study of the modes of supramolecular aggregation on the basis of ESI‐MS, NMR spectroscopy, differential scanning calorimetry (DSC), and X‐ray diffractometry. Characterization showed that Ar‐BINMOLs exhibit different characteristics to BINOL and act as supramolecules due to hydrogen bonding and aromatic π–π/C–H···π interactions. In particular, CD measurements of chiral and racemic Ar‐BINMOL2ain solution and the solid state show a strong Cotton effect, which revealed that amplification of chirality was observed because of the formation of a chiral supramolecular oligomer derived from the racemic monomer. To this end, the Ar‐BINMOLs were used as supramolecular auxiliaries to mediate the Michael reaction of anthrone to (E)‐β‐nitrostyrene and could give the Michael adduct with comparable enantioselectivities. In addition, the Ar‐BINMOLs act as ligands to promote asymmetric 1,2‐addition of diethylzinc to aldehydes, which resulted in excellent yields and enantioselectivities (up to >99.9 %ee) in the reactions of diethylzinc with a broad range of aromatic aldehdyes.
Electrochemical Performance of a Ni and YSZ Composite Synthesised by Ultrasonic Spray Pyrolysis as an Anode for SOFCs
Authors: Park H. J. , Shao Z. , Wang W. , Moon K. S.
Published: August 2011

The electrochemical performance of an anode material for a solid oxide fuel cell (SOFC) depends highly on microstructure in addition to composition. In this study, a NiO–yttria‐stabilised zirconia (NiO–YSZ) composite with a highly dispersed microstructure and large pore volume/surface area has been synthesised by ultrasonic spray pyrolysis (USP) and its electrochemical characteristics has been investigated. For comparison, the electrochemical performance of a conventional NiO–YSZ is also evaluated. The power density of the zirconia electrolyte‐supported SOFC with the synthesised anode is ∼392 mW cm–2 at 900 °C and that of the SOFC with the conventional NiO–YSZ anode is ∼315 mW cm–2. The improvement is ∼24%. This result demonstrates that the synthesised NiO–YSZ is a potential alternative anode material for SOFCs fabricated with a zirconia solid electrolyte.
Extracellular ATP induces CD44 shedding from macrophage‐like P388D1 cells via the P2X7 receptor
Authors: Lin Changwei , Ren Shuangyi , Zhang Li , Jin Hongfei , Sun Jianguo , Zuo Yunfei
Published: August 2011

The P2X7 receptor (P2X7R) is a nucleotide receptor expressed predominantly on hemopoietic, bone, and epithelial cells. The P2X7R can be activated by extracellular ATP and induces the influx of calcium, releases cytokines, and participates in cell proliferation and apoptosis. CD44 is an adhesion molecule. The effects of CD44 include cell–cell and cell–matrix adhesion interactions, lymphocyte activation, and cell migration. Many studies have shown that P2X7R and CD44 play important roles in hematological malignancies, but no study exists regarding the relationship between P2X7R and CD44. In the present study, we characterized P388D1 cells for the surface expression of CD44 and analyzed ATP‐induced shedding. The data showed that P388D1 cells express CD44. Incubation of P388D1 cells with ATP induced a rapid loss of CD44 from the P388D1 cell surface. In addition, using a receptor inhibitor and P2X7R short hairpin RNA, we showed that the loss of CD44 is mediated via the P2X7R. Finally, we demonstrated that activation of P2X7R by ATP induces CD44 shedding. Copyright © 2011 John Wiley & Sons, Ltd.
Immunophenotype distinction between acute promyelocytic leukaemia and CD15− CD34− HLA‐DR− acute myeloid leukaemia with nucleophosmin mutations
Authors: Ferrari Angela , Bussaglia Elena , Úbeda Josep , Facchini Luca , Aventin Anna , Sierra Jorge , Nomdedéu Josep F.
Published: August 2011

Acute promyelocytic leukaemia (APL) is a unique clinicobiologic entity that can be successfully treated with All‐trans Retinoic Acid ATRA‐based regimens. Some cases of acute myeloid leukaemia (AML) with nucleophosmin (NPM) mutations have an immunophenotype that is similar to APL. The objective of the study is to compare antigenic expression in a group of APL patients with that in AML patients with NPM mutations and an APL‐like immunophenotype (CD15− CD34− HLA‐DR−). A consecutive series of 40 APL and 12 NPM patients with an APL‐like phenotype were included in the study. Immunophenotypic patterns were investigated by multiparametric flow cytometry. Promyelocytic leukaemia–retinoic acid receptor‐α transcript type, NPM and FLT3 mutations were investigated using conventional methods. Statistically significant differences were found between APL and NPM‐mutated AML in CD33, CD13, CD2 and CD110 reactivity. CD2 expression was absent in every patient with NPM‐mutated AML. In addition, mean fluorescence intensity and the coefficient of variation (cv) of CD33 and CD13 showed statistical differences between the two groups for CD33 (p = 0.007) and a trend to significance for CD13 (p = 0.05). Furthermore, among 45 evaluable patients, CD110 expression statistically differentiates between the two groups: [2/33 (6%) in the APL group and 8/12 (66.6%) in the NPM‐mutated AML (p = 0.014)]. However, these traits were subtle, raising the possibility of practical diagnostic challenges. In conclusion, CD110 and CD33 reactivity may be useful to distinguish APL from NPM‐mutated AML with CD15, CD34 and HLA‐DR negativity. Nevertheless, cytogenetic and molecular characterization is necessary to establish the accurate diagnosis of AML. Copyright © 2011 John Wiley & Sons, Ltd.
High prevalence and breast cancer predisposing role of the BLM c.1642 C>T (Q548X) mutation in Russia
Authors: Sokolenko Anna P. , Iyevleva Aglaya G. , Preobrazhenskaya Elena V. , Mitiushkina Nathalia V. , Abysheva Svetlana N. , Suspitsin Evgeny N. , Kuligina Ekatherina Sh. , Gorodnova Tatiana V. , Pfeifer Werner , Togo Alexandr V. , Turkevich Elena A. , Ivantsov Alexandr O. , Voskresenskiy Dmitry V. , Dolmatov Georgy D. , Bit‐Sava Elena M. , Matsko Dmitry E. , Semiglazov Vladimir F. , Fichtner Iduna , Larionov Alexey A. , Kuznetsov Sergey G. , Antoniou Antonis C. , Imyanitov Evgeny N.
Published: August 2011

The BLM gene belongs to the RecQ helicase family and has been implicated in the maintenance of genomic stability. Its homozygous germline inactivation causes Bloom syndrome, a severe genetic disorder characterized by growth retardation, impaired fertility and highly elevated cancer risk. We hypothesized that BLM is a candidate gene for breast cancer (BC) predisposition. Sequencing of its entire coding region in 95 genetically enriched Russian BC patients identified two heterozygous carriers of the c.1642 C>T (Q548X) mutation. The extended study revealed this allele in 17/1,498 (1.1%) BC cases vs. 2/1,093 (0.2%) healthy women (p = 0.004). There was a suggestion that BLM mutations were more common in patients reporting first‐degree family history of BC (6/251 (2.4%) vs. 11/1,247 (0.9%), p = 0.05), early‐onset cases (12/762 (1.6%) vs. 5/736 (0.7%), p = 0.14) and women with bilateral appearance of the disease (2/122 (1.6%) vs. 15/1376 (1.1%), p = 0.64). None of the BLM‐associated BC exhibited somatic loss of heterozygosity at the BLM gene locus. This study demonstrates that BLM Q548X allele is recurrent in Slavic subjects and may be associated with BC risk.
BARD1: An independent predictor of survival in non‐small cell lung cancer
Authors: Zhang Yong‐Qiang , Bianco Andrea , Malkinson Alvin M. , Leoni Vera Piera , Frau Gianni , De Rosa Nicolina , André Pierre‐Alain , Versace Renato , Boulvain Michel , Laurent Geoffrey J. , Atzori Luigi , Irminger‐Finger Irmgard
Published: August 2011

BRCA1 mRNA overexpression is correlated with poor survival in NSCLC. However, BRCA1 functions depend on the interaction with BARD1 for its stability, nuclear localization and ubiquitin ligase activity. Expression of alternatively spliced BARD1 isoforms that lack the BRCA1‐interaction domain was found upregulated and correlated with poor prognosis in breast and ovarian cancer. These BARD1 isoforms are essential for proliferation of cancer cells in vitro. We investigated whether BARD1 isoforms are expressed in NSCLC. While in lung tissues from healthy controls BARD1 expression was undetectable on the mRNA level and protein level, we found two novel isoforms in addition to previously identified mRNAs expressed in all NSCLC samples tested. Furthermore, the pattern of BARD1 isoform expression was similar in tumor and morphologically normal peri‐tumor tissues, and only one novel isoform π was specifically upregulated in tumors. Immunohistochemistry revealed that all 100 NSCLC cases tested expressed isoform‐specific BARD1 epitopes, while BARD1 expression was undetectable in biopsies from healthy controls. Statistical analysis showed that the expression of epitopes PVC and WFS, present on isoform π, or epitope WFS alone, expressed on isoforms π, κ and β, were significantly correlated with decreased patient survival. These findings were corroborated in a mouse model of chemically induced lung cancer. Immunostaining of mouse tumors showed that BARD1 epitopes PVC and WFS were specifically upregulated in invasive, but not in confined lung tumors. Thus, BARD1 isoforms might be involved in tumor initiation and invasive progression and might represent a novel prognostic marker for NSCLC.
Mechanisms involved in α1B‐adrenoceptor desensitization
Authors: García‐Sáinz, J. Adolfo , Romero‐Ávila María Teresa , Alcántara‐Hernández Rocío
Published: August 2011

α1B‐Adrenergic receptors mediate many of the actions of the natural catecholamines, adrenaline and noradrenaline. They belong to the seven transmembrane domains G protein‐coupled receptor superfamily and exert their actions mainly through activation of Gq proteins and phosphoinositide turnover/calcium signaling. Many hormones and neurotransmitters are capable of inducing α1B‐adrenergic receptor phosphorylation and desensitization; among them: adrenaline and noradrenaline, phorbol esters, endothelin‐I, bradykinin, lysophosphatidic acid, insulin, EGF, PDGF, IGF‐I, TGF‐β, and estrogens. Key protein kinases for these effects are G protein coupled receptor kinases and protein kinase C. The lipid/protein kinase, phosphoinositide‐3 kinase also appears to play a key role, acting upstream of protein kinase C. In addition to the agents employed for cells stimulation, we observed that paracrine/autocrine mediators also participate; these processes include EGF transactivation and sphingosine‐1‐phosphate production and action. The complex regulation of these receptors unlocks opportunities for therapeutic intervention. © 2011 IUBMB IUBMB Life, 2011
Glycan reader: Automated sugar identification and simulation preparation for carbohydrates and glycoproteins
Authors: Jo Sunhwan , Song Kevin C. , Desaire Heather , MacKerell Alexander D. , Im Wonpil
Published: August 2011

Understanding how glycosylation affects protein structure, dynamics, and function is an emerging and challenging problem in biology. As a first step toward glycan modeling in the context of structural glycobiology, we have developed Glycan Reader and integrated it into the CHARMM‐GUI, http://www.charmm‐gui.org/input/glycan. Glycan Reader greatly simplifies the reading of PDB structure files containing glycans through (i) detection of carbohydrate molecules, (ii) automatic annotation of carbohydrates based on their three‐dimensional structures, (iii) recognition of glycosidic linkages between carbohydrates as well as N‐/O‐glycosidic linkages to proteins, and (iv) generation of inputs for the biomolecular simulation program CHARMM with the proper glycosidic linkage setup. In addition, Glycan Reader is linked to other functional modules in CHARMM‐GUI, allowing users to easily generate carbohydrate or glycoprotein molecular simulation systems in solution or membrane environments and visualize the electrostatic potential on glycoprotein surfaces. These tools are useful for studying the impact of glycosylation on protein structure and dynamics. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011
Toward a new approach for determination of solute's charge distribution to analyze interatomic electrostatic interactions in quantum mechanical/molecular mechanical simulations
Authors: Yamada Kenta , Koyano Yoshiyuki , Okamoto Takuya , Asada Toshio , Koga Nobuaki , Nagaoka Masataka
Published: August 2011

We present an alternative approach to determine “density‐dependent property”‐derived charges for molecules in the condensed phase. In the case of a solution, it is essential to take into consideration the electron polarization of molecules in the active site of this system. The solute and solvent molecules in this site have to be described by a quantum mechanical technique and the others are allowed to be treated by a molecular mechanical method (QM/MM scheme). For calculations based on this scheme, using the forces and interaction energy as density‐dependent property our charges from interaction energy and forces (CHIEF) approach can provide the atom‐centered charges on the solute atoms. These charges reproduce well the electrostatic potentials around the solvent molecules and present properly the picture of the electron density of the QM subsystem in the solution system. Thus, the CHIEF charges can be considered as the atomic charges under the conditions of the QM/MM simulation, and then enable one to analyze electrostatic interactions between atoms in the QM and MM regions. This approach would give a view of the QM nuclei and electrons different from the conventional methods. © 2011 Wiley Periodicals, Inc. J Comput Chem 2011
First‐principles prediction on electronic and magnetic properties of hydrogenated AlN nanosheets
Authors: Zhang Chang‐wen , Zheng Fu‐bao
Published: August 2011

Based on first‐principles calculations, the geometric, electronic, and magnetic properties as well as the relative stability of the fully hydrogenated and semihydrogenated AlN nanosheets (NSs) have been investigated. The results show that different with the bare graphite‐like AlN NSs terminating with polar (0001) surfaces, the hydrogenated configurations preserve the initial wurtzite structure. Depending on surface hydrogenation and the thickness of AlN NSs, three magnetic configurations, that is, semiconductor, half metal, and metal states, are all observed. Analysis of formation energies indicates that, for the configuration n = 1, the hydrogen atoms adsorb on the top of Al sites is the most stable structure, while for the other configurations (n > 2), AlN‐nH structure is more favorable energetically. The results indicated that hydrogenation on different Al and N sites might be an efficient route to tune their electronic and magnetic properties to realize potential applications in the fields of electronics and spintronics. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011
Synthesis of novel 1,7‐naphthyridines by Friedländer condensation of pyridine substrates
Authors: Stockmann Vegar , Fiksdahl Anne
Published: August 2011

The general ability of appropriate pyridyl compounds (aldehyde or ketone) to undergo Friedländer condensation to give different 1,7‐naphthyridines has been demonstrated. 2,4‐Disubstituted 1,7‐naphthyridine 8 was prepared from 3‐amino‐4‐acetylpyridine (6) and ketone 4 (82%). The Friedländer self‐condensation of pyridyl substrate 6 is reported, as well. The dimer product, 2‐(3‐aminopyridin‐4‐yl)‐4‐methyl‐1,7‐naphthyridine (7), was obtained in 97% yield. 2‐Aryl‐ and 2,3‐diaryl‐1,7‐naphthyridines (16, 17, 18) were prepared from 3‐aminoisonicotinaldehyde (13) and arylketones 4, 14, and 15 (28–71%). The key substrates 6 and 13 are readily available via the improved pyridine nitration method. J. Heterocyclic Chem., (2011).
An efficient and convenient approach for the synthesis of novel 2‐hydroxy‐12‐aryl‐8,9,10,12‐tetrahydrobenzo[a]xanthene‐11‐ones using p‐toluenesulfonic acid in ethanol and ionic liquid
Authors: Khurana Jitender M. , Nand Bhaskara , Sneha
Published: August 2011

A novel series of 2‐hydroxy‐12‐aryl‐8,9,10,12‐tetrahydrobenzo[a]xanthene‐11‐ones were synthesized by the one‐pot multicomponent condensation of 2,7‐dihydroxynaphthalene, aromatic aldehydes, and cyclic 1,3‐dicarbonyl compounds in the presence of a catalytic amount of p‐toluenesulfonic acid in ethanol and in ionic liquid butyl methyl imidazolium tetrafluroborate ([bmim]BF4). The newly developed protocol is operationally convenient, widely applicable, and gives excellent yields of the diversely substituted title compounds in high purity by easy workup. J. Heterocyclic Chem., (2011).
Noncovalent complexation of glucosylthioureidocalix[4]arenes with carboxylates and their gas‐phase characteristics: an ESI‐FTICR mass spectrometric study
Authors: Torvinen Mika , Kalenius Elina , Sansone Francesco , Casnati Alessandro , Jänis Janne
Published: August 2011

The noncovalent complexation of three glucosylcalix[4]arenes (1–3) towards 23 mono‐ and dicarboxylic acid anions were studied by ESI‐FTICR mass spectrometry. Competitive complexation, collision‐induced dissociation and gas‐phase H/D‐exchange experiments were performed to obtain information on selectivity of calixarenes towards carboxylates and characteristics of their complexes. The flexibility and number of glucose units of the host and the spatial disposition of the hydrogen bonding groups on the carboxylate guests were found to affect the selectivity of complexation strongly. The glucosylcalixarenes exhibited particular selectivity for dicarboxylic acid anions incorporating π‐systems, and clear isomeric selectivity was observed for isophthalic among phthalic acid anions and for fumaric acid over maleic acid anion. Copyright © 2011 John Wiley & Sons, Ltd.
Disulfide bond cleavage in TEMPO‐free radical initiated peptide sequencing mass spectrometry
Authors: Lee Minhee , Lee Younjin , Kang Minhyuk , Park Hyeyeon , Seong Yeonmi , June Sung Bong , Moon Bongjin , Bin Oh Han
Published: August 2011

The gas‐phase free radical initiated peptide sequencing (FRIPS) fragmentation behavior of o‐TEMPO‐Bz‐conjugated peptides with an intra‐ and intermolecular disulfide bond was investigated using MSn tandem mass spectrometry experiments. Investigated peptides included four peptides with an intramolecular cyclic disulfide bond, Bactenecin (RLCRIVVIRVCR), TGF‐α (CHSGYVGVRC), MCH (DFDMLRCMLGRVFRPCWQY) and Adrenomedullin (16–31) (CRFGTCTVQKLAHQIY), and two peptides with an intermolecular disulfide bond. Collisional activation of the benzyl radical conjugated peptide cation, which was generated through the release of a TEMPO radical from o‐TEMPO‐Bz‐conjugated peptides upon initial collisional activation, produced a large number of peptide backbone fragments in which the SS or CS bond was readily cleaved. The observed peptide backbone fragments included a‐, c‐, x‐ or z‐types, which indicates that the radical‐driven peptide fragmentation mechanism plays an important role in TEMPO‐FRIPS mass spectrometry. FRIPS application of the linearly linked disulfide peptides further showed that the SS or CS bond was selectively and preferentially cleaved, followed by peptide backbone dissociations. In the FRIPS mass spectra, the loss of •SH or •SSH was also abundantly found. On the basis of these findings, FRIPS fragmentation pathways for peptides with a disulfide bond are proposed. For the cleavage of the SS bond, the abstraction of a hydrogen atom at Cβ by the benzyl radical is proposed to be the initial radical abstraction/transfer reaction. On the other hand, H‐abstraction at Cα is suggested to lead to CS bond cleavage, which yields [ion ± S] fragments or the loss of •SH or •SSH. Copyright © 2011 John Wiley & Sons, Ltd.
New cloud and microphysics parameterisation for use in high‐resolution dynamical downscaling: application for summer extreme temperature over Belgium
Authors: Hamdi R. , Van de Vyver H. , Termonia P.
Published: August 2011

We explore the use of high‐resolution dynamical downscaling as a means to simulate extreme values of summer maximum surface air temperature over Belgium (TMAX). We use the limited area version of the ARPEGE‐IFS model, ALADIN. Our approach involves a sequence of daily integrations driven by perfect boundary conditions at the lateral boundaries provided by the ERA40 reanalysis. In this study, three different recent past (1961–1990) simulations are evaluated against different station datasets: (1) 40 km spatial resolution (ALD40), (2) 10 km spatial resolution (ALD10), and (3) 4 km spatial resolution (ALR04) using a new parameterisation of deep convection, and microphysics allowing the use of ALADIN at resolutions ranging from a few tens of kilometers down to less than 4 km. The validation of ALD40 reveals a positive summer bias (2.2 °C), even though the considerable spatial resolution enhancement by a factor of 4, ALD10 reduces slightly the warm biases (1.7 °C). This warm bias on TMAX is strongly correlated with cloud cover representation. Result shows an overestimate of clear‐sky occurrences by ALD10 and a developing solar radiation overestimate through the diurnal cycle, with 116 W m−2 maximum overestimate at noon. ALR04 reduces considerably the warm biases (−0.2 °C) which suggests of its ability to simulate weakly forced convective cloud in the summer over Belgium. In addition, the Generalized Pareto Distribution (GPD) of the extreme high temperatures produced by the different simulations has been compared to observations of the same period. ALD40 and ALD10 gave a GPD distribution that did not replicate the observed distribution well and, thus, overestimated the extremes. This study shows that the consistent treatment of deep convection and cloud–radiation interaction when increasing the horizontal resolution is very important when studying extremely high temperatures events. Copyright © 2011 Royal Meteorological Society
Semi‐supervised multivariate regression trees: putting the ‘circulation’ back into a ‘circulation‐to‐environment’ synoptic classifier
Authors: Cannon Alex J.
Published: August 2011

Multivariate regression trees (MRTs) have been used in synoptic climatology to construct “circulation‐to‐environment” synoptic classifications. Because the goal of an MRT is to maximize discrimination of the environmental predictand variables, performance in terms of the synoptic‐scale circulation predictors is typically sacrificed. This paper introduces a semi‐supervised approach in which a weighted combination of synoptic‐scale predictors and environmental variables serve as predictands in a MRT. Results for southern British Columbia, Canada, indicate that (1) a semi‐supervised MRT can outperform a fully supervised MRT in terms of discrimination of the surface environment; (2) weighting allows the synoptic classifier to behave as a fully unsupervised model, a fully supervised model, or intermediate between the two ends of the spectrum; and (3) the optimum trade‐off between circulation and environment must be chosen by the user depending on specific needs. © 2011 Crown in the right of Canada. Published by John Wiley & Sons Ltd.
Hyperbaric oxygen therapy in a mouse model of implant‐associated osteomyelitis
Authors: Shandley Sabrina , Matthews Krista Prato , Cox Jennifer , Romano Desiree , Abplanalp Allison , Kalns John
Published: August 2011

Implant associated osteomyelitis (OM) is difficult to treat with antibiotics, and outcomes remain poor. Some reports suggest that hyperbaric oxygen treatment is a safe and effective means of treating OM. We tested this hypothesis in a murine model. Clinical isolates of methicillin‐resistant Staphylococcus aureus (MRSA), Pseudomonas aeruginosa, and Klebsiella pneumoniae were used. The mice were infected with each of the three pathogens, treated with 100% oxygen at high pressure, hyperbaric oxygen (HBO), and monitored for the ability of HBO to prevent and/or clear the OM infection. Assessments included bacterial burden of the tibias and lesion scores, as well as receptor activator of NF‐κB ligand (RANKL) and myeloperoxidase (MPO) concentrations. HBO resulted in more severe lesion scores and higher RANKL and MPO concentrations for MRSA. A significant positive correlation was found between RANKL concentration and lesion score. No significant difference was found with HBO in P. aeruginosa infections and K. pneumoniae seems to either not infect bone well or get cleared before establishing an infection. The model is useful for studying OM infections caused by MRSA and P. aeruginosa, but HBO does not appear to be an efficacious treatment of an implant‐associated OM infection. © 2011 Orthopaedic Research Society Published by Wiley Periodicals, Inc. J Orthop Res 30:203–208, 2012
Pedogenic carbonate recrystallization assessed by isotopic labeling: a comparison of 13C and 14C tracers
Authors: Gocke Martina , Pustovoytov Konstantin , Kuzyakov Yakov
Published: August 2011

The C isotopic composition (δ13C) of pedogenic carbonates reflects the photosynthetic pathway of the predominant local vegetation because pedogenic (secondary) CaCO3 is formed in isotopic equilibrium with soil CO2 released by root and rhizomicrobial respiration. Numerous studies show the importance of pedogenic carbonates as a tool for reconstructing paleoecological conditions in arid and semiarid regions. The methodological resolution of these studies strongly depends on the time scale of pedogenic carbonate formation, which remains unknown. The initial formation rate can be assessed by 14C labeling of plants grown on loess and subsequent incorporation of 14C from rhizosphere CO2 into newly formed carbonate by recrystallization of loess CaCO3. We tested the feasibility of 14C and 13C tracers for estimating CaCO3 recrystallization rates by simultaneous 14C and 13C labeling and comparison with literature data. 14C labeling was more efficient and precise in assessing recrystallization rates than 13C labeling. This is connected with higher sensitivity of 14C liquid scintillation counting when compared with δ13C measurement by IRMS. Further, assessment of very low amounts of incorporated tracer is more precise with low background signal (natural abundance), which is true for 14C, but is rather high for 13C. Together, we obtained better reproducibility, higher methodological precision, and better plausibility of recrystallization rates calculated based on 14C labeling. Periods for complete CaCO3 recrystallization, extrapolated from rates based on 14C labeling, ranged from 130 (125–140) to 240 (225–255) y, while it was ≈ 600 (365–1600) y based on the 13C approach. In terms of magnitude, data from late‐Holocene soil profiles of known age provide better fit with modeled recrystallization periods based on the 14C approach.
Response of five citrus rootstocks to iron deficiency
Authors: Pestana Maribela , Correia Pedro José , David Manuela , Abadía Anunciación , Abadía Javier , de Varennes Amarilis
Published: August 2011

Citrus established in calcareous soils can be affected by iron (Fe)‐deficiency chlorosis which limits yield and the farmers' income. The degree of deficiency depends on the rootstock, but the resistance to Fe chlorosis still requires further investigation. To study physiological parameters of citrus rootstocks that could be used to evaluate resistance to Fe deficiency, plants of Troyer citrange (Citrus sinensis L. Osb. × Poncitrus trifoliata L. Raf.), Carrizo citrange, Volkamer lemon (Citrus volkameriana Ten. & Pasq.), alemow (Citrus macrophylla Wester), and sour orange (Citrus aurantium L.) were grown in nutrient solutions with 0, 5, 10, 15, or 20 μM Fe. For each rootstock, plant height, root and shoot dry weights, and concentration of Fe in the shoots and roots were measured at the end of the experiment. Chlorophyll (CHL) concentration was estimated throughout the experimental period using a portable CHL meter (SPAD‐502) calibrated for each rootstock. At the end of the experiment, CHL fluorescence parameters were measured in each rootstock with a portable fluorimeter. Maximal and variable fluorescence values indicated that the photochemistry of Troyer was more affected by a low concentration of Fe in the nutrient solution than that of other rootstocks. To compare rootstocks, the absolute CHL concentration was converted into relative yield by employing a scaling divisor based on the maximum value of total CHL in plants without Fe‐deficiency symptoms. Exponential models were developed to determine the minimum Fe concentration in nutrient solution required to maintain leaf CHL at 50% of the maximum CHL concentration (IC50). Models were also developed to assess the period of time the rootstocks were able to grow under Fe‐stress conditions before they reached IC50. Volkamer lemon and sour orange needed the lowest Fe concentration (between 4 and 5 μM Fe) to maintain IC50, and Troyer citrange had the highest Fe requirement (14 μM Fe). Citrus macrophylla and Carrizo citrange required 7 and 9 μM of Fe, respectively. Similarly, Volkamer lemon and sour orange rootstocks withstood more days under total Fe depletion or with a low concentration of Fe (5 μM Fe in nutrient solution) until they reached IC50, compared to the other rootstocks. The approach used led to a classification of the rootstocks into three categories, regarding their internal tolerance to Fe chlorosis: resistance (sour orange and Volkamer lemon), intermediate resistance (C. macrophylla and Carrizo citrange), and reduced resistance (Troyer citrange).
Effects of beech and ash on small‐scale variation of soil acidity and nutrient stocks in a mixed deciduous forest
Authors: Holzwarth Frédéric M. , Daenner Max , Flessa Heiner
Published: August 2011

Trees interact in a complex manner with soils: they recycle and redistribute nutrients via many ecological pathways. Nutrient distribution via leaf litter is assumed to be of major importance. Beech is commonly known to have lower nutrient concentrations in its litter than other hardwood tree species occurring in Central Europe. We examined the influences of distribution of beech (Fagus sylvatica L.), ash (Fraxinus excelsior L.), lime (Tilia cordata Mill. and T. platyphyllos Scop.), maple (Acer spp. L.), and clay content on small‐scale variability of pH and exchangeable Ca and Mg stocks in the mineral soil and of organic‐C stocks in the forest floor in a near‐natural, mature mixed deciduous forest in Central Germany. The soil is a Luvisol developed in loess over limestone. We found a positive effect of the proportion of beech on the organic‐C stocks in the forest floor and a negative effect on soil pH and exchangeable Ca and Mg in the upper mineral soil (0 to 10 cm). The proportion of ash had a similar effect in the opposite direction, the other species did not show any such effect. The ecological impact of beech and ash on soil properties at a sample point was explained best by their respective proportion within a radius of 9 to 11 m. The proportion of the species based on tree volume within this radius was the best proxy to explain species effects. The clay content had a significant positive influence on soil pH and exchangeable Ca and Mg with similar effect sizes. Our results indicate that beech, in comparison to other co‐occurring deciduous tree species, mainly ash, increased acidification at our site. This effect occurred on a small spatial scale and was probably driven by species‐related differences in nutrient cycling via leaf litter. The distribution of beech and ash resulted not only in aboveground diversity of stand structures but also induced a distinct belowground diversity of the soil habitat.
Underweight patients show an increased rate of postoperative death after surgery for hepatocellular carcinoma
Authors: Ishizuka Mitsuru , Kubota Keiichi , Kita Junji , Shimoda Mitsugi , Kato Masato , Sawada Tokihiko
Published: August 2011

Objective

To evaluate the influence of body mass index (BMI) on postoperative death in patients undergoing surgery for HCC.

Methods

Three hundred forty‐two patients were enrolled, and divided into three groups: Group A, BMI <22.5; Group B, BMI ≥22.5 to <25; Group C, BMI ≥25. Univariate and multivariate analyses of postoperative death were performed to compare BMI with clinical factors. Kaplan–Meier analysis and log rank test were used to compare such outcome in Groups A, B, and C.

Results

Kaplan–Meier analysis and log rank test revealed that Group A had a higher rate of postoperative death than Group B or C (P = 0.010). Univariate and multivariate analyses selected being underweight (Group B, C/Group A) (odds ratio, 1.829; 95% C.I., 1.091–3.068; P = 0.022) as one of the factors predictive of postoperative death, together with aspartate aminotransferase level (P = 0.042) and HCC growth pattern (P = 0.032).

Conclusions

BMI is a simple but important predictor of postoperative death in patients undergoing surgery for HCC, and is able to classify such patients into three independent groups. J. Surg. Oncol. 2011; 104:809–813. © 2011 Wiley Periodicals, Inc.
The toxicity and long‐term efficacy of nedaplatin and paclitaxel treatment as neoadjuvant chemotherapy for locally advanced cervical cancer
Authors: Yin Mingzhu , Zhang Haiyu , Li Huiyan , Li Xia , Liu Yunduo , Chen Xiuwei , Lou Ge , Li Kang
Published: August 2011

Background

The use of neoadjuvant chemotherapy (NACT) for the treatment of locally advanced cervical cancer (LACC) remains controversial. In current clinical practice, platinum‐based chemotherapy is the major option for patients with LACC. However, serious adverse events have been reported after platinum‐based chemotherapy treatment for LACC patients. In this study, the authors evaluated whether nedaplatin and paclitaxel (NP), as a new NACT regimen, offers less toxicity and better long‐term efficacy for LACC (stages IB2‐IIB) treatment. Comparisons between NP and paclitaxel and cisplatin (PC) in terms of toxicity and long‐term efficacy are also presented.

Methods

The authors retrospectively reviewed 252 consecutive patients with LACC, of whom 104 received NP; the others received PC. Toxicity was assessed according to the International WHO (1979) criteria for chemotherapy side effects, and the chi‐squared test was used to identify whether there was a statistically significant difference in toxicity between the NP regimen and the PC regimen. A univariate and a Cox regression model were used to assess whether the patients who were administered NP were statistically significantly different from those who were administered PC with respect to the disease‐free survival rate (DFS) and the overall survival rate (OS).

Results

The overall response rate for NP and PC were 80.77% and 68.24%, respectively (P = 0.0267). The incidences of toxic reactions for NP and PC were 32.69% and 85.14%, respectively (P < 0.0001). The DFS for patients who were given the NP and the PC regimens were 81.41% and 67.28%, respectively (P = 0.014). The OS was 81.54% for patients who received the PC program and 93.89% for those who received the NP program (P = 0.0084). The NP program participants experienced a significant increase in the survival rate when compared to the group that received the PC program (DFS hazard ratio = 0.539, P = 0.0144 and OS hazard ratio = 0.354, P = 0.0077).

Conclusions

NP NACT followed by radical hysterectomy offers a higher response rate, lower incidence of toxic reactions and better long‐term DFS and OS for patients with LACC compared with the chemotherapy regimen of PC followed by radical hysterectomy. J. Surg. Oncol. 2012; 105:206–211. © 2011 Wiley Periodicals, Inc.
Overall survival peri‐hilar cholangiocarcinoma: R1 resection with curative intent compared to primary endoscopic therapy
Authors: Schiffman Suzanne C. , Reuter Nathaniel P. , McMasters Kelly M. , Scoggins Charles R. , Martin Robert C.G.
Published: August 2011

Background and Objectives

Patients with peri‐hilar cholangiocarcinoma who undergo R1 resection with curative intent will have an improved survival compared to patients who were not resected.

Methods

Review of a prospective hepatobiliary database identified 130 patients. Survival was compared using the log‐rank test.

Results

Seventy‐nine patients (61%) were resected while 51 (49%) patients were not. Forty‐two patients (54%) had an R0 resection. There was no difference in mean age (69 vs. 67; P = 0.8), BMI (27.8 vs. 27.9; P = 1.0), gender (73% vs. 43% male; P = 0.1), presence of jaundice (77% vs. 64%; P = 0.5), vascular involvement on pre operative imaging (77% vs. 64%; P = 0.5), stent (73.1% vs. 64.3%; P = 0.72), and lobar atrophy (27% vs. 7%, P = 0.2) in the resected versus non‐resected patients. All patients underwent chemotherapy and/or radiation therapy. After a median follow up of 35.6 months the median OSl for all peri‐hilar patients was 16.2 months (95% CI = 11.2–23.4). The median OS for resected patients was 18.9 months (95% CI = 12.5–24.7) versus 5.0 months (95% CI = 0–6.9) for patients not resected (P < 0.001). The only pre‐operative predictor of OS was resection (P = 0.041). Vascular invasion, lobar atrophy, and stent placement were not statistically significant predictors.

Conclusion

Overall survival is improved in patients undergoing R1 resection and multi‐modality therapy compared to patients not resected. J. Surg. Oncol. 2012; 105:91–96. © 2011 Wiley Periodicals, Inc.
Expressive levels of MUC1 and MUC5AC and their clinicopathologic significances in the benign and malignant lesions of gallbladder
Authors: Xiong Li , Yang Zhulin , Yang Leping , Liu Jieqiong , Miao Xiongying
Published: August 2011

Objective

This article is intended to make a study on the expressive levels of mucin core proteins (MUC1 and MUC5AC) and detect their clinicopathologic significances in the benign and malignant lesions of gallbladder.

Methods

EnVision immunohistochemical method for determining the expressions of MUC1 and MUC5AC was used in routinely paraffin‐embedded sections of surgically resected specimens from gallbladder adenocarcinoma (n = 108), peritumoral tissues (n = 46), adenoma (n = 15), and chronic cholecystitis (n = 35).

Results

The positive rate of MUC1 expression was significantly higher in gallbladder adenocarcinoma than that in peritumoral tissues (χ2 = 16.49, P < 0.01), adenoma (χ2 = 7.40, P < 0.01), and chronic cholecystitis (χ2 = 28.57, P < 0.01), while the positive rate of MUC5AC expression was significantly lower in gallbladder adenocarcinoma than that in peritumoral tissues (χ2 = 12.83, P < 0.01), adenoma (χ2 = 4.22, P < 0.05), and chronic cholecystitis (χ2 = 20.25, P < 0.01). The positive cases of MUC1 and the negative ones of MUC5AC in the benign lesions showed moderate‐ or severe‐dysplasia of gallbladder epithelium. The positive rates of MUC1 were significantly lower in gallbladder adenocarcinomas with maximal diameter of mass <2 cm, no metastasis of lymph node, and no invasiveness of regional tissues (P < 0.05 or P < 0.01) than those in gallbladder adenocarcinomas with maximal diameter of mass >2 cm, metastasis of lymph node, and invasiveness of regional tissues (P < 0.05 or P < 0.01). However, the positive rates of MUC5AC were significantly higher in the highly differentiated adenocarcinoma with maximal diameter of mass <2 cm than those in the low‐differentiated adenocarcinoma with maximal diameter of mass ≥2 cm. Univariate Kaplan–Meier analysis showed that increased expression of MUC1 (P = 0.064) or decreased expression of MUC5AC (P = 0.017) was associated with decreased overall survival. Multivariate Cox regression analysis showed that decreased expression of MUC5AC (P = 0.008) was an independent prognostic predictor to gallbladder adenocarcinoma.

Conclusions

The expression of MUC1 and MUC5AC might be closely related to the carcinogenesis, clinical biological behaviors, and prognosis of gallbladder adenocarcinoma. J. Surg. Oncol. 2012; 105:97–103. © 2011 Wiley Periodicals, Inc.
Survival analysis of patients with femoral metastases
Authors: Mavrogenis Andreas F. , Pala Elisa , Romagnoli Carlo , Romantini Matteo , Calabro Teresa , Ruggieri Pietro
Published: August 2011

Background

Previous studies reported on surgical indications for patients with femoral metastases. However, few studies analyzed the spectrum of femoral metastatic presentation. We performed this study to evaluate the survival of patients with femoral metastases, and clarify the treatment of femoral impending and actual pathological fractures.

Materials and Methods

We retrospectively studied 110 patients with femoral metastases from various cancers treated with nailing or resection and megaprosthetic reconstruction from 1995 to 2010. The mean follow‐up was 18 months. Survival was analyzed with respect to different metastatic presentations regarding gender, type of cancer, number, and location of femoral metastases, type of surgery, and pathological fracture.

Results

Univariate predictors of survival were the pathological fracture and type of surgery; multivariate predictor was only the pathological fracture. Survival was significantly higher in patients with resection compared to nailing, impending compared to actual fracture, solitary metastasis and impending fracture, actual fracture treated with resection, proximal femoral actual fracture and distal femoral impending fracture treated with resection.

Conclusions

Patients with femoral metastases have better survival when present with impending compared to actual pathological fracture. Although with a higher rate of complications, patients with pathological fractures of the proximal and distal femur may benefit from resection. J. Surg. Oncol. 2012; 105:135–141. © 2011 Wiley Periodicals, Inc.
MYCORRHIZAL FUNGI PROTECT THE SOIL FROM WIND EROSION: A WIND TUNNEL STUDY
Authors: Burri K. , Gromke C. , Graf F.
Published: August 2011

Mycorrhizal fungi form symbiotic associations with the roots of most vascular plant species and can improve both plant growth and soil structure. Therefore, they are expected to play an important role in reducing soil erosion by wind. However, direct evidence for this is lacking, because it is hardly possible to separate the mycorrhizal effect from all other factors that influence wind erosion in natural environments. Here, we present laboratory wind tunnel experiments, which indicate that mycorrhizal fungi have the potential to substantially increase the protective effect of newly seeded plants against wind erosion. For root balls of two plant species (Lolium perenne and Anthyllis vulneraria ssp. alpestris), we found that the wind‐induced soil loss decreased significantly with increasing percentage of root colonisation by mycorrhizal fungi. The mean soil loss of non‐mycorrhizal control samples was more than twice as high as the one of mycorrhizal samples for A. vulneraria, whereas no significant difference was observed for L. perenne. These results are all the more remarkable because there was no mycorrhiza‐induced plant growth enhancement. On the contrary, mycorrhizal plants had significantly smaller root systems than non‐mycorrhizal plants in both species. Above‐ground biomass was significantly smaller in mycorrhizal plants than in non‐mycorrhizal plants for L. perenne but only slightly smaller for A. vulneraria. This study demonstrates that mycorrhizal fungi are able to help newly seeded plants to decrease the wind erodibility of soil, even in cases when they do not increase plant growth. Copyright © 2011 John Wiley & Sons, Ltd.
Does attractiveness sell? Women's attitude toward a product as a function of model attractiveness, gender priming, and social comparison orientation
Authors: Buunk Abraham P. , Dijkstra Pieternel
Published: August 2011

In the present experiment, 85 female undergraduate students were presented with an advertisement for chewing gum, featuring an attractive or a moderately attractive same‐sex model. Participants were either primed on their gender or not. Results showed that gender‐primed women were willing to pay more for the product when it was promoted by an attractive model, and, with increasing levels of social comparison orientation, women showed a more positive attitude toward the product when it was promoted by an attractive as opposed to a moderately attractive model. In contrast, when they were primed on being a female, women were willing to pay less when the product was promoted by an attractive model, and, with increasing levels of social comparison orientation, they had a less positive attitude when the product was promoted by an attractive as opposed to a moderately attractive model. Implications for advertising are discussed. © 2011 Wiley Periodicals, Inc.
Target‐Driven Subspace Mapping Methods and Their Applicability Domain Estimation
Authors: Soto Axel J. , Vazquez Gustavo E. , Strickert Marc , Ponzoni Ignacio
Published: August 2011

This work describes a methodology for assisting virtual screening of drugs during the early stages of the drug development process. This methodology is proposed to improve the reliability of in silico property prediction and it is structured in two steps. Firstly, a transformation is sought for mapping a high‐dimensional space defined by potentially redundant or irrelevant molecular descriptors into a low‐dimensional application‐related space. For this task we evaluate three different target‐driven subspace mapping methods, out of which we highlight the recent Correlative Matrix Mapping (CMM) as the most stable. Secondly, we apply an applicability domain model on the low‐dimensional space for assessing confidentiality of compound classification. By a probabilistic framework the applicability domain approach identifies poorly represented compounds in the training set (extrapolation problems) and regions in the space where the uncertainty about the correct class is higher than normal (interpolation problems). This two‐step approach represents an important contribution to the development of confident prediction tools in the chemoinformatics area, where the field is in need of both interpretable models and methods that estimate the confidence of predictions.