bluuebunny/crossref_metadata_2025_split huggingface dataset:
Immunogenic cell death of human ovarian cancer cells induced by cytosolic poly(I:C) leads to myeloid cell maturation and activates NK cells
Authors: Kübler Kirsten , tho Pesch Carola , Gehrke Nadine , Riemann Soheila , Daßler Juliane , Coch Christoph , Landsberg Jennifer , Wimmenauer Vera , Pölcher Martin , Rudlowski Christian , Tüting Thomas , Kuhn Walther , Hartmann Gunther , Barchet Winfried 
Published: July 2011

AbstractOwing to high rates of tumor relapse, ovarian cancer remains a fatal disease for which new therapeutic approaches are urgently needed. Accumulating evidence indicates that immune stimulation may delay or even prevent disease recurrence in ovarian cancer. In order to elicit proinflammatory signals that induce or amplify antitumor immune reactivity, we mimicked viral infection in ascites‐derived ovarian cancer cells. By transfection or electroporation we targeted the synthetic double‐stranded RNA poly(I:C) intracellularly in order to activate melanoma differentiation‐associated gene‐5 (MDA‐5), a sensor of viral RNA in the cytosol of somatic cells. Cancer cells reacted with enhanced expression of HLA‐class I, release of CXCL10, IL‐6, and type I IFN as well as tumor cell apoptosis. Monocytes and monocyte‐derived DCs (MoDCs) engulfed MDA‐5‐activated cancer cells, and subsequently upregulated HLA‐class I/II and costimulatory molecules, and secreted CXCL10 and IFN‐α. Further, this proinflammatory milieu promoted cytolytic activity and IFN‐γ secretion of NK cells. Thus, our data suggest that the engagement of MDA‐5 in a whole tumor cell vaccine is a promising approach for the immunotherapy of ovarian cancer.
CLEC‐2 signaling via Syk in myeloid cells can regulate inflammatory responses
Authors: Mourão‐Sá Diego , Robinson Matthew J. , Zelenay Santiago , Sancho David , Chakravarty Probir , Larsen Rasmus , Plantinga Maud , Van Rooijen Nico , Soares Miguel P. , Lambrecht Bart , Reis e Sousa Caetano 
Published: July 2011

AbstractMyeloid cells express a plethora of C‐type lectin receptors (CLRs) that can regulate immune responses. CLEC‐2 belongs to the Dectin‐1 sub‐family of CLRs that possess an extracellular C‐type lectin‐like domain and a single intracellular hemITAM motif. CLEC‐2 is highly expressed on mouse and human platelets where it signals via Syk to promote aggregation. We generated a monoclonal antibody (mAb) against mouse CLEC‐2 and found that CLEC‐2 is additionally widely expressed on leukocytes and that its expression is upregulated during inflammation. MAb‐mediated crosslinking of CLEC‐2 leads to hemITAM‐dependent signaling via Syk, Ca2+ and NFAT and, in myeloid cells, modulates the effect of toll‐like receptor (TLR) agonists to selectively potentiate production of IL‐10. A macrophage/dendritic cell‐dependent increase in IL‐10 is also observed in mice given anti‐CLEC‐2 mAb together with LPS. Collectively, these data indicate that CLEC‐2 is expressed in myeloid cells and acts as a Syk‐coupled CLR able to modulate TLR signaling and inflammatory responses.
29Si NMR Shielding Calculations Employing Density Functional Theory, Focussing on Hypervalent Silicon Compounds
Authors: Du Van An , Stipicic Gregor N. , Schubert Ulrich 
Published: July 2011

Abstract29Si NMR chemical shifts of 41 silicon‐containing compounds (14 tetra‐, 10 penta‐ and 17 hexacoordinate compounds) were calculated by employing DFT using the gauge including atomic orbital (GIAO) formalism and compared to experimental values. The hybrid B3LYP functional, the generalized gradient approximation functional (GGA) BPW91 and the meta‐GGA functional HCTH407 were used in conjunction with the 6‐31G(d,p) and 6‐311+G(2d) basis sets and a locally dense basis set [6‐311G+(2d) on Si and 6‐31G(d,p) on all other atoms]. The HCTH407/6‐311+G(2d) level of theory consistently performed best with a mean average error (MAE) of 5.9 ppm between calculated and experimental chemical shifts over the entire test set (4.4, 5.7 and 7.9 ppm for tetra‐, penta‐ and hexacoordinate compounds, respectively). The choice of a suitable basis set had a much larger influence on the accuracy of the results than the choice of functional. Additional calculations for some outliers with the 6‐311++G(2df,2pd) basis set yielded only small improvements, whereas the economically attractive, locally dense basis set (LDBS) yielded an MAE of 6.5 ppm with the HCTH407 functional over the entire test set after correction of systematic errors. For a subset of compounds, GIAO‐HF and MP2 ab initio calculations were performed yielding more accurate results than the DFT calculations (MAEs for HF, MP2 and HCTH407 were 3.9, 4.6 and 5.6 ppm, respectively) but required roughly two orders of magnitude more CPU time.
Functionalized Fulgides and Fluorophore‐Photoswitch Conjugates
Authors: Strübe Frank , Rath Susann , Mattay Jochen 
Published: June 2011

AbstractVarious fulgides based on benzofuryl and indolyl core units with versatile functionalities were synthesized. Substitution at the phenylic site shows only small effects on the photochromic properties compared to the parent compounds 30 and 31. Fulgide–dye conjugates were prepared based on anthryl and coumaryl moieties. Fluorophores were introduced to the fulgide via substitution reaction or copper‐catalyzed azide‐alkyne cycloaddition (CuAAC). The synthesized conjugates show weak fluorescence and quenching properties in solution.
Synthetic Studies on Dragmacidin D: Synthesis and Assembly of Three Fragments Towards an Advanced Intermediate
Authors: Oikawa Masato , Ikoma Minoru , Sasaki Makoto 
Published: June 2011

AbstractWe report herein the approach to the key advanced intermediate in the synthesis of the bioactive marine natural product dragmacidin D. By employing a modular synthesis strategy of three fragments (5, 7, and 8), the advanced intermediate 3 has been successfully synthesized in 2.5 % yield over 15 steps by starting from nitrotoluene 20. The synthesis also involves sequential cross‐coupling reactions, namely Sonogashira and Suzuki–Miyaura reactions, so that various analogues can be efficiently synthesized, which will allow the study of structure–activity relationships of dragmacidin D.
Discrimination and subjective well‐being: The moderating roles of identification with the heritage group and the host majority group
Authors: Schaafsma Juliette 
Published: June 2011

AbstractThis study examined the roles that identification with the heritage group and identification with the majority group play in the relationship between discrimination (subtle or blatant) and subjective well‐being among ethnic minority group members. Participants were 320 ethnic Turks and Moroccans in the Netherlands who completed a questionnaire that measured their well‐being, their perceptions of subtle and blatant discrimination, and their heritage group and majority group identification. The analyses found that relationships between discrimination and well‐being varied as a joint function of the source and strength of people's ethnic identification. Individuals who identified more strongly with their heritage group were more likely to report discrimination than low identifiers but were less likely to be negatively affected by it. For those who identified strongly with their heritage group, experiences with subtle and blatant discrimination and well‐being were unrelated, whereas for those who identified weakly with their heritage group, discrimination and well‐being were negatively related. In contrast, individuals who identified more strongly with the majority group were less likely to report discrimination than low identifiers but were more likely to be negatively affected by it. For those who identified strongly with the majority group, discrimination and well‐being were negatively related, whereas for those who identified weakly with the majority group, discrimination and well‐being were unrelated. These results suggest that although identifying strongly with the heritage group may buffer ethnic minorities from the negative effects of discrimination, identifying strongly with the majority group may exacerbate these effects. Copyright © 2011 John Wiley & Sons, Ltd.
Lactic acid production with Lactobacillus casei ssp. rhamnosus NBIMCC 1013: Modeling and optimization of the nutrient medium
Authors: Kostov George , Angelov Mihail , Denkova Zapryana , Dobrev Iliyan , Goranov Bogdan 
Published: June 2011

AbstractThe medium needed to perform a fermentation process with viable cells of Lactobacillus casei ssp. rhamnosus NBIMCC 1013 for the production of lactic acid was modeled and optimized. On the basis of single‐factor experiments and statistical analysis, the significant factors affecting the fermentation process, i.e. the concentration of carbon source, concentrations of both yeast and meat extracts, and the range of variability of these components were determined. Modeling and optimization of the medium contents were performed using central composite design. The composition of the medium used for the production of lactic acid (g/L) was as follows: glucose 69.8, meat extract 17.07, yeast extract 10.9, CH3COONa 10, K2HPO4 0.25, KH2PO4 0.25, MgSO4·7H2O 0.05, and FeSO4 0.05. The maximum specific growth rate of the lactic acid bacteria (μ=0.51 h−1) and other kinetic parameters were determined during cultivation in a laboratory bioreactor using the logistic equation and the Luedeking–Piret model. The obtained medium allows the production of lactic acid under optimum conditions, at high specific sugar assimilation rates and high lactic acid accumulation rates. The positive results of the paper are the new nutrient medium for lactic acid production and the process kinetic model, enabling scaling up and switching to a continuous process.
Engineering characteristics of a single‐use stirred bioreactor at bench‐scale: The Mobius CellReady 3L bioreactor as a case study
Authors: Kaiser Stephan C. , Eibl Regine , Eibl Dieter 
Published: June 2011

AbstractStirred single‐use bioreactors can be used as substitutes for their conventional counterparts made of glass or stainless steel in the development and production of biopharmaceuticals wherever possible. Various studies have confirmed their comparability in cell growth as well as in product quantity and quality. However, information about their engineering characteristics is still rare. This study focuses on the stirred Mobius® CellReady 3L bioreactor. The main engineering parameters for typical operation conditions used in animal cell cultivations are presented for the first time. Numerical simulations with a commercial CFD package (Fluent 6.3) were accomplished to obtain data on the single‐ and multi‐phase fluid flow, power input, mixing time and oxygen mass transfer. The results, which were compared with data from experiments and from the literature, reveal the suitability of the Mobius® CellReady 3L bioreactor for cell expansion and protein production with animal cell cultures. Furthermore, the data enable comparisons with other single‐use and reusable cell culture bioreactors at bench‐scale.
In vitro evaluation of the genotoxic and cytotoxic effects of artesunate, an antimalarial drug, in human lymphocytes
Authors: Mota Tatiane C. , Cardoso Plínio C. S. , Gomes Lorena M. , Vieira Priscilla C. M. , Corrêa Regianne M. S. , Santana Priscila Di Paula B. , Miranda Moysés S. , Burbano Rommel M. R. , Bahia Marcelo O. 
Published: July 2011

AbstractArtesunate is one of the main antimalarial drugs used in several countries. It is a semisynthetic compound derived from artemisinin, a substance extracted from the Chinese plant, Artemisia annua L. Despite the widespread use of artesunate as an antimalarial drug, there is a lack of data regarding its genotoxic effects in human lymphocytes. Therefore, in this study, we used the comet assay and micronucleus test to evaluate the possible genotoxic effects of artesunate in cultured human lymphocytes. In addition, cell death by necrosis and apoptosis was also assessed. Cells exposed to different concentrations of artesunate showed a significant concentration‐dependent increase (P < 0.05) in DNA damage index and micronuclei frequency. A significant increase in the frequency of apoptotic and necrotic cells was also observed. Our results showed that artesunate is a genotoxic and cytotoxic compound in cultured human lymphocytes. Environ. Mol. Mutagen., 2011. © 2011 Wiley‐Liss, Inc.
A macro‐element model for non‐linear soil–shallow foundation–structure interaction under seismic loads: theoretical development and experimental validation on large scale tests
Authors: Figini R. , Paolucci R. , Chatzigogos C.T. 
Published: June 2011

SUMMARYIn this paper, different formulations of a macro‐element model for non‐linear dynamic soil‐structure interaction analyses of structures lying on shallow foundations are first reviewed, and secondly, a novel formulation is introduced, which combines some of the characteristics of previous approaches with several additional features. This macro‐element allows one to model soil‐footing geometric (uplift) and material (soil plasticity) non‐linearities that are coupled through a stiffness degradation model. Footing uplift is introduced by a simple non‐linear elastic model based on the concept of effective foundation width, whereas soil plasticity is treated by means of a bounding surface approach in which a vertical load mapping rule is implemented. This mapping is particularly suited for the seismic loading case for which the proposed model has been conceived. The new macro‐element is subsequently validated using cyclic and dynamic large‐scale laboratory tests of shallow foundations on dense sand, namely: the TRISEE cyclic tests, the Public Works Research Institute and CAMUS IV shaking table tests. Based on this comprehensive validation process against a set of independent experimental results, a unique set of macro‐element parameters for shallow foundations on dense sand is proposed, which can be used to perform predictive analyses by means of the present model. Copyright © 2011 John Wiley & Sons, Ltd.
An efficient performance‐based seismic design method for reinforced concrete frames
Authors: Hajirasouliha Iman , Asadi Payam , Pilakoutas Kypros 
Published: June 2011

SUMMARYIn this paper, a practical method is developed for performance‐based design of RC structures subjected to seismic excitations. More efficient design is obtained by redistributing material from strong to weak parts of a structure until a state of uniform deformation or damage prevails. By applying the design algorithm on 5, 10 and 15‐storey RC frames, the efficiency of the proposed method is initially demonstrated for specific synthetic and real seismic excitations. The results indicate that, for similar structural weight, designed structures experience up to 30% less global damage compared with code‐based design frames. The method is then developed to consider multiple performance objectives and deal with seismic design of RC structures for a design spectrum. The results show that the proposed method is very efficient at controlling performance parameters and improving structural behaviour of RC frames. Copyright © 2011 John Wiley & Sons, Ltd.
Mobility and contamination assessment of mercury in coal fly ash, atmospheric deposition, and soil collected from Tianjin, China
Authors: Wei Zheng , Wu Guanghong , Su Ruixian , Li Congwei , Liang Peiyu 
Published: June 2011

Abstract
Samples of class F coal fly ash (levels I, II, and III), slag, coal, atmospheric deposition, and soils collected from Tianjin, China, were analyzed using U.S. Environmental Protection Agency (U.S. EPA) Method 3052 and a sequential extraction procedure, to investigate the pollution status and mobility of Hg. The results showed that total mercury (HgT) concentrations were higher in level I fly ash (0.304 µg/g) than in level II and level III fly ash and slag (0.142, 0.147, and 0.052 µg/g, respectively). Total Hg in the atmospheric deposition was higher during the heating season (0.264 µg/g) than the nonheating season (0.135 µg/g). Total Hg contents were higher in suburban area soils than in rural and agricultural areas. High HgT concentrations in suburban area soils may be a result of the deposition of Hg associated with particles emitted from coal-fired power plants. Mercury in fly ash primarily existed as elemental Hg, which accounted for 90.1, 85.3, and 90.6% of HgT in levels I, II, and III fly ash, respectively. Mercury in the deposition existed primarily as sulfide Hg, which accounted for 73.8% (heating season) and 74.1% (nonheating season) of HgT. However, Hg in soils existed primarily as sulfide Hg, organo-chelated Hg and elemental Hg, which accounted for 37.8 to 50.0%, 31.7 to 41.8%, and 13.0 to 23.9% of HgT, respectively. The percentage of elemental Hg in HgT occurred in the order fly ash &gt; atmospheric deposition &gt; soils, whereas organo-chelated Hg and sulfide Hg occurred in the opposite order. The present approach can provide a window for understanding and tracing the source of Hg in the environment in Tianjin and the risk associated with Hg bioaccessibility. Environ. Toxicol. Chem. 2011;30:1997–2003. © 2011 SETAC
Critical load analysis in hazard assessment of metals using a Unit World Model
Authors: Gandhi Nilima , Bhavsar Satyendra P , Diamond Miriam L 
Published: June 2011

Abstract
A Unit World approach has been used extensively to rank chemicals for their hazards and to understand differences in chemical behavior. Whereas the fate and effects of an organic chemical in a Unit World Model (UWM) analysis vary systematically according to one variable (fraction of organic carbon), and the chemicals have a singular ranking regardless of environmental characteristics, metals can change their hazard ranking according to freshwater chemistry, notably pH and dissolved organic carbon (DOC). Consequently, developing a UWM approach for metals requires selecting a series of representative freshwater chemistries, based on an understanding of the sensitivity of model results to this chemistry. Here we analyze results from a UWM for metals with the goal of informing the selection of appropriate freshwater chemistries for a UWM. The UWM loosely couples the biotic ligand model (BLM) to a geochemical speciation model (Windermere Humic Adsorption Model [WHAM]) and then to the multi-species fate transport-speciation (Transpec) model. The UWM is applied to estimate the critical load (CL) of cationic metals Cd, Cu, Ni, Pb, and Zn, using three lake chemistries that vary in trophic status, pH, and other parameters. The model results indicated a difference of four orders of magnitude in particle-to-total dissolved partitioning (Kd) that translated into minimal differences in fate because of the short water residence time used. However, a maximum 300-fold difference was calculated in Cu toxicity among the three chemistries and three aquatic organisms. Critical loads were lowest (greatest hazard) in the oligotrophic water chemistry and highest (least hazard) in the eutrophic water chemistry, despite the highest fraction of free metal ion as a function of total metal occurring in the mesotrophic system, where toxicity was ameliorated by competing cations. Water hardness, DOC, and pH had the greatest influence on CL, because of the influence of these factors on aquatic toxicity. Environ. Toxicol. Chem. 2011;30:2157–2166. © 2011 SETAC
Aquatic to terrestrial transfer of sediment associated persistent organic pollutants is enhanced by bioamplification processes
Authors: Daley Jennifer M , Corkum Lynda D , Drouillard Ken G 
Published: June 2011

Abstract
Ephemeral emergent insects, such as mayflies (Hexagenia spp.), are commonly used as biomonitors of persistent organic pollutants (POPs) and provide a vector for aquatic-terrestrial contaminant transfer. Mayflies bioaccumulate sediment-associated contaminants by bioconcentration and biomagnification during the aquatic stage and concentrate POP residues postemergence due to bioamplification, which occurs as a result of weight and lipid loss without contaminant loss. The present study quantified polychlorinated biphenyl (PCB) bioamplification in male and female emergent mayflies at three sites. Male mayflies used 36 to 68% of their lipids during emergence, with the exception of caged males that were prevented from flight. Females did not lose lipid content between pre-emergent nymph and emerged life stages. Mass balance indicated no PCB elimination between life stages. The mean PCB bioamplification factor, expressed as the ratio of lipid-equivalent PCB concentrations across life stages, was 2.05 ± 0.38 for male imagos/nymphs and 1.91 ± 0.18 for male imago/subimago life stages. For females, bioamplification factors were close to unity. Wildlife consumers of imago stages of emergent mayflies can potentially increase their total daily intake of PCBs by 36% depending on the sex-ratio composition of their diet relative to animals that feed predominantly on nymph or subimago stages during mass emergence events. Environ. Toxicol. Chem. 2011;30:2167–2174. © 2011 SETAC
Enzymatic correlates of energy status in wild yellow perch inhabiting clean and contaminated environments
Authors: Gauthier Charles , Campbell Peter G.C , Couture Patrice 
Published: June 2011

Abstract
Enzymes representing a variety of metabolic pathways were examined in yellow perch (Perca flavescens) collected from a metal-contaminated region (Rouyn-Noranda, Québec, Canada) to determine which were most closely related to fish condition factor, pyloric caeca weight, and visceral lipid accumulation, as well to seek a better understanding of the influence of metal contamination on the physiology and biometrics of perch. Compared to laboratory fish, wild perch were under important energy restrictions. The condition factor of wild fish was correlated with indicators of aerobic metabolism (citrate synthase, cytochrome C oxidase), protein anabolism (nucleoside diphosphokinase), and indicators of lipid accumulation (glucose-6-phosphate dehydrogenase, visceral lipid index). Pyloric caeca weights were well correlated with indicators of protein anabolism, but only when both seasons were examined together, possibly indicating a lag in the response of enzymes to changes in diet. The addition of contaminant stress to existing energy restrictions led to changes in the relationships between enzymes and biometrics, reducing the predictive power of the models for perch in contaminated lakes. The present study broadens our knowledge of the impact of metal contamination on energy accumulation and tissue metabolic capacities in wild perch. Environ. Toxicol. Chem. 2011;30:2148–2156. © 2011 SETAC
A linear solvation energy relationship model of organic chemical partitioning to dissolved organic carbon
Authors: Kipka Undine , Di Toro Dominic M 
Published: June 2011

Abstract
Predicting the association of contaminants with both particulate and dissolved organic matter is critical in determining the fate and bioavailability of chemicals in environmental risk assessment. To date, the association of a contaminant to particulate organic matter is considered in many multimedia transport models, but the effect of dissolved organic matter is typically ignored due to a lack of either reliable models or experimental data. The partition coefficient to dissolved organic carbon (KDOC) may be used to estimate the fraction of a contaminant that is associated with dissolved organic matter. Models relating KDOC to the octanol–water partition coefficient (KOW) have not been successful for many types of dissolved organic carbon in the environment. Instead, linear solvation energy relationships are proposed to model the association of chemicals with dissolved organic matter. However, more chemically diverse KDOC data are needed to produce a more robust model. For humic acid dissolved organic carbon, the linear solvation energy relationship predicts log KDOC with a root mean square error of 0.43. Environ. Toxicol. Chem. 2011;30:2023–2029. © 2011 SETAC