bluuebunny/crossref_metadata_2025_split huggingface dataset:
Differential Anticancer Activities of the Geometric Isomers of Dinuclear Iridium(III) Complexes
Authors: Pandrala Mallesh , Sundaraneedi Madhu K. , Ammit Alaina J. , Woodward Clifford E. , Wallace Lynne , Keene F. Richard , Collins J. Grant 
Published: November 2015

AbstractThe anticancer activities of dinuclear iridium(III) complexes [{Ir(tpy)Cl}2{μ‐bbn}]4+ {Cl‐Irbbn; tpy = 2,2′:6′,2″‐terpyridine, bbn = bis[4(4′‐methyl‐2,2′‐bipyridyl)]‐1,n‐alkane (n = 7, 12 and 16)} against MCF‐7 and MDA‐MB‐231 breast cancer cell lines have been determined. The activities of the Cl‐Irbbn complexes increased with increasing chain length, the Cl‐Irbb16 complex showing the best anticancer properties. However, while Cl‐Irbb16 was active against the metastatic MDA‐MB‐231 cells (3 μM), it was relatively inactive against the nonmetastatic MCF‐7 line (29 μM). The three geometric isomers of Cl‐Irbb16 were isolated and characterised by NMR spectroscopy and mass spectrometry, and their anticancer activities, lipophilicities (log P) and DNA‐binding abilities were examined. The trans,trans (t,t) isomer (IC50 = 2 μM against MDA‐MB‐231) showed considerably greater anticancer activity than the cis,trans (c,t) and cis,cis (c,c) isomers (8 and 31 μM, respectively). From log P measurements, the t,t isomer of Cl‐Irbb16 (log P = –0.62) was found to be slightly more lipophilic than the other geometric isomers (–0.95 and –0.98 for the c,c and c,t isomers, respectively). Calf‐thymus (CT) DNA‐binding experiments demonstrated that the t,t isomer did induce a different alteration to the helix conformation compared to the other isomers. The results of this study also highlight the significance of the differences in three‐dimensional shape that can be obtained through geometric isomerism for octahedral coordination complexes.
Calcium‐Catalyzed Synthesis of 1,2‐Disubstituted 3‐Benzazepines
Authors: Damsen Helena , Niggemann Meike 
Published: November 2015

AbstractA short and highly stereoselective chiral pool synthesis of tetrahydro‐3‐benzazepines as potential drug molecules is described, using simple enantiopure amino acids as the chiral building blocks. Intramolecular Friedel–Crafts alkylation towards seven‐membered rings was achieved with high diastereoselectivity for the first time and accomplished by a biocompatible calcium catalyst. The simple and cost efficient approach allows for the variation of all substituents in the 3‐benzazepine by a change of the substitution pattern in one or more of the reagents, while leaving the general synthetic route unchanged. Furthermore, assignment of the absolute configuration of the 3‐benzazepine derivative is straightforward, based on the amino acid building block employed.
Aldol Additions of Titanium and Boron Enolates of Achiral and Chiral δ‐Lactones to Achiral Model Aldehydes: Simple and Induced Diastereoselectivities
Authors: Weber Fabian , Becker Fabian , Keller Manfred , Hillebrecht Harald , Brückner Reinhard 
Published: November 2015

AbstractWe studied the steric course of aldol additions of CpTiCl2 (novel) or Bu2B enolates of the unsubstituted δ‐lactone and of the four monomethylated δ‐lactones to isobutyraldehyde, crotonaldehyde, and para‐bromobenzaldehyde. The titanium enolates reacted syn‐selectively with >95:5 ds in most cases. The boron enolates reacted anti‐selectively without exception (ds = 98:2 to 92:8). These selectivities paired with a preferred trans‐orientation of the α‐hydroxyalkyl substituents relative to the lactone's β‐ or γ‐methyl group and with a preferred cis‐orientation relative to the lactone's δ‐methyl group. Our preparation of γ‐methyl‐δ‐lactone (20) features a tandem glycol cleavage/lactol → lactone conversion with cat. TEMPO/stoichiom. PhI(OAc)2, which we believe is novel.
Ohmic Heating and Ionic Liquids in Combination for the Indium‐Promoted Synthesis of 1‐Halo Alkenyl Compounds: Applications to Pd‐Catalysed Cross‐Coupling Reactions
Authors: Soengas Raquel G. , Silva Vera L. M. , Pinto Joana , Rodríguez‐Solla Humberto , Silva Artur M. S. 
Published: November 2015

AbstractWe have explored the combination of ohmic heating (ΩH) with ionic liquids for indium‐promoted reactions and report herein the indium‐promoted dehalogenation of gem‐dibromo alkenes and the indium‐mediated reductive elimination of chlorohydrins for the synthesis of 1‐halo alkenyl derivatives. Heck, Stille, Suzuki, Kumada and Sonogashira couplings of the resulting 1‐halo‐1‐alkenes with appropriate reagents were carried out to give alkenes, dienes and enynes.
O‐Benzylation of Carboxylic Acids Using 2,4,6‐Tris(benzyloxy)‐1,3,5‐triazine (TriBOT) under Acidic or Thermal Conditions
Authors: Yamada Kohei , Yoshida Saki , Fujita Hikaru , Kitamura Masanori , Kunishima Munetaka 
Published: November 2015

AbstractTwo methods for the synthesis of benzyl esters from carboxylic acids using the O‐benzylating reagent 2,4,6‐tris(benzyloxy)‐1,3,5‐triazine (TriBOT) have been developed. The reactions were conducted either in the presence of a catalytic amount of TfOH at room temperature (acidic conditions) or in the absence of TfOH at 180–230 °C (thermal conditions). Interestingly, the O‐benzylation of hydroxy carboxylic acids under the two conditions afforded different products: The dibenzylated product under acidic conditions and the hydroxy ester under thermal conditions. In addition to these results, other evidence indicated that the former reaction proceeds through an SN1‐type mechanism, and the latter by an SN2‐type mechanism.
Triflimide‐Catalysed Rearrangement of N‐(1‐Trimethylsilyl)allylhydrazones Results in the Formation of Vinylsilanes and Cyclopropanes
Authors: Dittrich Sebastian , Bracher Franz 
Published: November 2015

AbstractA synthesis of terminal vinylsilanes by triflimide‐catalysed rearrangement of N‐(1‐trimethylsilyl)allylhydrazones is reported. This protocol provides a convenient access to versatile olefinic building blocks through a traceless bond construction. Hydrazones derived from aromatic aldehydes give cis‐cyclopropanes in an unexpected side‐reaction.
Palladium‐Catalyzed Oxidative Direct ortho‐C–H Acylation of Arenes with Aldehydes under Aqueous Conditions
Authors: Xiao Fuhong , Chen Shuqing , Huang Huawen , Deng Guo‐Jun 
Published: November 2015

AbstractPalladium‐catalyzed ortho‐acylation of arenes with aldehydes in the presence of tert‐butyl hydroperoxide (TBHP) as the oxidant under aqueous conditions has been demonstrated. The acylation reaction exhibits excellent regioselectivity and wide functional group tolerance.
Enantioselective Construction of the Biologically Important Cyclopenta[1,4]diazepine Framework Enabled by Asymmetric Catalysis by Chiral Spiro‐Phosphoric Acid
Authors: Sun Meng , Wang Yang , Yin Lei , Cao Yang‐Yan , Shi Feng 
Published: November 2015

AbstractA chiral spiro‐phosphoric‐acid‐catalyzed asymmetric approach for constructing the biologically important cyclopenta[1,4]diazepine scaffold with high enantioselectivity (up to 98:2 er) has been established through the use of three‐component tandem reactions of cyclopentane‐1,3‐dione, 1,2‐phenylenediamine, and isatins under mild reaction conditions. Among a series of chiral phosphoric acids, spiro‐phosphoric acid exhibited the highest catalytic activity on controlling the enantioselectivity of the three‐component tandem reaction. This reaction represents the first catalytic asymmetric construction of chiral cyclopenta[1,4]diazepine frameworks with structural diversity. The approach also constitutes the first systematic investigation on this catalytic asymmetric three‐component reaction, which will enrich the fields of both organocatalysis and catalytic asymmetric multicomponent reactions.
The identity of Campylocentrum sellowii (Angraecinae‐Orchidaceae): clarifying on its circumscription and lectotypifications
Authors: Pessoa Edlley , Alves Marccus 
Published: November 2015

AbstractCogniaux reviewed the Brazilian species of Campylocentrum and recognized Campylocentrum aciculatum and C. sellowii as distinct species. In his study, he also included two specimens of C. ornithorrhynchum among the material of C. sellowii. Examination of the type specimens shows that C. sellowii and C. aciculatum are the same species, and C. ornithorhyncum is a distinct species. The aim of this study is to clarify the identity of C. sellowii and expand the description to include the concept of C. aciculatum and exclude the floral characters of C. ornithorrhyncum. It also provides an illustration, distribution map, key, lectotypifications of the treated names and discussion of its affinities with related species. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Suppression of fructose‐bisphosphate aldolase C expression as a predictor of advanced oral squamous cell carcinoma
Authors: Li Yue‐Ju , Huang Tse‐Hung , Hsiao Michael , Lin Been‐Ren , Cheng Shih‐Jung , Yang Cheng‐Ning , Lai Wei‐Ting , Wu Tai‐Sheng , Fan Jia‐Ruei , Kuo Mark Yen‐Ping , Chang Cheng‐Chi 
Published: November 2015

AbstractBackgroundGlycolysis machinery regulates cancer cell behavior. However, the roles of these glycolysis enzymes in oral squamous cell carcinoma (OSCC) progression remain unknown.MethodsFructose‐bisphosphate aldolase C (ALDOC) expression in OSCC patients and cell lines was detected using quantitative real‐time polymerase chain reaction (PCR). The functions of ALDOC in migration and invasion were determined using gain and loss of function approaches. An orthotopic OSCC animal model was performed to investigate the effects of ALDOC on metastasis and tumorigenesis in vivo.ResultsALDOC expression is negatively significantly correlated with clinical outcome and cell migration in vitro and in vivo. ALDOC blocks adenosine triphosphate generation and lactate production, and mutation constructs of Arg42 and Lys146 functionally restore ALDOC‐inhibited cell migration and invasion.ConclusionALDOC functions as an OSCC prognosis marker clinically, and suppresses migration and invasion by its catalytic domain of Arg42 and Lys146. © 2015 Wiley Periodicals, Inc. Head Neck 38: E1075–E1085, 2016
When does spatial resolution become spurious in probabilistic flood inundation predictions?
Authors: Savage James Thomas Steven , Bates Paul , Freer Jim , Neal Jeffrey , Aronica Giuseppe 
Published: November 2015

AbstractAdvances in remote sensing have enabled hydraulic models to run at fine scale resolutions, producing precise flood inundation predictions. However, running models at finer resolutions increase their computational expense, reducing the feasibility of running the multiple model realizations required to undertake uncertainty analysis. Furthermore, it is possible that precision gained by running fine scale models is smoothed out when treating models probabilistically. The aim of this paper is to determine the level of spatial complexity that is required when making probabilistic flood inundation predictions. The Imera basin, Sicily is used as a case study to assess how changing the spatial resolution of the hydraulic model LISFLOOD‐FP impacts on the skill of conditional probabilistic flood inundation maps given model parameter and boundary condition uncertainties. We find that model performance deteriorates at resolutions coarser than 50 m. This is predominantly caused by changes in flow pathways at coarser resolutions which lead to non‐stationarity in the optimum model parameters at different spatial resolutions. However, although it is still possible to produce probabilistic flood maps that contain a coherent outline of the flood extent at coarser resolutions, the reliability of these maps deteriorates at resolutions coarser than 100 m. Additionally, although the rejection of non‐behavioural models reduces the uncertainty in probabilistic flood maps the reliability of these maps is also reduced. Models with resolutions finer than 50 m offer little gain in performance yet are more than an order of magnitude computationally expensive which can become infeasible when undertaking probabilistic analysis. Furthermore, we show that using deterministic, high‐resolution flood maps can lead to a spurious precision that would be misleading and not representative of the overall uncertainties that are inherent in making inundation predictions. Copyright © 2015 The Authors Hydrological Processes Published by John Wiley & Sons Ltd.
A new fluorescent dye for cell tracing and mitochondrial imaging in vitro and in vivo
Authors: Press Adrian T. , Ungelenk Luisa , Rinkenauer Alexandra C. , Gröger Marko , Lehmann Frank , Mosig Alexander , Schubert Ulrich S. , Clemens Mark G. , Bauer Michael 
Published: November 2015

Mitochondria contribute to redox and calcium balance, and apoptosis thus regulating cellular fate. In the present study, mitochondrial staining applying a novel dye, V07‐07059, was performed in human embryonic kidney cells, a human vascular endothelial cell line and primary human mononuclear cells. The new fluorescent mega Stokes dye (peak excitation: 488 nm, peak emission: 554 nm) showed superior fluorescent properties and stability. V07‐07059 stains mitochondria dependent on their membrane potential and is safe to use in vitro and in vivo. Unlike other dyes applied in this context (e.g. Tetramethylrhodamine methyl ester), V07‐07059 only marginally inhibits mitochondrial respiration and function. V07‐07059 enables real time imaging of mitochondrial trafficking and remodeling. Prolonged staining with V07‐07059 demonstrated the dyes suitability as a novel probe to track cells. In comparison to the widely used standard for cell proliferation and tracking studies 5(6)‐diacetate N‐succinimidyl ester, V07‐07059 proved superior regarding toxicity and photostability.
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405 nm versus 633 nm for protoporphyrin IX excitation in fluorescence‐guided stereotactic biopsy of brain tumors
Authors: Markwardt Niklas A. , Haj‐Hosseini Neda , Hollnburger Bastian , Stepp Herbert , Zelenkov Petr , Rühm Adrian 
Published: November 2015

Fluorescence diagnosis may be used to improve the safety and reliability of stereotactic brain tumor biopsies using biopsy needles with integrated fiber optics. Based on 5‐aminolevulinic‐acid‐induced protoporphyrin IX (PpIX) fluorescence, vital tumor tissue can be localized in vivo during the excision procedure to reduce the number of necessary samples for a reliable diagnosis.In this study, the practical suitability of two different PpIX excitation wavelengths (405 nm, 633 nm) was investigated on optical phantoms. Violet excitation at 405 nm provides a 50‐fold higher sensitivity for the bulk tumor; this factor increases up to 100 with decreasing fluorescent volume as shown by ray tracing simulations. Red excitation at 633 nm, however, is noticeably superior with regard to blood layers obscuring the fluorescence. Experimental results on the signal attenuation through blood layers of well‐defined thicknesses could be confirmed by ray tracing simulations. Typical interstitial fiber probe measurements were mimicked on agarose‐gel phantoms. Even in direct contact, blood layers of 20–40 µm between probe and tissue must be expected, obscuring 405‐nm‐excited PpIX fluorescence almost completely, but reducing the 633‐nm‐excited signal only by 25.5%. Thus, 633 nm seems to be the wavelength of choice for PpIX‐assisted detection of high‐grade gliomas in stereotactic biopsy.
PpIX signal attenuation through clinically relevant blood layers for 405 nm (violet) and 633 nm (red) excitation.magnified imagePpIX signal attenuation through clinically relevant blood layers for 405 nm (violet) and 633 nm (red) excitation.
Molecular Dynamics Studies on D835N Mutation in FLT3—Its Impact on FLT3 Protein Structure
Authors: Swetha Rayapadi G. , Ramaiah Sudha , Anbarasu Anand 
Published: November 2015

ABSTRACTMutations in Fetal Liver Tyrosine Kinase 3 (FLT3) genes are implicated in the constitutive activation and development of Acute Myeloid Leukaemia (AML). They are involved in signalling pathway of autonomous proliferation and block differentiation in leukaemia cells. FLT3 is considered as a promising target for the therapeutic intervention of AML. There are a few missense mutations associated with FLT3 that are found in AML patients. The D835N mutation is the most frequently observed and the aspartic acid in this position acts as a key residue for the receptor activation. The present study aims to understand the structural effect of D835N mutation in FLT3. We carried out the molecular dynamics (MD) simulation for a period of 120 ns at 300 K. Root‐mean square deviation, root‐mean square fluctuations, surface accessibility, radius of gyration, hydrogen bond, eigenvector projection analysis, trace of covariance matrix, and density analysis revealed the instability of mutant (D835N) protein. Our study provides new insights on the conformational changes in the mutant (D835N) structure of FLT3 protein. Our observations will be useful for researchers exploring AML and for the development of FLT3 inhibitors. J. Cell. Biochem. 117: 1439–1445, 2016. © 2015 Wiley Periodicals, Inc.
NME1L Negatively Regulates IGF1‐Dependent Proliferation of Breast Cancer Cells
Authors: You Dong‐Joo , Mander Sunam , Park Cho Rong , Koo Okjae , Lee Cheolju , Oh Seong‐Hyun , Ahn Curie , Seong Jae Young , Hwang Jong‐Ik 
Published: November 2015

ABSTRACTNon‐metastatic cells 1 (NME1) or nm23 is the first metastasis suppressor gene discovered. It functions through various enzymatic activities and interacts with many intracellular proteins. The NME1 gene encodes two splicing variants, NME1 and NME1L. Most studies have focused on NME1 because of its abundance in cells. We previously reported NME1L‐mediated suppression of NF‐κB signaling by interacting with and inhibiting IKKβ. In this study, we demonstrated that NME1L, but not NME1, mediated inhibition of cell proliferation, although both NME1 and NME1L were involved in suppressing metastasis. A reporter gene assay was performed to determine the growth signaling pathway regulated by NME1L but none of the growth factors tested could induce an NF‐κB‐dependent luciferase expression except TNFα. Interestingly, SRE‐reporter gene activation by IGF1 was significantly downregulated, along with reduction of ERK phosphorylation in NME1L expressing cells, compared to vector or NME1 expressing cells. NME1L directly interacted with KSR1, which is a scaffold for Raf‐1, MEK, and ERK, that regulates ERK activation. Hence, NME1L plays a crucial role in regulation of cell proliferation by inhibiting IGF1‐stimulated ERK phosphorylation through N‐terminal 25 amino acid‐mediated interaction with KSR1. J. Cell. Biochem. 117: 1454–1463, 2016. © 2015 Wiley Periodicals, Inc.
Biogenic and bio‐structured inorganic materials in heterogeneous catalysis: a brief overview
Authors: Hargreaves Justin SJ , Alharthi Abdulrahman I 
Published: November 2015

AbstractThis mini‐review highlights some research results related to the production and application of biogenic and biomorphic materials in catalysis. Such approaches are of interest for the preparation of materials of unusual and well defined morphology, as well as the recovery of valuable resources from waste streams. Areas covered are the application of biogenic iron oxide occurring as a natural waste in the form of iron ochre which can cause issues in water management, the application of biogenic manganese oxide materials formed from manganese rich media (and therefore possibly playing a role in water remediation), the application of bacteria for the preparation of metal nanoparticles of potential relevance to precious metal recovery from waste streams and the application of natural biological materials as templates for biomorphic inorganic materials of controlled and unusual uniform morphology. © 2015 Society of Chemical Industry
Photocatalytic degradation of the herbicide clopyralid: kinetics, degradation pathways and ecotoxicity evaluation
Authors: Berberidou Chrysanthi , Kitsiou Vasiliki , Karahanidou Sofia , Lambropoulou Dimitra A , Kouras Athanasios , Kosma Christina I , Albanis Triantafyllos A , Poulios Ioannis 
Published: November 2015

AbstractBACKGROUNDPhotocatalytic decomposition and mineralization of the herbicide clopyralid in aqueous solutions has been studied, aiming at an extended kinetic analysis, the elucidation of potential degradation pathways and the determination of ecotoxicity.RESULTSThe pseudo‐first‐order degradation kinetics was studied under different operational conditions, such as type of photocatalyst, catalyst loading, initial pH and hydrogen peroxide (H2O2) concentration. The degradation rates proved to be strongly influenced by these parameters. Organic chlorine and nitrogen were easily converted into inorganic in the presence of TiO2 P25, resulting in 90% conversion in both cases within 180 min of illumination, while conversion was enhanced in the presence of H2O2. Ten possible transformation products were identified by means of LC‐DAD‐ESI/MS analysis. Acute toxicity profiles using marine bacteria Vibrio fischeri showed an increasing trend during the first 60 min of illumination, which thereafter, progressively decreased.CONCLUSIONSIntermediates were formed mainly through pyridine ring transformation, dechlorination and decarboxylation reactions. The increasing trend in ecotoxicity at the first stages of degradation could be attributed to the progressive formation of intermediates more toxic than the parent molecule, or due to synergistic effects among the transformation products. © 2015 Society of Chemical Industry
Hominin subsistence and site function of TD10.1 bone bed level at Gran Dolina site (Atapuerca) during the late Acheulean
Authors: Rodríguez‐Hidalgo Antonio , Saladié Palmira , Ollé Andreu , Carbonell Eudald 
Published: November 2015

ABSTRACTIn a recent paper, Stiner reviewed certain trends in the Middle Palaeolithic (MP) economy and social behaviour, including most notably galvanization of the prime‐age ungulate hunting niche, and the intensification of occupations in the form of domestic–residential camps. However, the emergence of these trends is blurred when we observe the European archaeological record before Marine Oxygen Isotope Stage 7. Our aim in this paper is to test the validity of some key arguments related to subsistence and occupation to assess the Lower Palaeolithic roots of these MP trends, using the faunal record of the TD10.1 bone bed level (ca. 300 ka) at Gran Dolina (Atapuerca). The taphonomic results from this level indicate an assemblage composed almost exclusively of prime‐age ungulates. Anthropogenic marks are very abundant, reflecting a wide variety of domestic activities. Early primary access to the carcasses by hominins, indicated by the taxonomic and mortality patterns, suggests the procurement of animal carcasses by regular hunting. Red deer, accompanied in lower proportions by other prey species, reinforce the selective character of the hominin subsistence strategies at the Gran Dolina TD10.1 bone bed, expanding temporally and geographically our documentation of the MP hominin predatory niche. Taphonomy, together with other results from technology and archaeo‐stratigraphy, suggest that the bone bed accumulation reflects long‐term hominin use of the site as a residential base camp, suggesting deep roots for the observed MP subsistence and occupational patterns.