bluuebunny/crossref_metadata_2025_split huggingface dataset:
Restoring Histone Deacetylase Activity by Waste Product Release. A View from Molecular Mechanics Simulations with Mammalian HDAC8
Authors: Pietra Francesco 
Published: April 2015

AbstractHDAC8 is a ZnII‐based, single‐peptide mammalian histone deacetylase that is localized mainly in the cytoskeleton of smooth muscle cells, thus regulating muscle contractility. HDACs are also widely involved in cellular processes, ranging from cell differentiation to proliferation, senescence, and apoptosis; in particular, protecting a telomerase activator from ubiquitin‐mediated degradation. How HDACs can eliminate the hydrolytic reaction products, in order that the process of deacetylation of the acetyllysine moiety of histones can take place again, has long been debated in the scientific literature, without reaching any firm conclusion, however. This question is the subject of the present work, carried out along a theoretical line that is capable of describing the whole pathway followed by the acetate product (ACT). A model was built here on the crystal data for the Y306F‐mutated HDAC8 complex with a diacetylated peptide of the p53‐tumor‐suppressor class. That was followed by manually hydrolyzing the acetylated moiety bound to ZnII and discharging the monoacetylated peptide product (MAP). The latter was replaced by a H2O molecule bound to ZnII, while ACT was left free in the reaction cage. This ZnII cluster was DFT‐parameterized for the ff99SB force field without any further bias. As the result of random‐acceleration molecular dynamics (RAMD) simulations, egress of ACT from the reaction cage toward the aqueous environment can follow three pathways. Two of them utilize the channel for peptide (or histone) uptake and are preferred, if ACT leaves the reaction center before MAP (or the deacetylated histone). The third pathway, developing along the internal channel, is available to ACT even if MAP is still in place.
Radio‐modifying potential of Saraca indica against ionizing radiation: an in vitro study using Chinese hamster lung fibroblast (V79) cells
Authors: Das Shubhankar , Kumar Rishikesh , Rao Bola Sadashiva Satish 
Published: April 2015

AbstractThis study demonstrated the radioprotective efficacy of extracts prepared from stem bark of Saraca indica (SI) against X‐rays induced cellular damage, which was evaluated by a battery of cytotoxicity, genotoxicity, apoptotic, and biochemical assays using Chinese hamster fibroblast (V79) cells. Cell viability and surviving fraction were increased significantly when V79 cells were preconditioned with optimal concentration of hydroalcoholic extract (HE; 50 μg/mL) of SI for 2 h prior exposure to X‐rays. Radiation induced cellular damage was correlated with a significant elevation in intracellular ROS and increased mitochondrial depolarization and loss of intracellular antioxidant enzymes. However, cells preconditioned with 50 μg/mL of HE reversed this effect. Pretreatment of HE resulted in inhibition of radiation induced GSH, GST, SOD, catalase levels, and lipid peroxidation to that of radiation‐alone treated group. Also, a significant decrease in radiation induced DNA damage, apoptotic and necrotic cell death was observed in case of cells preconditioned with HE. Supporting to this HPLC analysis indicated the presence of ellagic acid as one of the major phytochemical present in HE. Thus, the maintenance of cellular redox status by pretreatment with HE, conferred protection of cellular DNA, oxidative stress by neutralizing free radicals generated by the cellular irradiation and resulted in increased in cell survival may be attributed to the presence of ellagic acid indicating SI's radioprotective potential.
Influence of vascular endothelial growth factor and Cysteamine on in vitro bovine oocyte maturation and subsequent embryo development
Authors: Anchordoquy Juan Mateo , Anchordoquy Juan Patricio , Testa Juan Alberto , Sirini Matías Ángel , Furnus Cecilia C. 
Published: April 2015

AbstractThe objective of this study was to investigate the effect of VEGF and Cysteamine during in vitro maturation (IVM) of bovine oocytes on GSH content and developmental competence. For this purpose, experiments were designed to evaluate the effect of 0, 100, 300, and 500 ng/mL VEGF in IVM medium on: GSH content in oocytes and cumulus cells (Exp. 1) and subsequent embryo development (Exp. 2). Also, influence of adding 500 ng/mL VEGF and 100 μM Cysteamine to IVM medium on GSH content in oocytes and cumulus cells (Exp. 3) and oocyte developmental capacity (Exp. 4) were evaluated. Oocytes were matured in: a) Control; b) VEGF 0–3 h; c) Cysteamine 4–24 h; d) VEGF 0–3 h + Cysteamine 4–24 h; and e) VEGF + Cysteamine 24 h. The results showed that: i) VEGF did not alter GSH content in oocytes and cumulus cells; (ii) supplementation of 300 and 500 ng/mL VEGF increased blastocyst yield; (iii) the presence of VEGF + Cysteamine simultaneously during 24 h improved GSH content but not embryo development; and (iv) the presence of VEGF during the first 3 h + Cysteamine from 4 to 24 h increased GSH concentrations and subsequent embryo development. In conclusion, the addition of VEGF and Cysteamine in two sequential steps to maturation medium result in an improvement of cytoplasmic maturation, with a positive impact on oocyte developmental capacity by increasing the efficiency of in vitro blastocyst production. However, the effect was detrimental when both VEGF and Cysteamine were present during 24 of IVM.
Synthesis of a Fe–Ni Alloy on a Ceria Support as a Noble‐Metal‐Free Catalyst for Hydrogen Production from Chemical Hydrogen Storage Materials
Authors: Mori Kohsuke , Taga Tomohisa , Yamashita Hiromi 
Published: April 2015

AbstractThe front cover artwork for Issue 08/2015 is provided by the research group of Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University (Japan). The image shows hydrogen production from an aqueous solution of ammonia–borane (NH3–BH3, AB) by bimetallic Fe–Ni nanoparticles supported on CeO2. See the Full Paper itself at http://dx.doi.org/10.1002/cctc.201500101.
Hybrids from Farnesylthiosalicylic Acid and Hydroxamic Acid as Dual Ras‐Related Signaling and Histone Deacetylase (HDAC) Inhibitors: Design, Synthesis and Biological Evaluation
Authors: Ling Yong , Wang Xuemin , Wang Chenniu , Xu Chenjun , Zhang Wei , Zhang Yihua , Zhang Yanan 
Published: April 2015

AbstractA novel series of hybrids was designed and synthesized by combining key elements from farnesylthiosalicylic acid (FTS) and hydroxamic acid. Several 3,7,11‐trimethyldodeca‐2,6,10‐trien‐1‐yl) thio)benzamide derivatives, particularly those with branched and linear aliphatic linkers between the hydroxamic zinc binding group (ZBG) and the benzamide core, not only displayed significant antitumor activities against six human cancer cells but also exhibited histone deacetylase (HDAC) inhibitory effects in vitro. Among them, N‐(4‐(hydroxyamino)‐4‐oxobutyl)‐2‐(((2E,6E)‐3,7,11‐trimethyldodeca‐2,6, 10‐trien‐1‐yl)thio)benzamide (8 d) was the most potent, with IC50 values of 4.9–7.6 μM; these activities are eight‐ to sixteen‐fold more potent than FTS and comparable to that of suberoylanilide hydroxamic acid (SAHA). Derivative 8 d induced cell cycle arrest in the G0/G1 phase, inhibited the acetylation of histone H3 and α‐tubulin, and blocked Ras‐related signaling pathways in a dose‐dependent manner. The improved tumor growth inhibition and cell‐cycle arrest in vitro might result from the dual inhibition. These findings suggest dual inhibitors of Ras‐related signaling pathway and HDAC hold promise as therapeutic agents for the treatment of cancer.
Synthesis and Pharmacological Evaluation of α4β2 Nicotinic Ligands with a 3‐Fluoropyrrolidine Nucleus
Authors: Tamborini Lucia , Pinto Andrea , Ettari Roberta , Gotti Cecilia , Fasoli Francesca , Conti Paola , De Micheli Carlo 
Published: April 2015

AbstractNicotinic acetylcholine receptors (nAChRs) play an important role in many central nervous system disorders such as Alzheimer’s and Parkinson’s diseases, schizophrenia, and mood disorders. The α4β2 subtype has emerged as an important target for the early diagnosis and amelioration of Alzheimer’s disease symptoms. Herein we report a new class of α4β2 receptor ligands characterized by a basic pyrrolidine nucleus, the basicity of which was properly decreased through the insertion of a fluorine atom at the 3‐position, and a pyridine ring carrying at the 3‐position substituents known to positively affect affinity and selectivity toward the α4β2 subtype. Derivatives 3‐(((2S,4R)‐4‐fluoropyrrolidin‐2‐yl)methoxy)‐5‐(phenylethynyl)pyridine (11) and 3‐((4‐fluorophenyl)ethynyl)‐5‐(((2S,4R)‐4‐fluoropyrrolidin‐2‐yl)methoxy)pyridine (12) were found to be the most promising ligands identified in this study, showing good affinity and selectivity for the α4β2 subtype and physicochemical properties predictive of a relevant central nervous system penetration.
Synthesis and Spectral Characteristics of Novel Fluorescent Dyes Based on Pyrimido[4,5‐d] [1,2,4]triazolo[4,3‐a]pyrimidine
Authors: Mohadeszadeh Manijeh , Rahimizadeh Mohammad , Eshghi Hossein , Shiri Ali , Gholizadeh Mostafa , Shams Alireza 
Published: April 2015

AbstractDifferent derivatives of a novel heterocyclic system, i.e., pyrimido[4,5‐d] [1,2,4]triazolo[4,3‐a]pyrimidine, are synthesized in moderate‐to‐good yields. These compounds exhibit excellent photochromism upon photoirradiation. The photophysical characterizations of these new compounds were evaluated by UV/VIS absorption and fluorescence emission studies. The emission spectra in various solvents are also presented and discussed. The changes are due to the intramolecular H‐bonding of pyrimido‐triazolo‐pyrimidine with H2O, and photoinduced electron and general solvent effect. These compounds display high fluorescence quantum yields and are reported as new fluorophores.
Stereoselective Total Synthesis of Crassalactone A, a Natural Cytotoxic Styryl Lactone
Authors: Raghavendar Reddy Parigi , Das Biswanath 
Published: April 2015

AbstractA stereoselective total synthesis of a naturally occurring cytotoxic styryl lactone, crassalactone A (1), has been accomplished. The synthesis involves (−)‐diisopropyl D‐tartrate as the starting material, and the stereoselective additions of Grignard reagent and MeNO2 to two chiral aldehyde intermediates as the key steps.
Steroidal Alkaloids from Veratrum maackiiRegel with Genotoxicity on Brain‐Cell DNA in Mice
Authors: Cong Yue , Zhu Hua‐Lan , Zhang Qing‐Chun , Li Lin , Li Hai‐Yan , Wang Xian‐You , Guo Jing‐Gong 
Published: April 2015

AbstractTwo new steroidal alkaloids, 23‐methoxycyclopamine 3‐O‐β‐D‐glucopyranoside (1) and isoecliptalbine (2), were isolated from the root and rhizoma of Veratrum maackii Regel, together with five known compounds, i.e., verussurine (3), verabenzoamine (4), verazine (5), isoverazine (6), and verazinine (7). Their structures were established by extensive analysis of spectroscopic data, as well as by comparison with literature data. Compounds 1–7 could cause DNA damage in the cerebellum and cerebral cortex of mice in a dose‐dependent manner by using single‐cell gel electrophoresis (comet assay).
The functional‐cognitive meta‐theoretical framework: Reflections, possible clarifications and how to move forward
Authors: Barnes‐Holmes Dermot , Hussey Ian 
Published: April 2015

AbstractThe functional‐cognitive meta‐theoretical framework has been offered as a conceptual basis for facilitating greater communication and cooperation between the functional/behavioural and cognitive traditions within psychology, thus leading to benefits for both scientific communities. The current article is written from the perspective of two functional researchers, who are also proponents of the functional‐cognitive framework, and attended the “Building Bridges between the Functional and Cognitive Traditions” meeting at Ghent University in the summer of 2014. The article commences with a brief summary of the functional approach to theory, followed by our reflections upon the functional‐cognitive framework in light of that meeting. In doing so, we offer three ways in which the framework could be clarified: (a) effective communication between the two traditions is likely to be found at the level of behavioural observations rather than effects or theory, (b) not all behavioural observations will be deemed to be of mutual interest to both traditions, and (c) observations of mutual interest will be those that serve to elaborate and extend existing theorising in the functional and/or cognitive traditions. The article concludes with a summary of what we perceive to be the strengths and weaknesses of the framework, and a suggestion that there is a need to determine if the framework is meta‐theoretical or is in fact a third theoretical approach to doing psychological science.
Estimating Health Demand for an Aging Population: A Flexible and Robust Bayesian Joint Model
Authors: Mukherji Arnab , Roychoudhury Satrajit , Ghosh Pulak , Brown Sarah 
Published: April 2015

SummaryWe analyse two frequently used measures of the demand for health—hospital visits and out‐of‐pocket health care expenditure—which have been analysed separately in the existing literature. Given that these two measures of health demand are highly likely to be closely correlated, we propose a framework to jointly model hospital visits and out‐of‐pocket medical expenditure, which allows for the presence of nonlinear effects of covariates using splines to capture the effects of aging on health demand. The findings from our empirical analysis of the US Health and Retirement Survey indicate that the demand for health varies with age. © 2015 The Authors. Journal of Applied Econometrics published by John Wiley & Sons Ltd.
The surfactant dipalmitoylphophatidylcholine modifies acute responses in alveolar carcinoma cells in response to low‐dose silver nanoparticle exposure
Authors: Murphy A. , Sheehy K. , Casey A. , Chambers G. 
Published: April 2015

AbstractNanotechnology is a rapidly growing field with silver nanoparticles (AgNP) in particular utilized in a wide variety of consumer products. This has presented a number of concerns relating to exposure and the associated toxicity to humans and the environment. As inhalation is the most common exposure route, this study investigates the potential toxicity of AgNP to A549 alveolar epithelial carcinoma cells and the influence of a major component of lung surfactant dipalmitoylphosphatidylcholine (DPPC) on toxicity. It was illustrated that exposure to AgNP generated low levels of oxidative stress and a reduction in cell viability. While DPPC produced no significant effect on viability studies its presence resulted in increased reactive oxygen species formation. DPPC also significantly modified the inflammatory response generated by AgNP exposure. These findings suggest a possible interaction between AgNP and DPPC causing particles to become more reactive, thus increasing oxidative insult and inflammatory response within A549 cells. Copyright © 2015 John Wiley & Sons, Ltd.
Characterization of Epstein–Barr virus strains and LMP1‐deletion variants in Portugal
Authors: Neves Marco , Marinho‐Dias Joana , Ribeiro Joana , Esteves Marlene , Maltez Elsa , Baldaque Inês , Breda Eduardo , Monteiro Eurico , Medeiros Rui , Sousa Hugo 
Published: April 2015

Variations in the genome sequence of Epstein–Barr Virus (EBV) are thought to lead to differential interaction with host cells, immune evasion, and transformation. The discussion regarding EBV strains as having a geographic or disease‐association has been increasing and the majority of studies are performed in Asiatic populations.We developed a case‐control study with 139 individuals, including 96 subjects with different malignancies and 43 healthy individuals, from the North region of Portugal. We have used PCR protocols for the characterization of EBV strains (type A or B) based on EBNA3C genome variation and for the LMP1 30bp‐deletion variants (wt‐LMP1 or del‐LMP1).Our study showed that type A is the most prevalent in our population (100% of healthy controls, 96.9% of aHSCT patients, 90.8% of HNSCC patients, and 94.9% of NPC patients) and that type B was significantly associated with NPC (P = 0.019; RR = 8.90). Regarding the LMP1 30bp‐deletion, we found a similar distribution of both wt‐ and del‐LMP1 variants in controls and dispare results in cases: del‐LMP1 was more frequent in aHSCT and HNSCC patients (64.7% and 63.2%, respectively) and wt‐LMP1 in NPC patients (100%). In fact, the study reveals that wt‐LPM1 was significantly associated with NPC (P < 0.001; RR = 18.4).Hence, our study showed that EBV type B and wt‐LMP1 variant seem to be associated with NPC in our population, with a clear disease‐association for wt‐LMP1. These results contribute for the knowledge of EBV genetic diversity among Caucasian populations. J. Med. Virol. 87:1382–1388, 2015. © 2015 Wiley Periodicals, Inc.
Transient Chemical Oscillations in the 4‐(N,N‐Dimethylamino) Benzoic Acid–Bromate Reaction
Authors: Bell Jeffrey G. , Wang Jichang 
Published: April 2015

ABSTRACTThe bromination and oxidation of 4‐(N,N‐dimethylamino) benzoic acid (DMABA) by acidic bromate was investigated in a batch reactor through following their redox potential and UV/vis absorption spectra, in which transient oscillations with a long induction time were observed. Different from most of the bromate‐aromatic compound oscillators reported earlier, the addition of metal catalysts such as manganese, cerium, and ferroin does not significantly affect the nonlinear phenomena, but the induction time could be greatly shortened by adding bromide ions as a starting reagent. The reaction between bromine and DMABA was identified through 1H NMR spectroscopy to form 3‐bromo‐4‐(N,N‐dimethylamino) benzoic acid. The compound 3‐bromo‐DMABA was also found to occur relatively early during the bromate‐DMABA reaction and was determined to be a major component prior to the onset of oscillations. Periodic evolution of 3‐bromo‐4‐(N,N‐dimethylamino) benzoic acid has been detected with a UV/vis spectrophotometer.
Pseudoexon activation increases phenotype severity in a Becker muscular dystrophy patient
Authors: Greer Kane , Mizzi Kayla , Rice Emily , Kuster Lukas , Barrero Roberto A. , Bellgard Matthew I. , Lynch Bryan J. , Foley Aileen Reghan , O Rathallaigh Eoin , Wilton Steve D. , Fletcher Sue 
Published: April 2015

AbstractWe report a dystrophinopathy patient with an in‐frame deletion of DMD exons 45–47, and therefore a genetic diagnosis of Becker muscular dystrophy, who presented with a more severe than expected phenotype. Analysis of the patient DMD mRNA revealed an 82 bp pseudoexon, derived from intron 44, that disrupts the reading frame and is expected to yield a nonfunctional dystrophin. Since the sequence of the pseudoexon and canonical splice sites does not differ from the reference sequence, we concluded that the genomic rearrangement promoted recognition of the pseudoexon, causing a severe dystrophic phenotype. We characterized the deletion breakpoints and identified motifs that might influence selection of the pseudoexon. We concluded that the donor splice site was strengthened by juxtaposition of intron 47, and loss of intron 44 silencer elements, normally located downstream of the pseudoexon donor splice site, further enhanced pseudoexon selection and inclusion in the DMD transcript in this patient.
A two‐layer mesh method for discrete element simulation of gas‐particle systems with arbitrarily polyhedral mesh
Authors: Su Junwei , Gu Zhaolin , Chen Chungang , Xu Xiao Yun 
Published: April 2015

SummaryInter‐phase momentum coupling for particle flows is usually achieved by means of direct numerical simulation (DNS) or point source method (PSM). DNS requires the mesh size of the continuous phase to be much smaller than the size of the smallest particle in the system, whereas PSM requires the mesh size of the continuous phase to be much larger than the particle size. However, for applications where mesh sizes are similar to the size of particles in the system, neither DNS nor PSM is suitable. In order to overcome the dependence of mesh on particle sizes associated with DNS or PSM, a two‐layer mesh method (TMM) is proposed. TMM involves the use of a coarse mesh to track the movement of particle clouds and a fine mesh for the continuous phase, with mesh interpolation for information exchange between the coarse and fine mesh Numerical tests of different interpolation methods show that a conservative interpolation scheme of the second order yields the most accurate results. Numerical simulations of a fluidized bed show that there is a good agreement between predictions using TMM with a second‐order interpolation scheme and the experimental results, as well as predictions obtained with PSM. Copyright © 2015 John Wiley & Sons, Ltd.
Degradation mechanisms of polyfluorene‐based organic semiconductor lasers under ambient and oxygen‐free conditions
Authors: Brenner Philipp , Fleig Lena‐Maria , Liu Xin , Welle Alexander , Bräse Stefan , Lemmer Uli 
Published: April 2015

ABSTRACTIn this communication we investigate the degradation mechanisms of different highly fluorescent polyfluorenes for applications as active organic semiconductor material in laser devices. Using various analytical methods, like Ultraviolet‐Visible (UV‐Vis) absorption spectroscopy, Fourier‐transform infrared spectroscopy (FT‐IR) and time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS), we investigate photo‐induced degradation mechanisms. It is shown that the photo‐oxidation rate decreases with an increasing number of benzothiadiazole units within the conjugated polymer. Photooxidation is much more distinct for poly[9,9‐dioctylfluorenyl‐2,7‐diyl] (PFO) than for poly[(9,9‐dioctylfluorenyl‐2,7‐diyl)‐alt‐co‐(1,4‐benzo‐{2,1′,3}‐thiadiazole)] (F8BT). The influence of the photooxidation on the lifetime of the organic laser devices is not as profound as previously assumed, since the laser shuts down before any evidence of photo‐oxidation in F8BT manifests. We observe that the solubility of the material is different at various degradation levels and we consider chain scission of excited bonds and cross‐linking as dominant degradation factors. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015, 53, 1029–1034