bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure and phase evolution of CaMnO3 perovskite during isothermal redox cycles
Authors: Yu Ningyu , Nair Mahesh Muraleedharan , Mahinpey Nader 
Published: March 2019

ABSTRACTPerovskite structured mixed metal oxides (ABO3) are one promising category of redox materials widely investigated for applications in various sustainable processes. In this study, we monitored the compositional and surface structural evolution of CaMnO3 under redox conditions at selected temperatures. The redox efficiency and stability of CaMnO3 was found to be temperature dependent. Despite enhanced sintering resistance and phase stability at 600 °C, the amount of oxygen release/uptake was low. At 750 °C, phase changes were found to diminish the redox efficiency in the long run. In contrast, at higher temperatures (900 °C) a stable oxygen uptake/release capacity was observed despite significant sintering and the associated structural and phase changes. The present study indicates that material composition and temperature determine the redox chemistry of CaMnO3 perovskite oxides. Interestingly, no noticeable amount of surface carbon deposition was detected under any stages of operation for this material.
Gas‐phase carbon coating of LiFePO4 nanoparticles in fluidized bed reactor
Authors: Sarbarze Samira Aghaee , Latifi Mohammad , Sauriol Pierre , Chaouki Jamal 
Published: March 2019

ABSTRACTLithium iron phosphate (LiFePO4 or LFP) is a promising cathode material for large‐scale rechargeable lithium ion batteries. It suffers, however, from low ionic and low electronic conductivities. Size reduction to nanoparticles and uniform coating of conductive carbon overcome the conductivity issues. The conventional solid or liquid carbon coating processes drawbacks include the following: carbon excess; non‐uniform carbon layer; and undesired carbon type. Furthermore, economical liquid‐ and solid‐based carbon sources, being wastes derived from other industries, may also introduce impurities detrimental to the battery performance. This article presents a new fluidized bed chemical vapour deposition process (FB‐CVD) to coat carbon on LFP nanoparticles, with a secondary size representing particles of the Geldart's group B powders, through the pyrolysis of propylene. This gas‐phase process is used to overcome challenges in conventional carbon coating processes. Operating conditions including reaction time, gas residence time, reaction temperature, inlet concentration of propylene, and catalytic effect of LiFePO4 powders were investigated to produce C‐LiFePO4 (or C‐LFP) powders with desired mass and uniformity of coated carbon while avoiding sintering of the material. In addition, a mechanism for gas‐phase C‐LFP production from LFP is proposed.
Structurally Diverse Histone Deacetylase Photoreactive Probes: Design, Synthesis, and Photolabeling Studies in Live Cells and Tissue
Authors: Aboukhatwa Shaimaa M. , Hanigan Thomas W. , Taha Taha Y. , Neerasa Jayaprakash , Ranjan Rajeev , El‐Bastawissy Eman E. , Elkersh Mohamed A. , El‐Moselhy Tarek F. , Frasor Jonna , Mahmud Nadim , McLachlan Alan , Petukhov Pavel A. 
Published: March 2019

AbstractHistone deacetylase (HDAC) activity is modulated in vivo by post‐translational modifications and formation of multiprotein complexes. Novel chemical tools to study how these factors affect engagement of HDAC isoforms by HDAC inhibitors (HDACi) in cells and tissues are needed. In this study, a synthetic strategy to access chemically diverse photoreactive probes (PRPs) was developed and used to prepare seven novel HDAC PRPs 9–15. The class I HDAC isoform engagement by PRPs was determined in biochemical assays and photolabeling experiments in live SET‐2, HepG2, HuH7, and HEK293T cell lines and in mouse liver tissue. Unlike the HDAC protein abundance and biochemical activity against recombinant HDACs, the chemotype of the PRPs and the type of cells were key in defining the engagement of HDAC isoforms in live cells. Our findings suggest that engagement of HDAC isoforms by HDACi in vivo may be substantially modulated in a cell‐ and tissue‐type‐dependent manner.
Molecular architecture of the zebra finch arcopallium
Authors: Mello Claudio V. , Kaser Taylor , Buckner Alexa A. , Wirthlin Morgan , Lovell Peter V. 
Published: March 2019

AbstractThe arcopallium, a key avian forebrain region, receives inputs from numerous brain areas and is a major source of descending sensory and motor projections. While there is evidence of arcopallial subdivisions, the internal organization or the arcopallium is not well understood. The arcopallium is also considered the avian homologue of mammalian deep cortical layers and/or amygdalar subdivisions, but one‐to‐one correspondences are controversial. Here we present a molecular characterization of the arcopallium in the zebra finch, a passerine songbird species and a major model organism for vocal learning studies. Based on in situ hybridization for arcopallial‐expressed transcripts (AQP1, C1QL3, CBLN2, CNTN4, CYP19A1, ESR1/2, FEZF2, MGP, NECAB2, PCP4, PVALB, SCN3B, SCUBE1, ZBTB20, and others) in comparison with cytoarchitectonic features, we have defined 20 distinct regions that can be grouped into six major domains (anterior, posterior, dorsal, ventral, medial, and intermediate arcopallium, respectively; AA, AP, AD, AV, AM, and AI). The data also help to establish the arcopallium as primarily pallial, support a unique topography of the arcopallium in passerines, highlight similarities between the vocal robust nucleus of the arcopallium (RA) and AI, and provide insights into the similarities and differences of cortical and amygdalar regions between birds and mammals. We also propose the use of AMV (instead of nucleus taenia/TnA), AMD, AD, and AI as initial steps toward a universal arcopallial nomenclature. Besides clarifying the internal organization of the arcopallium, the data provide a coherent basis for further functional and comparative studies of this complex avian brain region.
Is Excited‐State Aromaticity a Driving Force for Planarization of Dibenzannelated 8π‐Electron Heterocycles?
Authors: Toldo Josene , El Bakouri Ouissam , Solà Miquel , Norrby Per‐Ola , Ottosson Henrik 
Published: March 2019

AbstractCompounds with dibenzannelated heterocycles with eight π‐electrons are found in a range of applications. These molecules often adopt a bent structure in the ground state (S0) but can become planar in the first excited states (S1and T1) because of the cyclically conjugated 4nπ central ring, which fulfils the requirements for excited state aromaticity. We report on a quantum chemical investigation of the aromatic character in the S1and T1states of dibenzannelated seven‐ and six‐membered heterocycles with one, two, or three heteroatoms in the 8π‐electron ring. These states could have ππ* or nπ* character. We find that compounds with one or two heteroatoms in the central ring have ππ* states as their S1and T1states. They are to a significant degree influenced by excited state aromaticity, and their optimal structures are planar or nearly planar. Among the heteroatoms, nitrogen provides for the strongest excited state aromaticity whereas oxygen provides for the weakest, following the established trend of the S0state. Yet, dibenzannelated seven‐membered‐ring compounds with N=N bonds have non‐aromatic nπ* states with strongly puckered structures as their S1and T1states.
Insight into the Biological Activity of Organometallic Acetylsalicylic Acid (Aspirin) Derivatives
Authors: Kowalski Konrad 
Published: March 2019

AbstractDespite of its long history as a drug, aspirin (acetylsalicylic acid, ASA) still fascinates investigators across the fields of chemistry, biology and medicine. In this regard, the development of aspirin derivatives with new, beneficial, biological properties still remains a challenge for chemists. This short review focuses on the chemistry and the biological activity of organometallic (those with metal‐carbon bond) aspirin derivatives. Organometallic derivatization of aspirin has a profound influence on its mode of action and biological activity profile. In most organometallic ASA derivatives, the original ability for COX‐1/2 acetylation persists, yet the acetylation sites are modified in comparison to that triggered by ASA itself. This alternation results from a combination of the electronic effect and the steric hindrance provided by the organometallic entity. Secondly, the metal center itself has a strong influence on biological activity through e. g., the ability for reactive oxygen species (ROS) generation in the cells. All of these examples, which are uncommon for ASA molecular action mechanisms, contribute to new pharmacological properties of organometallic ASA derivatives. These properties comprise anticancer, antiparasitic, and antibacterial activity.
Tetraphenylethene 9,10‐Diphenylanthracene Derivatives – Synthesis and Photophysical Properties
Authors: Gao Can , Seow Jia Yi , Zhang Bolong , Hall Christopher R. , Tilley Andrew J. , White Jonathan M. , Smith Trevor A. , Wong Wallace W. H. 
Published: March 2019

AbstractA series of tetraphenylethene 9,10‐diphenylanthracene (TPE‐DPA) derivatives have been synthesized, and their photophysical properties studied. Photoluminescence measurements in PMMA, neat films and nanoparticle dispersions reveal that different aggregation states are formed, which leads to different photophysical behavior. The triplet excited state properties were studied using Pt(II) octaethylporphyrin (PtOEP) as triplet sensitizer. Upconverted emission from the DPA moiety is observed in nanoparticle dispersions of each derivative. A higher upconverted emission intensity is observed in aerated (compared to deaerated) solutions of the derivatives following irradiation, which is attributed to oxidation of the TPE moiety. These results provide valuable insight for the design of AIE luminogens for triplet‐triplet annihilation upconversion (TTA‐UC).
Liquid‐Phase Oligonucleotide Synthesis: Past, Present, and Future Predictions
Authors: Molina Alejandro Gimenez , Sanghvi Yogesh S. 
Published: March 2019

AbstractTherapeutic oligonucleotides have emerged as a powerful paradigm with the ability to treat a wide range of the human diseases. As a result, we have witnessed more than one hundred oligonucleotides currently in active clinical trials and eight Food and Drug Administration (FDA)‐approved drugs. Until now, the demand for oligonucleotide‐based drugs has been fulfilled by conventional solid‐phase synthesis in an effective manner. However, there are products in advanced stages of clinical trials projecting a collective demand of metric ton quantities in the near future. Therefore, large‐scale manufacturing of these products has become a high priority for process chemists. This article summarizes the advances in liquid‐phase oligonucleotide synthesis (LPOS) as a possible alternative strategy to meet the scale‐up challenge. A review of the literature describing major efforts in developing LPOS technologies is presented. Gratifyingly, serious attempts are under way to develop an efficient environmentally benign green chemistry protocol that is scalable and cost effective for the manufacturing of oligonucleotides. A summary of the most innovative LPOS protocols has been included to provide a glimpse of what may be possible in the future for large‐scale production of oligonucleotides. © 2019 by John Wiley & Sons, Inc.
Effect of Hepatic Organic Anion‐Transporting Polypeptide 1B Inhibition and Chronic Kidney Disease on the Pharmacokinetics of a Liver‐Targeted Glucokinase Activator: A Model‐Based Evaluation
Authors: Bergman Arthur , Bi Yi‐an , Mathialagan Sumathy , Litchfield John , Kazierad David J. , Pfefferkorn Jeffrey A. , Varma Manthena V.S. 
Published: March 2019

PF‐04991532 ((S)‐6‐(3‐Cyclopentyl‐2‐(4‐(trifluoromethyl)‐1H‐imidazol‐1‐yl) propanamido) nicotinic acid) is a glucokinase activator designed to achieve hepato‐selectivity via organic anion‐transporting polypeptides (OATP)s, so as to minimize systemic hypoglycemic effects. This study investigated the effect of OATP1B1/1B3 inhibition and renal impairment on PF‐04991532 oral pharmacokinetics. Cyclosporine (600 mg single dose) increased mean area under the plasma curve (AUC) of PF‐04991532 by approximately threefold in healthy subjects. In a renal impairment study, PF‐04991532 AUC values were ~ 2.3‐fold greater in subjects with mild, moderate, and severe kidney dysfunction, compared with healthy subjects. Physiologically‐based pharmacokinetic (PBPK) model parameterizing hepatic and renal transporter‐mediated disposition based on in vitro inputs, and verified using first‐in‐human data, indicated the key role of OATP‐mediated hepatic uptake in the systematic and target‐tissue exposure of PF‐04991532. Mechanistic evaluation of the clinical data suggest reduced hepatic OATPs (~ 35%) and renal organic anion transporter (OAT)3 (80–90%) function with renal impairment. This study illustrates the adequacy and utility of the PBPK approach in assessing the impact of drug interactions and kidney dysfunction on transporter‐mediated disposition.
Mechanofluorochromic Properties of an AIEE‐Active 2‐Phenylbenzoxazole Derivative: More than Meets the Eye?
Authors: Carayon Chantal , Ghodbane Abdelhamid , Leygue Nadine , Wang Jinhui , Saffon‐Merceron Nathalie , Brown Ross , Fery‐Forgues Suzanne 
Published: March 2019

AbstractThe presence of a dicyanovinyl group on the robust 2‐phenylbenzoxazole framework led to the emergence of aggregation‐induced emission enhancement (AIEE) characteristics. A mechanofluorochromic (MFC) behaviour was observed. The pristine microcrystals emitted yellow‐green light, which became golden yellow upon grinding, with the reverse process observed upon heating or solvent fuming. This phenomenon was accompanied by a reversible evolution of the photoluminescence quantum yields and lifetimes. These variations were attributed to the formation of different types of emissive species in the crystalline phases and in the ground material, which is a mixture of very small microcrystals and amorphous matter. Remarkably, evidence was also given for other spectroscopic effects, which depend on the size, compactness and heterogeneity of the solid samples. These effects are presumably linked to the generation of regions rich in low‐energy exciton traps in polycrystalline and pressed samples, and to light reabsorption. They are enhanced by the fact that the pristine platelets exhibit self‐waveguided edge emission, and they are all the more significant as the MFC effect is rather weak.
Efficient Separation of Photogenerated Charges in a Ferroelectric Molecular Wire: Nonadiabatic Dynamics Study on 3,5‐Dicyano‐1,7‐dimethylopyrrolo[3,2‐f]indole Trimer
Authors: Jankowska Joanna , Sobolewski Andrzej L. 
Published: March 2019

AbstractThe front cover artwork is provided by Joanna Jankowska from the University of Warsaw and Andrzej L. Sobolewski from the Institute of Physics, Polish Academy of Sciences. The image illustrates the photoinduced creation and ultrafast, spontaneous dissociation of an electron–hole pair in a highly polar molecular oligomer, which was investigated by theoretical means. Read the full text of the Communication at 10.1002/cptc.201800222.
Cost‐effective multi‐pulse AC‐DC converter with lower than 3% current THD
Authors: Abdollahi Rohollah , Gharehpetian Gevork B. ,   Senior Member IEEE, Mahdavi Mohammad Saeed 
Published: March 2019

SummaryIn this paper, a new multi‐pulse clean power converter topology is presented with lower than 3% input current total harmonic distortion (THD). The topology is based on the combination of a 36‐pulse converter and a pulse doubling circuit. The 36‐pulse converter consists of a “polygon” autotransformer and two 18‐pulse diode bridge rectifiers. Pulse doubling circuit consists of zero‐sequence‐blocking transformer (ZSBT) and tapped interphase transformer (IPT). The important advantage of the proposed AC‐DC converter is considerable reduction in burdens of the magnetic parts with respect to the nominal load rating. It provides more economical solution to achieve harmonic mitigation in electric power systems as compared with other 72‐pulse AC‐DC converters. The simulation and experimental results show that the input current THD is less than 3% using the proposed topology. The results indicate a significant reduction in the total cost and volume of the proposed 72‐pulse configuration in comparison with similar configurations. Also, it is shown that the proposed converter rating is about 44% of the DC load power.
Variation in hydrochory among lakes and streams: Effects of channel planform, roughness, and currents
Authors: Su Xiaolei , Lind Lovisa , Polvi Lina E. , Nilsson Christer 
Published: March 2019

AbstractThe configuration of channels in stream networks is vital for their connectivity, biodiversity, and metacommunity dynamics. We compared the capacity of three process domains—lakes, slow‐flowing reaches, and rapids—to disperse and retain plant propagules by releasing small wooden cubes as propagule mimics during the spring flood and recording their final locations. We also measured the geomorphic characteristics (planform, longitudinal profile, cross‐sectional morphology, and wood) of each process domain. The three process domains all differed in morphology and hydraulics, and those characteristics were important in shaping the transport capacity of mimics. On average, lakes retained more mimics than slow‐flowing reaches but did not differ from the retainment of rapids. Living macrophytes were the most efficient element trapping mimics. In rapids and slow‐flowing reaches, most trapped mimics remained floating, whereas in lakes, most mimics ended up on the banks. The decay curves of retention varied substantially among and within process domains. The results suggest that managers who rely on natural recovery of restored sites by means of plant immigration may benefit from understanding landscape patterns when deciding upon the location of restoration measures in stream networks.
Approach of coil layout identification for achieving target receiving power on electromagnetic field resonance type wireless power transfer
Authors: Doi Tatsuya , Harigaya Kyohei 
Published: March 2019

AbstractDetermining an optimum layout transferring and receiving coils is very important for electromagnetic field resonance type wireless power transfer, in order to obtain target receiving power or efficiency. In this paper, an approach for identifying a coil layout for electromagnetic field resonance type wireless power transfer is proposed. First, a simulation model of coil layout identification has been described. Second, the proposed approach has been applied to identifying an optimum layout of flux phase‐shifter coils between transferring and receiving coils, when receiving currents are achieved to target currents. Also, the proposed approach has been applied to identifying an optimum layout of flux phase‐shifter coils between transferring and receiving coils, when efficiency is achieved to target one. Further, the approach has been applied to identifying a layout of flux phase‐shifter coils, when three receiving currents were balanced three phase currents. As a result, the identified results have been verified the validity of the approach.
Left atrial strain and compliance in the diagnostic evaluation of heart failure with preserved ejection fraction
Authors: Reddy Yogesh N.V. , Obokata Masaru , Egbe Alexander , Yang Jeong Hoon , Pislaru Sorin , Lin Grace , Carter Rickey , Borlaug Barry A. 
Published: March 2019

AimsLeft atrial (LA) function is impaired in heart failure with preserved ejection fraction (HFpEF) and predicts disease severity and risk of adverse outcome. We sought to evaluate whether LA strain could enhance diagnosis of HFpEF.Methods and resultsConsecutive patients with unexplained exertional dyspnoea and image quality suitable for measuring LA strain underwent invasive cardiopulmonary exercise testing to ascertain the presence of HFpEF or non‐cardiac causes of dyspnoea (NCD). LA reservoir strain was measured in all patients, while LA conduit and booster strain were measured in patients with sinus rhythm. LA strain was measurable in 363 of 378 examinations (96.5%; HFpEF: 238, NCD: 125). LA reservoir strain (29 ± 16% vs. 40 ± 13%, P < 0.0001) and conduit strain (18 ± 10% vs. 22 ± 10%, P = 0.0001) were significantly impaired in HFpEF compared to NCD. Of all echocardiographic indices, LA reservoir strain best discriminated HFpEF from NCD [area under the curve (AUC) 0.719, P < 0.0001], outperforming E/e' (AUC difference +0.117, P < 0.0001), LA enlargement (+0.090, P = 0.001), tricuspid regurgitation velocity > 2.8 m/s (+0.082, P = 0.0085), left ventricular hypertrophy (+0.0159, P < 0.0001) and left ventricular global longitudinal strain (+0.0198, P < 0.0001). Indexing LA reservoir strain to estimated LA pressure (E/e') as a surrogate for LA compliance further improved diagnostic performance (AUC 0.772, P < 0.0001; +0.053 compared to LA reservoir strain alone, P = 0.003).ConclusionLeft atrial reservoir strain may provide enhanced diagnostic accuracy beyond conventional echocardiographic measures to discriminate HFpEF from NCD. Further study is required to verify the diagnostic utility of LA strain.
Comparative Lipid Peroxidation and Apoptosis in Embryo-Larval Zebrafish Exposed to 3 Azole Fungicides, Tebuconazole, Propiconazole, and Myclobutanil, at Environmentally Relevant Concentrations
Authors: Kumar N. , Awoyemi O. , Willis A. , Schmitt C. , Ramalingam L. , Moustaid-Moussa N. , Crago J. 
Published: March 2019

Abstract
Azole fungicides have entered the aquatic environment through agricultural and residential runoff. In the present study, we compared the off-target toxicity of tebuconazole, propiconazole, and myclobutanil using embryo-larval zebrafish as a model. The aim of the present study was to investigate the relative toxicity of tebuconazole, propiconazole, and myclobutanil using multiple-level endpoints such as behavioral endpoints and enzymatic and molecular biomarkers associated with their mode of action. Zebrafish embryos were exposed to azoles at environmentally relevant and high concentrations, 0.3, 1.0, and 1000 µg/L, starting at 5 h postfertilization (hpf) up to 48 hpf, as well as 5 d postfertilization (dpf). Relative mRNA expressions of cytochrome P450 family 51 lanosterol-14α-demethylase, glutathione S-transferase, caspase 9, phosphoprotein p53, and BCL2-associated X protein were measured to assess toxicity attributable to fungicides at the mRNA level, whereas caspase 3/7 (apoptosis) and 3,4-methylene​dioxy​amphetamine (lipid peroxidation) levels were measured at the enzymatic level. Furthermore, mitochondrial dysfunction was measure through the Mito Stress test using the Seahorse XFe24 at 48 hpf. In addition, light to dark movement behavior was monitored at 5 dpf using Danio Vision® to understand adverse effects at the organismal level. There was no significant difference in the light to dark behavior with exposure to azoles compared to controls. The molecular biomarkers indicated that propiconazole and myclobutanil induced lipid peroxidation, oxidative stress, and potentially apoptosis at environmentally relevant concentrations (0.3 and 1 µg/L). The results from the mitochondrial respiration assay indicated a slight decrease in spare respiratory capacity with an acute exposure (48 hpf) to all 3 azoles at 1000 µg/L. Based on the present results, propiconazole and myclobutanil are acutely toxic compared to tebuconazole in aquatic organisms at environmentally relevant concentrations. Environ Toxicol Chem 2019;38:1455–1466. © 2019 SETAC
Abstract
The present study concludes that tebuconazole is least toxic to aquatic organisms compared to myclobutanil and propiconazole under similar exposure conditions. BAX = BCL2-associated X protein; Casp9 = caspase 9; GST = glutathione S-transferase; LPO = lipid peroxidation; p53 = phosphoprotein p53.