bluuebunny/crossref_metadata_2025_split huggingface dataset:
Strong Binding and Off–On Signaling Functions of Deep‐Red Fluorescent TO‐PRO‐3 for Influenza A Virus RNA Promoter Region
Authors: Sato Yusuke , Aiba Yuri , Yajima Sayaka , Tanabe Takaaki , Higuchi Kei , Nishizawa Seiichi 
Published: May 2019

AbstractThe RNA promoter region of the influenza A virus has recently attracted much attention as an RNA target for the development of anti‐influenza drugs. However, there are very few reports on small RNA‐binding ligands targeting this region. In this work, it is reported that TO‐PRO‐3, a thiazole orange analogue with a trimethine bridge, exhibits strong and selective binding to the internal loop structure of the influenza A virus RNA promoter. This binding accompanies the remarkable light‐up response of TO‐PRO‐3 in the deep‐red spectral region. By virtue of these binding and fluorescence signaling functions, TO‐PRO‐3 can act as a useful indicator for the assessment of the binding capabilities of various test compounds for this RNA region, with a view toward the development of anti‐influenza drug candidates.
Initial low‐dose oral levothyroxine in a child with Down syndrome, myxedema, and cardiogenic shock
Authors: Janson Annika , Hällström Cathrin , Iversen Magnus , Finder Mikael , Elimam Amira , Nergårdh Ricard 
Published: May 2019

AbstractMyxedema is extremely rare in children, and guidelines are lacking. We treated a 12‐year‐old girl with myxedema and cardiogenic shock with initial low dose (0.3‐2.5 μg/kg body weight/day) of oral levothyroxine and intensive care. Oral administration may safely revert children's myxedema in a dosage resembling that for hypothyroidism.
Blount's disease: The importance of early diagnosis and early treatment
Authors: Delniotis Ioannis , Leidinger Benedikt , Kyriakou Aikaterini , Galanis Nikiforos 
Published: May 2019

AbstractThe purpose of this image is to raise awareness of the early diagnosis and treatment of Blount's disease. Failure to distinguish between physiologic genu varum and early onset of Blount's disease can lead to irreversible outcomes, including progressive deformity with gait deviations, limb‐length discrepancy, and premature arthritis of the knee.
Life Cycle Optimization for Synthetic Rubber Glove Manufacturing
Authors: Poh Gary K. X. , Chew Irene M. L. , Tan Jully 
Published: May 2019

AbstractProduction of synthetic gloves may cause adverse environmental impacts, including global warming, carbon footprint, acidification, photochemical ozone formation, eutrophication, human toxicity, and water footprint. Thus, life cycle assessment is applied as an environmental management tool to evaluate its environmental impacts. Life cycle optimization is implemented to minimize energy consumption and emission of greenhouse gases by proposing five alternative process improvement scenarios. Using electricity generated from biodiesel shows the least environmental impacts as compared to the other alternatives for the production of synthetic gloves. Future economic analysis is needed to evaluate the cost feasibility of these alternatives.
Supported Au Nanoparticles‐Catalyzed Regioselective Dehydrogenative Disilylation of Allenes by Dihydrosilane
Authors: Kidonakis Marios , Kotzabasaki Vasiliki , Vasilikogiannaki Eleni , Stratakis Manolis 
Published: May 2019

AbstractSupported Au nanoparticles on TiO2 catalyze the unprecedented dehydrogenative disilylation of monosubstituted and 1,1‐disubstituted allenes by Et2SiH2 exclusively on the terminal double bond in a stereoselective manner. Treatment of the disilylation products with H2O, in a one‐pot operation also catalyzed by Au/TiO2, leads to 3‐alkylidene‐1,2,5‐oxadisilolanes, an unknown class of heterocyclic compounds, which are excellent scaffolds for the stereoselective synthesis of alkenes under Hiyama‐type cross‐coupling conditions.
Highly Charged Ruthenium(II) Polypyridyl Complexes as Effective Photosensitizer in Photodynamic Therapy
Authors: Conti Luca , Bencini Andrea , Ferrante Camilla , Gellini Cristina , Paoli Paolo , Parri Matteo , Pietraperzia Giangaetano , Valtancoli Barbara , Giorgi Claudia 
Published: May 2019

AbstractA comparative study between two novel, highly water soluble, ruthenium(II) polypyridyl complexes, [Ru(phen)2L′] and [Ru(phen)2Cu(II)L′] (L and L‐CuII), containing the polyaazamacrocyclic unit 4,4′‐(2,5,8,11,14‐pentaaza[15])‐2,2′‐bipyridilophane (L′), is herein reported. L and L‐CuII interact with calf‐thymus DNA and efficiently cleave DNA plasmid when light‐activated. They also possess great penetration abilities and photo‐induced biological activities, evaluated on an A375 human melanoma cell line, with L‐CuII being the most effective. Our study highlights the key role of the Fenton active CuII center within the macrocycle framework, that would play a synergistic role with light activation in the formation of cytotoxic ROS species. Based on these results, an optimal design of RuII polypyridyl systems featuring specific CuII‐chelating polyamine units could represent a suitable strategy for the development of novel and effective photosensitizers in photodynamic therapy.
Chemical Modification of the N Termini of Unprotected Peptides for Semisynthesis of Modified Proteins by Utilizing a Hydrophilic Protecting Group
Authors: Chandrashekar Chaitra , Okamoto Ryo , Izumi Masayuki , Kajihara Yasuhiro 
Published: May 2019

AbstractA simple and efficient strategy for the selective modification of the peptide N terminus with an unnatural amino acid is described. A peptide having a SUMO‐HisTag‐TEV sequence (SUMO: small ubiquitin‐related modifier, TEV: tobacco etch virus) preceding the N terminus of the target peptide was designed. Recombinant expression in E. coli and subsequent SUMO protease cleavage yielded the HisTag‐TEV‐target peptide. Partial protection of the lysine side chains of this peptide with d‐glucopyranosyloxycarbonyl and removal of the HisTag‐TEV sequence by TEV protease yielded the partially protected peptide with a free N‐terminal amine. Coupling of selenocysteine selectively at the N terminus and subsequent acidic deprotection of the carbohydrate protecting groups yielded a modified peptide that can be used for native chemical ligation (NCL). As a proof of concept, the modification of a longer recombinant peptide with selenocysteinylserine (GalNAc) at the N terminus was demonstrated.
Bonds in atomic crystals, energy levels, quantum chemistry and electronegativity visualized by light emitting diodes (LED)
Authors: Koch Klemens 
Published: May 2019

AbstractBindungen in gemischten Atomkristallen werden anhand der Elemente N, P und As der Gruppe 15 aus dem Periodensystem in Leuchtdioden (LED) exemplarisch betrachtet. Die Farbe bzw. die Lichtenergie visualisiert die Elektronegativität der Elemente. Eine Kombination von verschiedenfarbigen LEDs als Emitter und Absorber (Detektoren) erlaubt, die Lichtenergien zu vergleichen und das Spektrum nach Energie zu ordnen. Es zeigt sich, dass Elektronen erst ab einer bestimmten Schwelle ins Leitungsband angeregt werden: Das ist der (innere) photoelektrische Effekt, ein Ausdruck der Quantifizierung der Energie bei Bindungen.
Effect of Asymmetric Anchoring Groups on Electronic Transport in Hybrid Metal/Molecule/Graphene Single Molecule Junctions
Authors: He Chunhui , Zhang Qian , Fan Yinqi , Zhao Cezhou , Zhao Chun , Ye Jingyao , Dappe Yannick J. , Nichols Richard J. , Yang Li 
Published: May 2019

AbstractA combined experimental and theoretical study on molecular junctions with asymmetry in both the electrode type and in the anchoring group type is presented. A scanning tunnelling microscope is used to create the “asymmetric” Au‐S‐(CH2)n‐COOH‐graphene molecular junctions and determine their conductance. The measurements are combined with electron transport calculations based on density functional theory (DFT) to analyze the electrical conductance and its length attenuation factor from a series of junctions of different molecular length (n). These results show an unexpected trend with a rather high conductance and a smaller attenuation factor for the Au‐S‐(CH2)n‐COOH‐graphene configuration compared to the equivalent junction with the “symmetrical” COOH contacting using the HOOC‐(CH2)n‐COOH series. Owing to the effect of the graphene electrode, the attenuation factor is also smaller than the one obtained for Au/Au electrodes. These results are interpreted through the relative molecule/electrode couplings and molecular level alignments as determined with DFT calculations. In an asymmetric junction, the electrical current flows through the less resistive conductance channel, similarly to what is observed in the macroscopic regime.
Clopidogrel Drug Interactions and Serious Bleeding: Generating Real‐World Evidence via Automated High‐Throughput Pharmacoepidemiologic Screening
Authors: Leonard Charles E. , Zhou Meijia , Brensinger Colleen M. , Bilker Warren B. , Soprano Samantha E. , Pham Nguyen Thanh Phuong , Nam Young Hee , Cohen Jordana B. , Hennessy Sean 
Published: May 2019

Few population‐based studies have examined bleeding associated with clopidogrel drug–drug interactions (DDIs). We sought to identify precipitant drugs taken concomitantly with clopidogrel (an object drug) that increased serious bleeding rates. We screened 2000–2015 Optum commercial health insurance claims to identify DDI signals. We performed self‐controlled case series studies for clopidogrel plus precipitant pairs, examining associations with gastrointestinal bleeding or intracranial hemorrhage. To distinguish native bleeding effects of a precipitant, we reexamined associations using pravastatin as a negative control object drug. Among 431 analyses, 28 clopidogrel plus precipitant pairs were statistically significantly positively associated with serious bleeding. Ratios of rate ratios ranged from 1.13–3.94. Among these pairs, 13 were expected given precipitant drugs alone increased and/or were harbingers of serious bleeding. The remaining 15 pairs constituted new DDI signals, none of which are currently listed in two major DDI knowledge bases.
LED‐Illuminated NMR Spectroscopy: A Practical Tool for Mechanistic Studies of Photochemical Reactions
Authors: Ji Yining , DiRocco Daniel A. , Kind Jonas , Thiele Christina M. , Gschwind Ruth M. , Reibarkh Mikhail 
Published: May 2019

AbstractThis Concept article highlights the development of a novel analytical tool, LED‐NMR (a combination of in situ light illumination using a light‐emitting diode and NMR spectroscopy) and its variant UVNMR (LED‐NMR coupled with UV/Vis absorption spectroscopy), as well as their applications in the mechanistic investigation of light‐induced transformations. The utility of these new tools has been demonstrated by providing rich kinetic and structural data of reaction species offering mechanistic insights into photochemical and photocatalytic reactions. Furthermore, NMR actinometry has been recently developed as a practical and simple method for quantum yield measurements. Quantum yield is an important parameter in photo‐induced processes, but is rarely measured in practice because of the barriers associated with traditional actinometry. These new tools and techniques streamline measurements of the quantum efficiency while affording informative mechanistic insights into photochemical reactions. We anticipate these techniques will enable chemists to further advance the rapidly emerging photochemistry field.
Conformational Control and Photophysical Properties of Methylene‐Tethered Bis[(naphthalene‐2‐yl)vinyl]benzenes
Authors: Watanabe Shoya , Yamanishi Katsunori , Tsuji Hayato 
Published: May 2019

AbstractWe have synthesized and isolated three planar dibenzo‐fused oligo(phenylenevinylene) isomers (l‐DBCOPV2, u‐DBCOPV2, and b‐DBCOPV2), which serve as model compounds for rotational conformers of bis[(naphthalene‐2‐yl)vinyl]benzene. Their photophysical properties were examined by UV/Vis absorption and emission spectroscopy, revealing that their emission colors changed from sky‐blue to green depending on the conformation. We have also measured their fluorescence lifetimes and carried out DFT calculations. These investigations revealed a more detailed conformation‐dependent character for l‐DBCOPV2, u‐DBCOPV2, and b‐DBCOPV2: The UV/Vis absorption and emission bands showed bathochromic shifts that increased in the order l‐DBCOPV2<u‐DBCOPV2<b‐DBCOPV2, whereas the extinction coefficients of the absorption decreased in the same order, suggesting a difference in the orbital interactions between the divinylbenzene core and the naphthalene components.
Aerobic Acyloxylation of Allylic C−H Bonds Initiated by a Pd0 Precatalyst with 4,5‐Diazafluoren‐9‐one as an Ancillary Ligand
Authors: Kozack Caitlin V. , Sowin Jennifer A. , Jaworski Jonathan N. , Iosub Andrei V. , Stahl Shannon S. 
Published: May 2019

AbstractPalladium‐catalyzed allylic C−H oxidation has been widely studied, but most precedents use acetic acid as the coupling partner. In this study, a method compatible with diverse carboxylic acid partners has been developed. Use of a Pd0 precatalyst under aerobic reaction conditions leads to oxidation of Pd0 by O2 in the presence of the desired carboxylic acid to generate a PdII dicarboxylate that promotes acyloxylation of the allylic C−H bond. Good‐to‐excellent yields are obtained with a roughly 1:1 ratio of the alkene and carboxylic acid reagents. Optimized reaction conditions employ 4,5‐diazafluoren‐9‐one (DAF) as a ligand, in combination with a quinone/iron phthalocyanine cocatalyst system to support aerobic catalytic turnover.
Bismuth‐Based Photocatalysts for Solar Photocatalytic Carbon Dioxide Conversion
Authors: Ye Liqun , Deng Yu , Wang Li , Xie Haiquan , Su Fengyun 
Published: May 2019

AbstractPhotocatalytic CO2 conversion into solar fuels is an effective means for simultaneously solving both the greenhouse effect and energy crisis. In the past ten years, bismuth‐based photocatalysts for environmental remediation have experienced a golden period of development. However, solar photocatalytic CO2 conversion has only been developed over the past five years and, until now, no reviews have been published on bismuth‐based photocatalysts for the photocatalytic conversion of CO2. For the first time, solar photocatalytic CO2 conversion systems are reviewed herein. Synthetic methods and photocatalytic CO2 performances of bismuth‐based photocatalysts, including Sillén‐structured BiOX (X=Cl, Br, I); Aurivillius‐structured Bi2MO6 (M=Mo, W); and Scheelite‐structured BiVO4, Bi2S3, BiYO3, and BiOIO3, are summarized. In addition, activity‐enhancing strategies for this photocatalyst family, including oxygen vacancies, bismuth‐rich strategy, facet control, conventional type II heterojunction, Z‐scheme heterojunction, and cocatalyst deposition, are reviewed. Finally, the main mechanistic research methods, such as in situ FTIR spectroscopy and theoretical calculations, are presented. Challenges and research trends reported in studies of bismuth‐based photocatalysts for photocatalytic CO2 conversion are discussed and summarized.
In vitro Phase I metabolism of indazole carboxamide synthetic cannabinoid MDMB‐CHMINACA via human liver microsome incubation and high‐resolution mass spectrometry
Authors: Presley Brandon C. , Logan Barry K. , Jansen‐Varnum Susan A. 
Published: May 2019

AbstractSynthetic cannabinoids have proliferated over the last decade and have become a major public health and analytical challenge, critically impacting the clinical and forensic communities. Indazole carboxamide class synthetic cannabinoids have been particularly rampant, and exhibit severe toxic effects upon consumption due to their high binding affinity and potency at the cannabinoid receptors (CB1 and CB2). MDMB‐CHMINACA, methyl 2‐[1‐(cyclohexylmethyl)‐1H‐indazole‐3‐carboxamido]‐3,3‐dimethylbutanoate, a compound of this chemical class, has been identified in forensic casework and is structurally related to several other synthetic cannabinoids. This study presents the first extensive report on the Phase I metabolic profile of MDMB‐CHMINACA, a potent synthetic cannabinoid. The in vitro metabolism of MDMB‐CHMINACA was determined via incubation with human liver microsomes and high‐resolution mass spectrometry. The accurate masses of precursor and fragments, mass error (ppm), and chemical formula were obtained for each metabolite. Twenty‐seven metabolites were identified, encompassing twelve metabolite types. The major biotransformations observed were hydroxylation and ester hydrolysis. Hydroxylations were located predominantly on the cyclohexylmethyl (CHM) moiety. Ester hydrolysis was followed by additional biotransformations, including dehydrogenation; mono‐ and dihydroxylation and ketone formation, each with dehydrogenation. Minor metabolites were identified and reported. The authors propose that CHM‐monohydroxylated metabolites specific to MDMB‐CHMINACA are the most suitable candidates for implementation into bioanalytical assays to demonstrate consumption of this synthetic cannabinoid. Due to the structural similarity of MDMB‐CHMINACA and currently trending synthetic cannabinoids whose metabolic profiles have not been reported, the results of this study can be used as a guide to predict their metabolic pathways.
Sub‐micrometer insights into the cytoskeletal dynamics and ultrastructural diversity of butterfly wing scales
Authors: Day Christopher R. , Hanly Joseph J. , Ren Anna , Martin Arnaud 
Published: May 2019

ABSTRACTBackgroundThe color patterns that adorn lepidopteran wings are ideal for studying cell type diversity using a phenomics approach. Color patterns are made of chitinous scales that are each the product of a single precursor cell, offering a 2D system where phenotypic diversity can be studied cell by cell, both within and between species. Those scales reveal complex ultrastructures in the sub‐micrometer range that are often connected to a photonic function, including iridescent blues and greens, highly reflective whites, or light‐trapping blacks.ResultsWe found that during scale development, Fascin immunostainings reveal punctate distributions consistent with a role in the control of actin patterning. We quantified the cytoskeleton regularity as well as its relationship to chitin deposition sites, and confirmed a role in the patterning of the ultrastructures of the adults scales. Then, in an attempt to characterize the range and variation in lepidopteran scale ultrastructures, we devised a high‐throughput method to quickly derive multiple morphological measurements from fluorescence images and scanning electron micrographs. We imaged a multicolor eyespot element from the butterfly Vanessa cardui (V. cardui), taking approximately 200 000 individual measurements from 1161 scales. Principal component analyses revealed that scale structural features cluster by color type, and detected the divergence of non‐reflective scales characterized by tighter cross‐rib distances and increased orderedness.ConclusionWe developed descriptive methods that advance the potential of butterfly wing scales as a model system for studying how a single cell type can differentiate into a multifaceted spectrum of complex morphologies. Our data suggest that specific color scales undergo a tight regulation of their ultrastructures, and that this involves cytoskeletal dynamics during scale growth.
Burden or Opportunity? Parent Experiences When Approached for Research in a Pediatric Intensive Care Unit
Authors: Paquette Erin , Shukla Avani , Davidson Jacob , Rychlik Karen , Davis Matthew 
Published: May 2019

ABSTRACTDespite an ongoing need for pediatric research, low study enrollment may impede study completion, particularly in critical care. We conducted a prospective cross‐sectional survey and chart review study to assess parent experiences with research in a pediatric intensive care unit (PICU). Of the 80 parents who completed the study survey, 54% were approached to participate in a research study in the PICU, and 93% agreed to participate. Motivators included altruism, low burden, low risk, and research that would benefit the child. Barriers included risks to the child, the child's being too sick to participate, feeling overwhelmed, not having enough time to participate, the research's being burdensome, and the research's not being explained well. PICU parents had mostly favorable attitudes toward research participation. Compared with non‐Hispanic survey respondents, respondents of Hispanic ethnicity less often reported having been approached for research, which further evidences the need to track research recruitment processes to help avoid underinclusion of members of minority populations.
The Role of Inclusion Benefits in Ethics Committee Assessment of Research Studies
Authors: Rennie Stuart , Day Suzanne , Mathews Allison , Gilbertson Adam , Luseno Winfred K. , Tucker Joseph D. , Henderson Gail E. 
Published: May 2019

ABSTRACTThe relationship between risks and benefits is central to the ethics of research involving human participants. Traditionally, to be ethically justifiable, risks should be reasonable in relation to anticipated benefits (if any) to subjects and to the potential social benefits resulting from research. This calculus is being further complicated by findings from an increasing number of social science studies that reveal that prospective and actual research participants frequently describe various types of inclusion benefits (for example, personal benefits such as access to or improved health care, increased knowledge about their disease or condition, and greater solidarity with the local community) as important to them. What is the ethical significance of such inclusion benefits, particularly those nonmedical in nature, for research ethics committees' risk‐benefit assessment of research studies? We argue that, unless participants are clearly mistaken in their perceptions, ethics committees should take these types of inclusion benefits into account, and we suggest a few ways this might look in practice.
Species‐specific responses to habitat conversion across scales synergistically restructure Neotropical bird communities
Authors: Frishkoff Luke O. , Karp Daniel S. 
Published: May 2019

AbstractEcologists are increasingly exploring methods for preserving biodiversity in agricultural landscapes. Yet because species vary in how they respond to habitat conversion, ecological communities in agriculture and more natural habitats are often distinct. Unpacking the heterogeneity in species responses to habitat conversion will be essential for predicting and mitigating community shifts. Here, we analyze two years of bird censuses at 150 sites across gradients of local land cover, landscape forest amount and configuration, and regional precipitation in Costa Rica to holistically characterize species responses to habitat conversion. Specifically, we used Poisson‐binomial mixture models to (1) delineate groups of species that respond similarly to environmental gradients, (2) explore the relative importance of local vs. landscape‐level habitat conversion, and (3) determine how landscape context influences species’ local habitat preferences. We found that species fell into six groups: habitat generalists, abundant and rare forest specialists, and three groups of agricultural specialists that differed in their responses to landscape forest cover, fragmentation, and regional precipitation. Birds were most sensitive to local forest cover, but responses were contingent on landscape context. Specifically, forest specialists benefitted most when local forest cover increased in forested landscapes, while habitat generalists exhibited compensatory dynamics, peaking at sites with either local or landscape‐level forest, but not both. Our study demonstrates that species responses to habitat conversion are complex but predictable. Characterizing species‐level responses to environmental gradients represents a viable approach for forecasting the winners and losers of global change and designing interventions to minimize the ongoing restructuring of Earth's biota.