bluuebunny/crossref_metadata_2025_split huggingface dataset:
Peripherally Cyanated Subphthalocyanines as Potential n‐Type Organic Semiconductors
Authors: Zango Germán , Sakurai Tsuneaki , Urones Beatriz , Saeki Hidenori , Matsuda Wakana , Martínez‐Díaz M. Victoria , Seki Shu , Torres Tomás 
Published: April 2018

AbstractA series of peripherally dicyano‐, tricyano‐, and tetracyano‐substituted subphthalocyanines (SubPcs) have been prepared through microwave‐assisted, palladium‐mediated cyanation of iodinated precursors. The introduction of π‐accepting cyano groups in the macrocycle clearly influences its electronic and redox properties, which are dependent on the number and relative position of these substituents. Additional functionalization of the periphery of SubPcs with electron‐donating or ‐withdrawing groups allows for a further fine‐tuning of their features, leading to intensely absorbing, strongly electron‐accepting panchromatic dyes with low‐lying LUMO energy levels. Flash‐photolysis time‐resolved microwave conductivity measurements on vapor‐deposited films demonstrate that some of these novel SubPc derivatives display remarkable intrinsic charge‐carrier mobilities that are comparable to or larger than those of other known well‐performing acceptor SubPcs; thus confirming their potential as n‐type organic semiconductors for application in the fabrication of photovoltaic devices.
Circular dichroism studies of low molecular weight hydrogelators: The use of SRCD and addressing practical issues
Authors: Sitsanidis Efstratios D. , Piras Carmen C. , Alexander Bruce D. , Siligardi Giuliano , Jávorfi Tamás , Hall Andrew J. , Edwards Alison A. 
Published: April 2018

AbstractCircular dichroism (CD) spectroscopy has been used extensively for the investigation of the conformation and configuration of chiral molecules, but its use for evaluating the mode of self‐assembly in soft materials has been limited. Herein, we report a protocol for the study of such materials by electronic CD spectroscopy using commercial/benchtop instruments and synchrotron radiation (SR) using the B23 beamline available at Diamond Light Source. The use of the B23 beamtime for SRCD was advantageous because of the unique enhanced spatial resolution achieved because of its highly collimated and small beamlight cross section (ca. 250 μm) and higher photon flux in the far UV region (175‐250 nm) enhancing the signal‐to‐noise ratio relative to benchtop CD instruments. A set of low molecular weight (LMW) hydrogelators, comprising two Fmoc‐protected enantiomeric monosaccharides and one Fmoc dipeptide (Fmoc‐FF), were studied. The research focused on the optimization of sample preparation and handling, which then enabled the characterization of sample conformational homogeneity and thermal stability. CD spectroscopy, in combination with other spectroscopic techniques and microscopy, will allow a better insight into the self‐assembly of chiral building blocks into higher order structural architectures.
Hematite Photoanode with Complex Nanoarchitecture Providing Tunable Gradient Doping and Low Onset Potential for Photoelectrochemical Water Splitting
Authors: Ahn Hyo‐Jin , Goswami Anandarup , Riboni Francesca , Kment Stepan , Naldoni Alberto , Mohajernia Shiva , Zboril Radek , Schmuki Patrik 
Published: April 2018

AbstractOver the past years, α‐Fe2O3 (hematite) has re‐emerged as a promising photoanode material in photoelectrochemical (PEC) water splitting. In spite of considerable success in obtaining relatively high solar conversion efficiency, the main drawbacks hindering practical application of hematite are its intrinsically hampered charge transport and sluggish oxygen evolution reaction (OER) kinetics on the photoelectrode surface. In the present work, we report a strategy that synergistically addresses both of these critical limitations. Our approach is based on three key features that are applied simultaneously: i) a careful nanostructuring of the hematite photoanode in the form of nanorods, ii) doping of hematite by Sn4+ ions using a controlled gradient, and iii) surface decoration of hematite by a new class of layered double hydroxide (LDH) OER co‐catalysts based on Zn–Co LDH. All three interconnected forms of functionalization result in an extraordinary cathodic shift of the photocurrent onset potential by more than 300 mV and a PEC performance that reaches a photocurrent density of 2.00 mA cm−2 at 1.50 V vs. the reversible hydrogen electrode.
Facile Enzymatic Synthesis of Phosphatidylthreonine Using an Engineered Phospholipase D
Authors: Damnjanović Jasmina , Matsunaga Nozomi , Adachi Masaatsu , Nakano Hideo , Iwasaki Yugo 
Published: April 2018

Here is described the newly established method for direct enzymatic synthesis of phosphatidylthreonine (PtdThr). It is the first report on enzymatic synthesis of this rare phospholipid. It utilizes phospholipase D (PLD)‐catalyzed transphosphatidylation, in which the head group of phosphatidylcholine (PtdCho) is exchanged to L‐Threonine (L‐Thr). An attempt to catalyze the reaction between PtdCho and L‐Thr using wild‐type PLD is not successful, possibly because the secondary hydroxyl group of L‐Thr is not accessible to the enzyme. To synthesize Ptd‐L‐Thr, the natural PtdThr isomer, engineered PLD variants active toward secondary hydroxyls of inositol are screened for their ability to accept L‐Thr. Six variants are identified as positive, among which 187F/191Y/385L (FYL) shows highest activity. After optimizing the reaction parameters, Ptd‐L‐Thr content reaches approximately 30 mol%. The product is isolated by column chromatography with the overall yield of 5.2%, and its structure is confirmed by NMR. In addition, the FYL variant can also react on some stereoisomers of threonine, L‐allo‐Thr, and D‐allo‐Thr as well as L‐Thr, but not D‐Thr. Ligand docking simulation explains the enzyme's preference toward these stereoisomers; L‐, L‐allo‐, and D‐allo‐Thr can bind to the enzyme's active site in a productive orientation, whereas D‐Thr binds in a position which makes the reaction impossible to proceed.Practical Applications: The enzymatic method enables one‐step synthesis of PtdThr from PtdCho and L‐Threonine without any protection/deprotection steps, thereby being much more simple and less hazardous than the currently used chemical methods. The synthesized PtdThr can be isolated in pure form and used as a reagent for elucidation of its biological functions.A method for one‐step enzymatic synthesis of phosphatidylthreonine (PtdThr) is described. It uses the head group exchange of phosphatidylcholine (PtdCho) with Threonine(Thr) catalyzed by an engineered phospholipase D (PLD). The enzyme can accept some stereoisomers of Thr, that is, L‐Thr, L‐allo‐Thr, and D‐allo‐Thras the substrates to give the corresponding PtdThr, but notD‐Thr. Docking simulation explainsthe enzyme's preference toward thesestereoisomers; L‐, L‐allo‐, and D‐allo‐Thr can bind to the enzyme's active site in a productive orientation, whereas D‐Thrbinds in a non‐productive orientation which makes the reaction impossible to proceed.
A simple, low‐cost and robust capillary zone electrophoresis method with capacitively coupled contactless conductivity detection for the routine determination of four selected penicillins in money‐constrained laboratories
Authors: Paul Prasanta , Sänger‐van de Griend Cari , Adams Erwin , Van Schepdael Ann 
Published: April 2018

AbstractA simple and robust capillary zone electrophoresis method was developed and validated for the determination of amoxicillin and clavulanate, ampicillin, phenoxymethyl penicillin (Pen V) as well as flucloxacillin. Capacitively coupled contactless conductivity detection was employed as detection mode that makes CE a simple and economic tool for money‐constrained laboratories. The developed method is straightforward and user‐friendly. It offers good sensitivity and sufficient selectivity for the routine assay of the selected penicillins. The repeatabilities were <1.9% RSD for relative peak areas and <1% RSD for migration times for all the analytes. The method showed good linearity (R2 > 0.995) within the 80–120% range of the target concentration (0.5 mg/mL) for each antibiotic. The accuracy of the method, evaluated by standard fortification at three levels, was good for all the analytes. An extended robustness study was performed by varying ±10% of the optimum value of TRIS concentration, l‐histidine concentration and temperature in a full factorial design at two levels. This was to evaluate larger than usual variability of factors on the assay value, in order to better cover potential global variance in lab conditions and equipment. Finally, the method was applied for the determination of percent (%) content of all antibiotics in available formulations.
Agreement of Teachers on Evaluating Assessments of Learning Progressions in English Language Arts and Mathematics
Authors: van Rijn Peter , Graf Edith Aurora , Arieli‐Attali Meirav , Song Yi 
Published: April 2018

AbstractIn this study, we explored the extent to which teachers agree on the ordering and separation of levels of two different learning progressions (LPs) in English language arts (ELA) and mathematics. In a panel meeting akin to a standard‐setting procedure, we asked teachers to link the items and responses of summative educational assessments to LP levels. We evaluated four types of agreement among teachers, with test developers, and with trained raters. Although the results were quite mixed, agreement on the LP levels of mathematics items was generally better than that for ELA tasks. The agreement on the LP levels of ELA sample responses was generally better than that for mathematics. Implications of the results are discussed.
Cardiovascular Safety of the β3‐Adrenoceptor Agonist Mirabegron and the Antimuscarinic Agent Solifenacin in the SYNERGY Trial
Authors: White William B. , Chapple Christopher , Gratzke Christian , Herschorn Sender , Robinson Dudley , Frankel Jeffrey , Ridder Arwin , Stoelzel Matthias , Paireddy Asha , van Maanen Robert , Weber Michael A. 
Published: April 2018

AbstractThere have been concerns that treatment of overactive bladder with β3‐adrenoceptor agonists may potentially have detrimental cardiovascular (CV) side effects. We evaluated the CV safety of mirabegron, a β3‐adrenoceptor agonist, alone and in combination therapy with the antimuscarinic agent solifenacin. The SYNERGY trial was a multinational, multicenter, randomized, double‐blind, parallel‐group, placebo and active‐controlled phase 3 trial. Patients were randomized to receive solifenacin 5 mg + mirabegron 50 mg (combination 5 + 50 mg), solifenacin 5 mg + mirabegron 25 mg (combination 5 + 25 mg), solifenacin 5 mg monotherapy, mirabegron 25 mg monotherapy, mirabegron 50 mg monotherapy, or placebo for a 12‐week double‐blind treatment period. A total of 3398 patients were included in the study. Mean changes from baseline to the end of therapy in ECG parameters were similar across treatment groups, although there was an increase in heart rate of 1 beat/minute in the mirabegron treatment groups. There were no clinically meaningful differences in change from baseline in QTcF between monotherapies and placebo and between monotherapies and combination therapy. There were very few major CV events: 1 of 853 (0.1%) with a nonfatal myocardial infarction in the combination 5 + 25 mg group, 2 of 848 (0.2%) with a nonfatal stroke in the combination 5 + 50 mg group, and no events in the other groups. This CV safety analysis of the combination of mirabegron and solifenacin showed rates of CV events comparable with those for monotherapy treatments based on assessments of vital signs, electrocardiograms, and adjudicated CV events.
Identification of a Siglec-F+ granulocyte-macrophage progenitor
Authors: Bolden Jessica E , Lucas Erin C , Zhou Geyu , O’Sullivan Jeremy A , de Graaf Carolyn A , McKenzie Mark D , Di Rago Ladina , Baldwin Tracey M , Shortt Jake , Alexander Warren S , Bochner Bruce S , Ritchie Matthew E , Hilton Douglas J , Fairfax Kirsten A 
Published: April 2018

Abstract
In recent years multi-parameter flow cytometry has enabled identification of cells at major stages in myeloid development; from pluripotent hematopoietic stem cells, through populations with increasingly limited developmental potential (common myeloid progenitors and granulocyte-macrophage progenitors), to terminally differentiated mature cells. Myeloid progenitors are heterogeneous, and the surface markers that define transition states from progenitors to mature cells are poorly characterized. Siglec-F is a surface glycoprotein frequently used in combination with IL-5 receptor alpha (IL5Rα) for the identification of murine eosinophils. Here, we describe a CD11b+ Siglec-F+ IL5Rα− myeloid population in the bone marrow of C57BL/6 mice. The CD11b+ Siglec-F+ IL5Rα− cells are retained in eosinophil deficient PHIL mice, and are not expanded upon overexpression of IL-5, indicating that they are upstream or independent of the eosinophil lineage. We show these cells to have GMP-like developmental potential in vitro and in vivo, and to be transcriptionally distinct from the classically described GMP population. The CD11b+ Siglec-F+ IL5Rα− population expands in the bone marrow of Myb mutant mice, which is potentially due to negative transcriptional regulation of Siglec-F by Myb. Lastly, we show that the role of Siglec-F may be, at least in part, to regulate GMP viability.
Identification of a population of GMP-like cells that express Siglec-F are multi-potential and prominent in Myb-mutant mice.
Deuterium‐substituted 2‐(2′‐((dimethylamino)methyl)‐4′‐[18F](fluoropropoxy)phenylthio)benzenamine as a serotonin transporter imaging agent
Authors: Liu Futao , Zhu Lin , Choi Seok Rye , Plössl Karl , Zha Zhihao , Kung Hank F. 
Published: April 2018

Positron emission tomography imaging of serotonin transporter (SERT) is useful for studying brain diseases with altered serotonergic function. A deuterated imaging agent, ([18F]2‐((2‐((bis(methyl‐d3)amino)methyl)‐4‐(3‐fluoropropoxy‐1,1,2,2,3,3‐d6)phenyl)thio)aniline, [18F]D12FPBM, [18F]1), was prepared as a new chemical entity. The deuterated agent, 1, showed excellent binding affinity to SERT; Ki was 0.086 nM, comparable with the undeuterated FPBM. In vivo biodistribution studies in rats with [18F]1 showed good brain uptake (1.09% dose/g at 2 min post injection) and high specific uptake into the hypothalamus (HY) as compared with cerebellum (CB) (HY/CB = 7.55 at 120 min), suggesting a specific localization to SERT binding sites. Regional brain distribution in rats provided clear indication that [18F]1 concentrated in the hypothalamus, hippocampus, and striatum, areas with a high SERT density. Results indicate that very little D to H substitution effect was found; [18F]FPBM and [18F]1 showed very similar SERT binding. [18F]1 might be an excellent candidate for SERT imaging.
Preparation and evaluation of 188Re sulfide colloidal nanoparticles loaded biodegradable poly (L‐lactic acid) microspheres for radioembolization therapy
Authors: Jamre Mina , Shamsaei Mojtaba , Erfani Mostafa , Sadjadi Sodeh , Ghannadi Maragheh Mohammad 
Published: April 2018

Radioembolization with radioactive microspheres has been an effective method for the treatment of liver lesions. The aim of this study was to prepare carrier‐free 188Re loaded poly (L‐lactic acid) (PLLA) microspheres through 188Re sulfide colloidal nanoparticles (188Re‐SC nanoparticles). The formation of 188Re‐SC nanoparticles was confirmed by ultraviolet‐visible spectrophotometry. The labeling yield of 188Re‐SC nanoparticles was verified using the RTLC method. Effects of synthesis parameters on morphology and size of prepared 188Re‐sulfide colloidal‐PLLA microspheres (188Re‐SC‐PLLA microspheres) were studied by scanning electron microscopy. In vitro stability of 188Re‐SC‐PLLA microspheres was investigated in normal saline at room temperature and in human serum at 37°C. In vivo distribution studies and gamma camera imaging were performed in healthy BALB/c mice. The microspheres could be prepared with sizes between 13 and 48 μm (modal value 29 μm) and radiolabeling efficiency >99%. After incubation, the microspheres were found stable in vitro up to 72 hours. The biodistribution after intravenous injection in healthy BALB/c mice showed high accumulation in lung as a first capture pathway organ for microsphere followed by great retention over 48 hours for these microspheres. These data show that 188Re‐SC‐PLLA microspheres are suitable candidate for clinical studies.
Exosomal MicroRNAs in Milk from Mothers Delivering Preterm Infants Survive in Vitro Digestion and Are Taken Up by Human Intestinal Cells
Authors: Kahn Sarah , Liao Yalin , Du Xiaogu , Xu Wei , Li Jie , Lönnerdal Bo 
Published: April 2018

ScopeThis study investigates the ability of preterm milk exosomes to survive gastric/pancreatic digestion, internalization by intestinal epithelia, and the microRNAs (miRNAs) contents.Methods and resultsAt average infant age 1 week and 6 days, milk is collected from mothers who delivered preterm and term infants (n = 10). Milk is exposed to conditions simulating infant gut digestion. Exosomes are isolated and lysed, and the exposed miRNAs are sequenced. Preterm milk exosomes survive in vitro digestion, and can be taken up by intestinal epithelia. Three hundred and thirty miRNAs are identified as preterm milk exosome miRNAs, and in vitro digestion does not have a pronounced effect on their expression. The abundant miRNAs in preterm milk exosomes are similar to those from term milk. Twenty‐one low abundance miRNAs are specifically expressed in preterm milk exosomes compared to early term milk in the current study and what previously is found in mature term milk.ConclusionThese results for the first time reveal the survivability of preterm milk exosomes following simulated gastric/pancreatic digestion. The authors demonstrate the richness of the miRNAs content in these exosomes. The results improve the knowledge of preterm milk biology and the molecular basis by which exosome miRNAs may uniquely affect preterm infants during early development.
Block‐matching sparsity regularization‐based image reconstruction for low‐dose computed tomography
Authors: Cai Ailong , Li Lei , Zheng Zhizhong , Wang Linyuan , Yan Bin 
Published: April 2018

PurposeLow‐dose computed tomography (CT) imaging has been widely explored because it can reduce the radiation risk to human bodies. This presents challenges in improving the image quality because low radiation dose with reduced tube current and pulse duration introduces severe noise. In this study, we investigate block‐matching sparsity regularization (BMSR) and devise an optimization problem for low‐dose image reconstruction.MethodThe objective function of the program is built by combining the sparse coding of BMSR and analysis error, which is subject to physical data measurement. A practical reconstruction algorithm using hard thresholding and projection‐onto‐convex‐set for fast and stable performance is developed. An efficient scheme for the choices of regularization parameters is analyzed and designed.ResultsIn the experiments, the proposed method is compared with a conventional edge preservation method and adaptive dictionary‐based iterative reconstruction. Experiments with clinical images and real CT data indicate that the obtained results show promising capabilities in noise suppression and edge preservation compared with the competing methods.ConclusionsA block‐matching‐based reconstruction method for low‐dose CT is proposed. Improvements in image quality are verified by quantitative metrics and visual comparisons, thereby indicating the potential of the proposed method for real‐life applications.
Violence targeting children or violent society? Craniofacial injuries among the pre‐Hispanic subadult population of Gran Canaria (Canary Islands)
Authors: Velasco‐Vázquez J. , Delgado‐Darias T. , Alberto‐Barroso V. 
Published: April 2018

AbstractThe approach to Gran Canaria's pre‐Hispanic period has traditionally been dominated by a romantic and propitious view of its indigenous populations advocating a historical evolution on the margin of the conflicts and contradictions common to any society. Yet new data indicate that the ancient Canarians were subject to high rates of internal violence linked to the island's isolation and harsh biogeographical conditions, as well as marked personal differences and a strong hierarchization of the social order. However, the effects of such a degree of violence among the subadult population remain unknown. The study of the assemblage of the victims, particularly the younger members of society, requires a global analysis of the historical conditions to determine whether this violence was exceptional or habitual. The findings of this study point to a prevalence of trauma among subadults (surpassing 20%), thus bolstering the notion of a society with widespread physical violence affecting the whole population or at least that above the age of 5 or 6 years. The data also suggest widespread violence within the framework of interpersonal relationships rather than violence directed specifically against the population's younger sector.
Close but not quite: Two cases of sex chromosome aneuploidies outside the scope of cell free DNA screening
Authors: Sagaser Katelynn G. , Stevens Blair , Davis Jessica , Northrup Hope , Ramdaney Aarti 
Published: April 2018

WHAT'S ALREADY KNOWN ABOUT THIS TOPIC?

cfDNA screening reports high sensitivities and specificities for autosomal trisomies, yet challenges still exist in accurate detection of sex chromosome aneuploidies.
WHAT DOES THIS STUDY ADD?

Sex chromosome tetrasomy or pentasomy may be incorrectly reported as a sex chromosome trisomy by cfDNA screening.
Patients with abnormal cfDNA results for sex chromosome trisomies should be counseled on the possibility of sex chromosome tetrasomies or pentasomies and the differences in clinical implications and predicted prognoses with such diagnoses.
All patients with an abnormal cfDNA result for a sex chromosome aneuploidy should be offered prenatal diagnosis and postnatal testing.
Collision‐induced dissociation of [UVIO2(ClO4)]+ revisited: Production of [UVIO2(Cl)]+ and subsequent hydrolysis to create [UVIO2(OH)]+
Authors: Tatosian Irena J. , Iacovino Anna C. , Van Stipdonk Michael J. 
Published: April 2018

RationaleIn a previous study [Rapid Commun Mass Spectrom. 2004;18:3028–3034], collision‐induced dissociation (CID) of [UVIO2(ClO4)]+ appeared to be influenced by the high levels of background H2O in a quadrupole ion trap. The CID of the same species was re‐examined here with the goal of determining whether additional, previously obscured dissociation pathways would be revealed under conditions in which the level of background H2O was lower.MethodsWater‐ and methanol‐coordinated [UVIO2(ClO4)]+ precursor ions were generated by electrospray ionization. Multiple‐stage tandem mass spectrometry (MSn) for CID and ion‐molecule reaction (IMR) studies was performed using a linear ion trap mass spectrometer.ResultsUnder conditions of low background H2O, CID of [UVIO2(ClO4)]+ generates [UVIO2(Cl)]+, presumably by elimination of two O2 molecules. Using low isolation/reaction times, we found that [UVIO2(Cl)]+ will undergo an IMR with H2O to generate [UVIO2(OH)]+.ConclusionsWith lower levels of background H2O, CID experiments reveal that the intrinsic dissociation pathway for [UVIO2(ClO4)]+ leads to [UVIO2(Cl)]+, apparently by loss of two O2 molecules. We propose that the results reported in the earlier CID study reflected a two‐step process: initial formation of [UVIO2(Cl)]+ by CID, followed by a very rapid hydrolysis reaction to leave [UVIO2(OH)]+.