bluuebunny/crossref_metadata_2025 huggingface dataset:
The FDA nozzle benchmark: “In theory there is no difference between theory and practice, but in practice there is”
Authors: Bergersen Aslak W. , Mortensen Mikael , Valen‐Sendstad Kristian
Published: September 2018

The utility of flow simulations relies on the robustness of computational fluid dynamics (CFD) solvers and reproducibility of results. The aim of this study was to validate the Oasis CFD solver against in vitro experimental measurements of jet breakdown location from the FDA nozzle benchmark at Reynolds number 3500, which is in the particularly challenging transitional regime. Simulations were performed on meshes consisting of 5, 10, 17, and 28 million (M) tetrahedra, with Δt  =  10−5 seconds. The 5M and 10M simulation jets broke down in reasonable agreement with the experiments. However, the 17M and 28M simulation jets broke down further downstream. But which of our simulations are “correct”? From a theoretical point of view, they are all wrong because the jet should not break down in the absence of disturbances. The geometry is axisymmetric with no geometrical features that can generate angular velocities. A stable flow was supported by linear stability analysis. From a physical point of view, a finite amount of “noise” will always be present in experiments, which lowers transition point. To replicate noise numerically, we prescribed minor random angular velocities (approximately 0.31%), much smaller than the reported flow asymmetry (approximately 3%) and model accuracy (approximately 1%), at the inlet of the 17M simulation, which shifted the jet breakdown location closer to the measurements. Hence, the high‐resolution simulations and “noise” experiment can potentially explain discrepancies in transition between sometimes “sterile” CFD and inherently noisy “ground truth” experiments. Thus, we have shown that numerical simulations can agree with experiments, but for the wrong reasons.
Flow Cytometric Monitoring for Residual Disease in B Lymphoblastic Leukemia Post T Cell Engaging Targeted Therapies
Authors: Cherian Sindhu , Stetler‐Stevenson Maryalice
Published: September 2018

The use of targeted therapy is growing in the setting of hematopoietic neoplasms. Flow cytometry is a cornerstone of residual disease monitoring post therapy in this group of malignancies. Often, there is overlap between antigens targeted by immunotherapies and gating reagents utilized for population identification by flow cytometry. Such overlap can render a previously excellent gating reagent inadequate for disease detection. Recently, several anti–CD19 T cell–engaging immunotherapeutic agents and an anti‐CD22 immunotoxin have been FDA approved for use in B lymphoblastic leukemia (B‐LL), with an anti–CD22 T cell–engaging agent in development. In the setting of such targeted therapies, CD19 and CD22 expression may be altered, compromising the use of these reagents for identification of abnormal blasts. We describe herein a strategy for flow cytometric monitoring for residual disease in patients with B‐LL post T cell–engaging anti‐CD19 and anti‐CD22 therapies. © 2018 by John Wiley & Sons, Inc.
Marine bathymetry processing through GPGPU virtualization in high performance cloud computing
Authors: Montella Raffaele , Marcellino Livia , Galletti Ardelio , Di Luccio Diana , Kosta Sokol , Laccetti Giuliano , Giunta Giulio
Published: September 2018

Fast technology development has influenced the widespread use of low‐power devices in different scientific, environmental, and everyday life areas, giving birth to the Internet of Things. In this paper, we focus on the context of marine studies, addressing the problem of marine bathymetry data processing and analysis via pervasive and Internet‐connected sensors and low‐power distributed devices. Pervasive and Internet‐connected low‐power devices (as the components involved in the sensing and processing actions) made diverse and different “things” as a worldwide‐distributed system. Given the high complexity of the algorithms involved in these studies, which usually involve general‐purpose graphic processing unit (GPGPU) computation, it is impossible for the limited devices to perform the required calculations. To overcome these limitations, in this paper, we propose and implement a vertical application of GVirtuS, the open‐source GPGPU virtualization and remoting service, for achieving high performance geographical data interpolation in a high performance cloud computing scenario. We present an innovative implementation by comparing, in terms of performance and accuracy, the inverse distance weighting and kriging interpolation methods in their parallel implementations leveraging on CUDA‐enabled GPGPUs. We present a real‐world use case related to high‐resolution bathymetry interpolation in a crowdsource data context in the Bay of Pozzuoli, Italy.
In situ detection of CD73+ CD90+ CD105+ lineage: Mesenchymal stromal cells in human placenta and bone marrow specimens by chipcytometry
Authors: Consentius Christine , Mirenska Anja , Jurisch Anke , Reinke Simon , Scharm Markus , Zenclussen Ana Claudia , Hennig Christian , Volk Hans‐Dieter
Published: September 2018

Mesenchymal stromal cells (MSCs) support endogenous regeneration and present therefore promising opportunities for in situ tissue engineering. They can be isolated and expanded from various tissues, for example, bone marrow, adipose tissue, or placenta. The minimal consensus definition criteria of ex vivo expanded MSCs requires them to be positive for CD73, CD90, and CD105 expression, while being negative for CD34, CD45, CD14, CD19, and HLA‐DR. This study aimed to compare the in situ phenotype of MSCs with that of their culture‐expanded progeny. We report for the first time in situ detection of cells expressing this marker combination in human placenta cryosections as well as in bone marrow aspirates using multiplex‐immunohistology (Chipcytometry), a technique that allows staining of more than 100 biomarkers consecutively on the same cell. © 2018 International Society for Advancement of Cytometry
VTX‐1 Liquid Biopsy System for Fully‐Automated and Label‐Free Isolation of Circulating Tumor Cells with Automated Enumeration by BioView Platform
Authors: Sollier‐Christen Elodie , Renier Corinne , Kaplan Tal , Kfir Elad , Crouse Steve C.
Published: September 2018

Clinicians continue to rely on invasive tissue biopsies as a mean to assess a patient's disease and prescribe appropriate treatment regimens. Biopsies not only are risky and expensive but also limit the understanding of disease. Circulating tumor cells (CTCs) can be isolated from a simple blood draw and offer a promising potential to both diagnose and monitor cancer progression. The VTX‐1 Liquid Biopsy System automates the isolation of clinically relevant CTC populations, while simplifying their collection for easy analysis, ultimately expanding the clinical possibilities for CTCs. We present here the key features and performance of this automated system for isolating CTCs directly from whole blood, both with cell spiking experiments and patient samples. As a first step toward the characterization of CTCs for research applications and transfer to clinical practice, we present workflows for both molecular analyses and automated cell enumeration and biomarker quantification with the BioView imaging platform. © 2018 The Authors. Cytometry Part A published by Wiley Periodicals, Inc. on behalf of International Society for Advancement of Cytometry.
Object‐Oriented Segmentation of Cell Nuclei in Fluorescence Microscopy Images
Authors: Koyuncu Can Fahrettin , Cetin‐Atalay Rengul , Gunduz‐Demir Cigdem
Published: September 2018

Cell nucleus segmentation remains an open and challenging problem especially to segment nuclei in cell clumps. Splitting a cell clump would be straightforward if the gradients of boundary pixels in‐between the nuclei were always higher than the others. However, imperfections may exist: inhomogeneities of pixel intensities in a nucleus may cause to define spurious boundaries whereas insufficient pixel intensity differences at the border of overlapping nuclei may cause to miss some true boundary pixels. In contrast, these imperfections are typically observed at the pixel‐level, causing local changes in pixel values without changing the semantics on a large scale. In response to these issues, this article introduces a new nucleus segmentation method that relies on using gradient information not at the pixel level but at the object level. To this end, it proposes to decompose an image into smaller homogeneous subregions, define edge‐objects at four different orientations to encode the gradient information at the object level, and devise a merging algorithm, in which the edge‐objects vote for subregion pairs along their orientations and the pairs are iteratively merged if they get sufficient votes from multiple orientations. Our experiments on fluorescence microscopy images reveal that this high‐level representation and the design of a merging algorithm using edge‐objects (gradients at the object level) improve the segmentation results.
Demographic analysis of the irruptive dynamics of an introduced sika deer population
Authors: Takeshita Kazutaka , Ueno Mayumi , Takahashi Hiroshi , Ikeda Takashi , Mitsuya Ryoko , Yoshida Tsuyoshi , Igota Hiromasa , Yamamura Kohji , Yoshizawa Ryo , Kaji Koichi
Published: September 2018

Irruptions of large herbivores, with a rapid population increase to peak abundance, are widely observed. Occasionally, there is a population crash following such peaks in abundance, after which the population recovers to form another peak typically lower than the initial. There are mathematical models describing this full cycle of irruptive dynamics. The insight for further improvement of such mathematical models will be obtained from demographic analyses of irruptive dynamics incorporating density‐dependent and density‐independent resource limitations. Using a 35‐yr dataset on the irruptive dynamics of an introduced sika deer (Cervus nippon) population on Nakanoshima Island, Japan, we evaluated the factors and stages determining irruptive dynamics (phase 1: the initial irruption and population crash; phase 2: subsequent dynamics) through key‐factor/key‐stage analysis of the population structure, estimated using age‐at‐death data of naturally dead deer. We set two factors (i.e., deer density and snow accumulation) and three life stages (i.e., immature individuals, adult female, and adult male). The estimated population structure showed two population crashes and a density peak higher than the initial peak during population regrowth subsequent to the initial population crash. The most influential factor and stage for determining the population dynamics differed between phases 1 and 2. The contribution of deer density to the variability in population change was the largest in phase 1 (62.30%) and decreased to 24.10% in phase 2. The contribution of snow accumulation was small in both phase 1 (11.74%) and phase 2 (0.64%). The male stage had the largest contribution in phase 1 (39.23%), while the immature stage had the largest contribution in phase 2 (63.31%). The female stage had the smallest contribution in both phase 1 (24.19%) and phase 2 (17.67%). Population growth rate decreased, while carrying capacity increased, in phase 2 compared to phase 1. We suggest that the small contributions of density‐dependent and density‐independent resource limitations on population dynamics in phase 2 were related to the characteristics of alternative foods (fallen leaves and woody plants) that were newly utilized by deer in phase 2. We conclude that alternative resources potentially generate various irruptive dynamics, including unstable dynamics not expected in the classic paradigm.
Synthesis of 9‐Gallafluorenes via Group 12 Metal Biphenylenes
Authors: Gast Michael , Anton Julian , Linti Gerald
Published: September 2018

9‐Gallafluorenes were synthesized from 9‐zincafluorene·tmeda as an alternative to 2,2′‐biphenylenmercury and 2,2′‐dilithiobiphenyl. The zincafluorene was found to be only one possible form of a biphenylene zinc. In dependence of the synthetic conditions a dimeric zinc bridged structure resulted, too. The gallafluorenes obtained were stabilized by nitrogen donors or formed dimers in case of 9‐tert‐butoxygallafluorene. That means, all of these derivatives contained tetra coordinated gallium centers in a planar heterofluorene moiety. The phenyl‐substituted gallafluorene as a tmeda adduct as well as an intramolecularly stabilized o‐(dimethylamino)methylphenyl derivative were investigated for their luminescence properties, which were similar for both compounds and did not only show fluorescence but phosphorescence in the visible region. All new metallafluorenes have been characterized by X‐ray crystallography.
Selective Rb+ vs. K+ Guest Incorporation in Wheel‐Shaped 27‐Tungsto‐3‐Arsenate(III) Host, [M⊂{(β‐AsIIIW8O30)(WO(H2O))}3]14– (M = K, Rb)
Authors: Kandasamy Balamurugan , Sudmeier Tim , Ayass Wassim W. , Lin Zhengguo , Feng Qianyu , Bassil Bassem S. , Kortz Ulrich
Published: September 2018

The wheel‐shaped, potassium‐templated 27‐tungsto‐3‐arsenate(III) [K⊂{(β‐AsIIIW8O30)(WO(H2O))}3]14– (1) was synthesized by simple one‐pot condensation of the trilacunary [B‐α‐AsIIIW9O33]9– precursor in aqueous, acidic KCl solution. Polyanion 1 comprises three β‐{AsW8O30} units linked via three trans‐{WO(H2O)} groups, forming a cyclic assembly with a potassium ion located in the central cavity. The rubidium‐analogue [Rb⊂{(β‐AsIIIW8O30)(WO(H2O))}3]14– (2) could also be prepared, by addition of a small amount of Rb+ ions to a solution containing a large excess of K+ ions. This indicates that the rigid [{(β‐AsIIIW8O30)(WO(H2O))}3]15– (As3W27) host exhibits high selectivity for Rb+ ion guests compared to K+ ions. Polyanions 1 and 2 were characterized in the solid state by single‐crystal XRD, FT‐IR, TGA, and elemental analysis.
Synthesis of 4‐Hetarylisoxazoles from Amino Acid‐Derived Halogenoximes and Push‐Pull Enamines
Authors: Chalyk Bohdan A. , Hrebeniuk Kateryna V. , Gavrilenko Konstantin S. , Kulik Irene B. , Rozhenko Alexander B. , Volochnyuk Dmitriy M. , Liashuk Oleksandr S. , Grygorenko Oleksandr O.
Published: September 2018

An approach to 4‐hetarylisoxazole‐derived amines and other related 3,4‐disubstituted isoxazoles which relies on [3+2] cycloaddition of amino acid‐derived halogenoximes and push‐pull enamines is described. The target products are obtained at gram scale in up to 81 % overall yield. The efficiency of the method is affected by the electronic properties of the enamine component at the key step.
The Role of the Fluoro–Hydrido–Phosphorane Intermediate in Catalytic Hydrosilylation of Acetophenone: Computational Study
Authors: Kostenko Arseni , Dobrovetsky Roman
Published: September 2018

The fluorophosphonium cation [(C6F5)3PF]+ (1) is used as a catalyst in many chemical transformations including the hydrosilylation of ketones. In these reactions the fluoro–hydrido–phosphorane (C6F5)3PFH, which is formed upon a hydride abstraction by 1 from a hydrosilane, was proposed as the key intermediate. One of the most important features attributed to (C6F5)3PFH in the catalytic hydrosilylation of ketones is its ability to transfer the hydride to an electrophile. However, (C6F5)3FPH was not observed experimentally and its properties and in particular its hydride‐donating ability was not studied in detail. In this work the mode of formation of (C6F5)3FPH, its properties and its interactions with substrates in the catalytic hydrosilylation of acetophenone were investigated by density functional theory (DFT), and possible routes of this catalytic reaction were studied. Calculations show that (C6F5)3PFH can act both as a fluoride and hydride donor, and that these processes can exist in thermodynamic equilibrium. However, only the donation of the hydride results in intermediates that allow the catalytic cycle to proceed.
Cobalamin‐Catalysed Chemical Reactions: Probing the Role of the Nucleotide Loop
Authors: Karczewski Maksymilian , Ociepa Michał , Gryko Dorota
Published: September 2018

The nucleotide loop in the vitamin B12 structure affects its biological and physicochemical properties, but its role in cobalamin‐catalysed reactions still remains disputable. Herein, we show the synthesis of a series of model compounds including N‐methylcobalamin (NMICbl) in a base‐off form with the nucleotide attached. The structure‐activity relationship studies reveal that in the studied cobalamin‐catalysed reaction, the reduction step is not rate‐determining.
Covalently Linked meso‐BODIPYnyl Dithiahomoporphyrins: Synthesis and Properties
Authors: Thorat Kishor G. , Chowdhary Garima , Isar Prosenjit , Ravikanth Mangalampalli
Published: September 2018

A series of novel covalently linked meso‐BODIPYnyl dithiahomoporphyrins was synthesized by treating readily available tetrapyrrane and appropriate formyl BODIPY derivatives in the presence of catalytic amount of BF3·OEt2 in CH2Cl2 followed by oxidation using DDQ. The meso‐BODIPYnyl dithiahomoporphyrins were characterized by HR‐MS, 1D, 2D NMR and absorption spectroscopy, cyclic voltammetry and DFT studies. The spectral and electrochemical studies suggest that the BODIPY and homoporphyrin units in meso‐BODIPYnyl dithiahomoporphyrins retain their original identities. The compounds were non‐fluorescent due to intramolecular charge transfer from dithiahomoporphyrin moiety to a respective BODIPY unit in meso‐BODIPYnyl dithiahomoporphyrins. The DFT studies supported the intramolecular charge transfer between the two chromophores in meso‐BODIPYnyl dithiahomoporphyrins.
Nonplanar Porphyrins by N‐Substitution: A Neglected Pathway
Authors: Roucan Marie , Flanagan Keith J. , O'Brien John , Senge Mathias O.
Published: September 2018

N‐substitution of porphyrins has been a neglected route towards nonplanar porphyrins for the past decades. Previously, they featured in a host of potential medicinal and biochemical applications. However, tailored syntheses of N‐methylated porphyrins, improvements of synthetic methodology, or full conformational analyses were lacking since the initial studies. Here we investigated and optimized synthetic pathways to generate specific N‐methylated porphyrins exclusively and in good yields. Full characterizations of the spectroscopy and structural properties associated with the insertion of different numbers of methyl into the porphyrin core of 5,10,15,20‐tetrasubstituted A4‐ and 5,15‐disubstituted A2‐type porphyrins was carried out by using UV/Vis, NMR, and X‐ray crystallographic techniques. The latter, in conjunction with detailed normal structural decomposition analyses, identified the structural consequences of number and isomeric pattern of N‐methylation in terms of macrocycle nonplanarity and the underlying out‐of‐plane and in‐plane distortion modes.
AlCl3‐Promoted Synthesis of 2‐Mercapto Benzoheterocycles by Using Sodium Dimethyldithiocarbamate as Thiocarbonyl Surrogate
Authors: Liu Xing , Zhang Shi‐Bo , Dong Zhi‐Bing
Published: September 2018

A simple, expeditious and high‐efficiency synthetic method for the AlCl3‐mediated one‐pot preparation of 2‐mercapto benzoheterocycles (2‐mercapto benzothiazoles, benzoxazoles and benzimidazoles) is described. By the treatment of a series of S, O and N heteroatoms containing bifunctional molecules with sodium dimethyldithiocarbamate in AlCl3, the desired benzoheterocycles are obtained smoothly. The protocol can also be applied on the synthesis of a series of thiazolidine‐2‐thiones, imidazolidine‐2‐thiones. This novel synthetic approach has advantages such as ligand‐free, high efficiency, short reaction time, readily available starting materials and simple experimental procedures.
Intramolecular Hydrogen‐Bonding Modulates the Nucleophilic Reactivity of Ammonium‐Peroxycarboxylates
Authors: Mayer Robert J. , Ofial Armin R.
Published: September 2018

The ammonium‐peroxycarboxylic acid mesylates derived from γ‐aminobutyric acid, β‐alanine, and β‐piperidinopropionic acid were synthesized and characterized by spectroscopic methods and X‐ray crystallography. To study the nucleophilic reactivities of the corresponding ammonium‐ and amino‐peroxycarboxylates, the kinetics of their reactions with a series of benzhydrylium ions (Ar2CH+) were investigated in alkaline, aqueous solutions at 20 °C. Using sequential‐mixing stopped‐flow UV/Vis photometry, the rates of the reactions of the short‐lived nucleophiles with Ar2CH+ were determined and analyzed by the linear free energy relationship lg k = sN(N + E) furnishing nucleophilicity parameters (N, sN) of the peroxycarboxylates. Quantum chemical calculations indicate that the reactivity of the zwitterionic ammonium‐peroxycarboxylates is attenuated by intramolecular N–H···O hydrogen bonding.
Catalyst‐Controlled Regioselective Synthesis of α‐Amino Oxime Esters from N‐(Acyloxy)amides and 2H‐Azirines
Authors: Wu Feifei , Chen Wanzhi , Liu Miaochang , Wu Huayue
Published: September 2018

Palladium‐ and rhodium‐catalyzed selective reactions of 2H‐azirines and N‐(acyloxy)amides leading to α‐amino oxime esters were described. The regioselectivities of the reactions are catalyst‐controlled, and two different α‐amino oxime esters were selectively obtained in high yields. These reactions involved the construction of new N–O and C–N bonds, which are characterized by 100 % atom economy, good to excellent yields, and mild reaction conditions.
Improving C=N Bond Reductions with (Cyclopentadienone)iron Complexes: Scope and Limitations
Authors: Cettolin Mattia , Bai Xishan , Lübken Dennis , Gatti Marco , Facchini Sofia Vailati , Piarulli Umberto , Pignataro Luca , Gennari Cesare
Published: September 2018

Herein, we broaden the application scope of (cyclopentadienone)iron complexes 1 in C=N bond reduction. The catalytic scope of pre‐catalyst 1b, which is more active than the “Knölker complex” (1a) and other members of its family, has been expanded to the catalytic transfer hydrogenation (CTH) of a wider range of aldimines and ketimines, either pre‐isolated or generated in situ. The kinetics of 1b‐promoted CTH of ketimine S1 were assessed, showing a pseudo‐first order profile, with TOF = 6.07 h–1 at 50 % conversion. Moreover, the chiral complex 1c and its analog 1d were employed in the enantioselective reduction of ketimines and reductive amination of ketones, giving fair to good yields and moderate enantioselectivity.
Estimating the number of contending IoT devices in 5G networks: Revealing the invisible
Authors: Bouzouita Meriam , Hadjadj‐Aoul Yassine , Zangar Nawel , Rubino Gerardo
Published: September 2018

The explosive growth of connected objects is certainly one of the most important challenges facing operators' network infrastructures. Although it has been foreseen for a very long time, it is still not clear how to support such huge number of devices efficiently. Indeed, although a smarter planning of dedicated access slots would certainly limit the burden, this remains limited since some equipments react to events, which cannot be timed. Moreover, barring some IoT devices from accessing the network, using Access Class Barring–like techniques, is very efficient; nevertheless, efficiency is generally linked to precise knowledge of the number of contending devices. Although, before connection establishment, the terminals are invisible to access points, it is very difficult to estimate their number. A lower bound of backlogged devices can be determined. The average number of terminals can even be estimated with more or less precision, as this kind of problems comes to the classical “balls‐into‐bins” problem, which was extensively analyzed in the literature. However, an overestimation of this number implies underutilization of resources whereas an underestimation may lead to a congestion collapse. In this way, we propose a lightweight change to the standard to accurately reveal the state of network congestion by overloading connections' requests with the number of access attempts (number of times the device has been barred as well as the number of attempts). Using such information, we propose an accurate recursive estimator of the number of devices. The obtained results demonstrated that the proposed solution not only makes it possible to estimate the number of equipment much better than existing techniques but also allows determining precisely the number of blocked equipments.
Amine‐Substituted Diazocine Derivatives – Synthesis, Structure, and Photophysical Properties
Authors: Gregory Mark A. , Zhang Bolong , Tilley Andrew J. , Scheerlinck Tamika , White Jonathan M. , Wong Wallace W. H.
Published: September 2018

A series of amine‐substituted diazocines were synthesized in three steps from methyl 2‐aminobenzoate or methyl 3‐aminonaphtholate. The saddle‐shaped diazocine compounds showed similar interplane angle of 75° despite the different steric bulk of the amine substituents. In electrochemical experiments, these diazocines showed irreversible reduction most likely producing indolo[3,2‐b]indoles rather than forming the 10‐electron planar aromatic species. The carbazole‐substituted naphthodiazocines showed the most interesting photophysical properties with evidence of transition from the saddle‐shaped ground state to a planar excited state geometry.
Self‐Assembly Processes of Pd(II)‐ and Pt(II)‐Linked Discrete Self‐Assemblies Revealed by QASAP
Authors: Hiraoka Shuichi
Published: September 2018

Recent progress in the understanding of discrete coordination self‐assembly processes is summarized. Aiming to make the problems in the investigation of molecular self‐assembly processes clear, a novel method (QASAP: quantitative analysis of self‐assembly process) to obtain the information about all intermediates that are transiently produced during the self‐assembly in an indirect way was introduced. Through the application of QASAP to over ten kinds of Pd(II)‐ or Pt(II)‐linked discrete coordination self‐assemblies, similarities between molecular self‐assembly and protein folding, general principles underlying coordination self‐assembly, and the mechanism of homochiral self‐sorting along the self‐assembly pathway have been revealed and are discussed below.
Meeting the Challenge of Chemical Language Barriers in University Level Chemistry Education
Authors: Rees Simon , Kind Vanessa , Newton Douglas
Published: September 2018

The specific yet varied challenges chemical language presents to students learning the subject are widely recognised. However, to effectively engage a student population becoming increasingly diverse in terms of culture, language and prior knowledge chemistry educators must develop pedagogical strategies that address issues of language comprehension. In this paper we discuss the body of literature that provides evidence of the multiple challenges that the language of chemistry presents students. These include: words in a scientific context, words with dual meaning, similar words and symbolic language. The chemistry learning triplet is used to illustrate how students must use chemical language to move between the macroscopic, sub‐microscopic and symbolic levels. Combining evidence from our research and the wider literature we describe a novel model of linguistic demand in multiple dimensions that represents the challenge of chemical language. This model can be used to assess the linguistic demand of teaching resources and to focus the appropriate use of language and literacy informed pedagogical strategies.
Synthesis of (S)‐4‐C‐β‐D‐Glucosylquinochalcone: A Common Structure in the Yellow and Red Pigments of Safflower Petals
Authors: Abe Yuka , Maruyama Shiori , Abe Ayaka , Sohtome Takuo , Nozue Kazushi , Sato Shingo
Published: September 2018

(S)‐4‐C‐β‐D‐Glucopyranosylquinochalcone, which is common to all yellow and red pigments of safflower petals, was synthesized as its stable methyl ether acetate in an overall yield of 3.6% via S‐diastereoselective oxidation of 3‐C‐(per‐O‐acetyl‐β‐D‐glucopyranosyl) phloroacetophenone using bis[(trifluoroacetoxy)iodo] benzene. This synthetic route is different from the previous one, including an oxidative dearomatization of the aryl C‐glycoside.
Impact of teamwork improvement training on communication and teamwork climate in ambulatory reproductive health care
Authors: Dodge Laura E. , Nippita Siripanth , Hacker Michele R. , Intondi Evelyn M. , Ozcelik Guzey , Paul Maureen E.
Published: September 2018

Background

While team training is associated with improved hospital‐based team climate, less is known about effects in the ambulatory setting.

Study Design

In 2014 and 2015, we enrolled 20 organizations, each operating various health centers, into this ongoing study. Evaluation tools include a communication behaviors assessment (CBA) and Team Strategies and Tools to Enhance Performance and Patient Safety (TeamSTEPPS®) Teamwork Perceptions Questionnaire (T‐TPQ), which staff completes at baseline, 6 months, and 1 year, and the Patients’ Insights and Views of Teamwork (PIVOT) survey, which patients complete at baseline and 1 year. We also assessed patient satisfaction. We analyzed T‐TPQs paired at the individual level and CBAs and PIVOTs paired at the health center level. We also conducted key informant interviews with the first cohort.

Results

CBAs showed that TeamSTEPPS tools and strategies were utilized, with 50% or more of centers reporting increases in all behaviors at 1 year; key informant interviews confirmed this. T‐TPQ findings indicated that TeamSTEPPS implementation was associated with improved staff perceptions of teamwork at 6 months; lesser improvements were seen at 1 year. The PIVOT survey demonstrated significant improvements in select patient ratings of teamwork. Patient satisfaction improved at 1 year.

Conclusions

TeamSTEPPS has positive effects in the ambulatory reproductive health care environment. Improvements persisted at 1 year.
HoxB8 neutrophils replicate Fcγ receptor and integrin-induced neutrophil signaling and functions
Authors: Chu Julia Y , McCormick Barry , Mazelyte Greta , Michael Melina , Vermeren Sonja
Published: September 2018

Neutrophils are short-lived, terminally differentiated leukocytes that form an essential part of host immunity and play a key role in acute and chronic inflammation. The analysis of these important cells is hindered by the fact that neutrophils are not amenable to culture, transfection, or transduction. Conditionally HoxB8-immortalized mouse hematopoietic progenitors are suitable for in vitro differentiation of a range of myeloid cells, including neutrophils. Integrins and FcγRs are cell surface receptors, the ligation of which is required for a range of neutrophil functions that are important in health and disease. We show here that HoxB8 neutrophils express major neutrophil integrins and FcγRs. They respond to FcγR and integrin stimulation in a manner that is comparable with primary neutrophils, in terms of intracellular signaling. HoxB8 neutrophils also perform a range of FcγR/integrin-dependent neutrophil functions, including, generation of reactive oxygen species, degranulation, and chemotaxis. Our findings suggest that HoxB8 neutrophils represent a faithful experimental model system for the analysis of Fc and integrin receptor-dependent neutrophil functions.

HoxB8 neutrophils presents to be a reliable and useful system for the analysis of Fc and integrin receptor-dependent neutrophil functions.
Volumetric Apparent Diffusion Coefficient Histogram Analysis in Differentiating Intrahepatic Mass‐Forming Cholangiocarcinoma From Hepatocellular Carcinoma
Authors: Zou Xianlun , Luo Yan , Li Zhen , Hu Yao , Li Haojie , Tang Hao , Shen Yaqi , Hu Daoyu , Kamel Ihab R.
Published: September 2018

Background

Accurate differentiation between intrahepatic mass‐forming cholangiocarcinoma (IMCC) and hepatocellular carcinoma (HCC) is needed because treatment and prognosis differ significantly.

Purpose

To explore whether volumetric apparent diffusion coefficient (ADC) histogram analysis can provide additional value to dynamic enhanced MRI in differentiating IMCC from HCC.

Study Type

Retrospective.

Population

In all, 131 patients with pathologically proven IMCC (n = 33) or HCC (n = 98).

Field Strength/Sequence

3.0T MRI/conventional T1‐weighted imaging (T1WI), T2WI, and diffusion‐weighted imaging (DWI) with b value of 800 sec/mm2, dynamic enhanced MRI with gadobenate dimeglumine.

Assessment

Dynamic enhanced MR images were analyzed by two independent reviewers using a five‐point scale to determine the diagnosis. Volumetric ADC assessments were performed independently by two radiologists to obtain different histogram parameters for each lesion. Quantitative histogram parameters were compared between the IMCC group and HCC group. Diagnostic performance of dynamic enhanced MRI, volumetric ADC histogram analysis, and the combination of both were analyzed.

Statistical Tests

Intraclass correlation coefficient (ICC) analysis, independent Student's t‐test, or Mann–Whitney U‐test, receiver operator characteristic (ROC) curves analysis, and McNemar test.

Results

The sensitivity and specificity for dynamic enhanced MRI to differentiate IMCC from HCC were 82.1% and 82.6%, respectively. For all volumetric ADC histogram parameters, the 75th percentile ADC (ADC75%) had the highest AUC (0.791) in differentiating IMCC from HCC, with sensitivity and specificity of 69.7% and 77.6%, respectively. When combining dynamic enhanced MRI with ADC75%, the sensitivity and specificity were 82.1% and 91.9%, respectively. Compared to dynamic enhanced MRI alone, the specificity for combined dynamic enhanced MRI and ADC75% was significantly increased (P = 0.008).

Data Conclusion

Volumetric ADC histogram analysis provides additional value to dynamic enhanced MRI in differentiating IMCC from HCC.

Level of Evidence: 3

Technical Efficacy: Stage 2

J. Magn. Reson. Imaging 2019;49:975–983.
Application of proton transfer reaction mass spectrometry for the assessment of toluene removal in a nonthermal plasma reactor
Authors: Guo Teng , Peng Zhen , Li Xueshuang , Zhu Hui , Xu Li , Dong Junguo , Feng Jialiang , Cheng Ping , Zhou Zhen
Published: September 2018

Proton transfer reaction mass spectrometry (PTR‐MS) is a mature technique for the real‐time measurement and monitoring of volatile organic compounds in the atmosphere. In this paper, a modified quantification method for PTR‐MS was used to assess the performance of nonthermal plasma (NTP) reactor for the removal of toluene which was widely used in industrial production processes. Toluene and 11 corresponding organic by‐products were tentatively identified and quantified by a proton transfer reaction time‐of‐flight mass spectrometer. The degradation dynamics of toluene and the formation of organic by‐products were monitored in real‐time (resolution = 1 second) under “plasma off” and “plasma on” conditions. We conclude that initial concentration and gas flow rate were the key parameters in the health risk assessment of NTP for the removal of toluene. The toluene removal efficiency and CO2 selectivity decreased with increasing upstream toluene concentration or gas flow rate, whereas the health risk influence index increased with increasing upstream toluene concentration or gas flow rate. The highest removal efficiency of toluene (100%), CO2 selectivity (53.2%), and the best health risk influence index for organic by‐products (0.11) were achieved when the toluene concentration was kept at 105 ppmv and flow rate at 0.4 L/minute. The results demonstrate that PTR‐MS is a promising tool to improve the practical applications of volatile organic compound removal by NTP because it can be used to optimize the NTP working conditions by providing a precise, fast, and clear health risk assessment for organic by‐products based on their real‐time analysis.
Arbuscular mycorrhiza enhances nutrient accumulation in wheat exposed to elevated CO2 and soil salinity
Authors: Zhu Xiancan , Song Fengbin , Liu Shengqun , Liu Fulai , Li Xiangnan
Published: September 2018

Plant can establish a mutualistic symbiosis with arbuscular mycorrhizal (AM) fungi to improve plant growth and resistance to environmental stresses. The aim of this study was to evaluate the effect of AM on nutrient accumulation of wheat (Triticum aestivum L.) plants under combined elevated CO2 and soil salinity. The effects of CO2 elevation (700 ppm) and salt treatments (0, 1, and 2 g NaCl kg−1 dry soil) on the nutrient accumulation of wheat plants inoculated with AM fungus (Rhizophagus irregularis) were investigated. The AM root colonization was decreased by salt treatment and increased by elevated CO2. AM symbiosis significantly increased shoot dry weight and the accumulation of total C, N, K, Ca, Mg, and Na under elevated CO2 and salt stress. Plant dry biomass was positively correlated with total N, K, Ca, and Mg accumulation, whilst it was negatively correlated with Na accumulation. The concentrations of soluble sugar and glucose in shoots and roots of the AM plants were higher than of the non‐AM plants. It is suggested that AM enhances carbohydrate assimilation and nutrient accumulation in wheat exposed to elevated CO2 and soil salinity.
Historical charcoal additions alter water extractable, particulate and bulk soil C composition and stabilization
Authors: Abdelrahman Hamada , Hofmann Diana , Berns Anne E. , Meyer Nele , Bol Roland , Borchard Nils
Published: September 2018

The objective of this work was to investigate the chemical composition and the quantitative changes in soil organic matter (SOM) fractions in response to multiple historical inputs of charcoal that ceased > 60 years ago. The topsoil (0–5 cm) and subsoil (5–20 cm) samples of charcoal enriched soils and the unamended reference soils were assessed for C and N contents in bulk soil, particulate organic matter (POM) fractions and water extractable organic matter (WEOM). The SOM molecular characteristics were investigated in the solid phase by nuclear magnetic resonance (NMR) and in the WEOM by Fourier transform ion cyclotron resonance mass spectrometry (FT‐ICR‐MS). Formerly added charcoal additions reduced the extracted amount of WEOM and altered POM pattern: an increased proportion of C and N stored in coarse, intermediate, and fine POM relative to corresponding total C and N was found in subsoils. In contrast, C and N stored in the residual fraction (< 20 µm) decreased. NMR results revealed a higher aromaticity of SOM in charcoal enriched soils, while the FT‐ICR‐MS results indicated an increased presence of lignin‐ and tannin‐like compounds in the WEOM of these soils. Former charcoal additions enhanced soils capacity to retain and stabilize C and N. Particularly, the presence of charcoal particles elevated C and N stored in large POM fractions > 20 µm, which presumably increases soil porosity and thus the soils' capacity to retain water.
Postnatal Administration of Lactobacillus rhamnosus HN001 Ameliorates Perinatal Broad‐Spectrum Antibiotic‐Induced Reduction in Myelopoiesis and T Cell Activation in Mouse Pups
Authors: Fuglsang Eva , Krych Lukasz , Lundsager Mia Thorup , Nielsen Dennis Sandris , Frøkiær Hanne
Published: September 2018

Scope

This study addresses whether administration of Lactobacillus rhamnosus HN001 could mitigate the effects of a compromised gut microbiota on the composition of mature leukocytes and granulocyte‐macrophage progenitor cells (GMPs) in newborn mice.

Methods and results

Pregnant dams receive oral broad‐spectrum antibiotics, which dramatically decrease the gut microbial composition analyzed by 16S rRNA sequencing. Perinatal antibiotic treatment decreases the proportions of bone marrow (BM) GMPs (postnatal day (PND2): 0.5% vs 0.8%, PND4: 0.2% to 0.6%) and mature granulocytes (33% vs 24% at PND2), and spleen granulocytes (7% vs 17% at PND2) and B cells (PND2:18% vs 28%, PND4:11% vs 22%). At PND35, T helper (Th) cells (20% vs 14%) and cytotoxic T (Tc) cells (10% vs 8%) decrease in the spleen. Oral administration of L. rhamnosus HN001 to neonatal pups (PND1‐7) restores the antibiotic‐induced changes of GMPs and granulocytes in BM and spleen, and further increases splenic granulocytes in control pups. At PND35, splenic proportions of B and Th but not Tc cells are restored.

Conclusion

Postnatal administration of a single bacterial strain efficiently restores granulopoiesis and most T cell activation in neonatal mice that suffer from a perinatal antibiotic‐induced compromised gut microbiota at birth.
High precision control in PTP trajectory planning for nonlinear systems using on high‐degree polynomial and cuckoo search
Authors: Wu Huifeng , Sun Danfeng
Published: September 2018

In this paper, in order to fulfill requirements for high precision control, high‐degree polynomial and cuckoo search algorithms are used in point‐to‐point (PTP) trajectory planning for nonlinear systems. The high‐degree polynomial describes the PTP trajectory and the cuckoo search is applied to obtain the coefficients of the high‐degree polynomial with constraints. This method is verified in the hydraulic toggle mechanism. Hamilton's principle and a Lagrange multiplier help establish the dynamic and kinematic equations in the hydraulic toggle mechanism. Position accuracy and the convergence effect of different degrees of polynomials are then compared through experiment. Specifically, this paper discusses the error of the 8‐degree polynomial trajectory between the optimization and practical values and the repeated accuracy of the optimization trajectory, which verify the method's high precision control in regard to the PTP trajectory planning for nonlinear system proposed in this paper. This method could be used in any type of PTP trajectory planning for nonlinear system.
Sun exposure among teenage and young adult cancer survivors in the United Kingdom
Authors: Pugh Gemma , Hough Rachael , Hubbard Gill , Banks Elspeth , Fisher Abigail
Published: September 2018

Skin cancers are a common form of second malignant neoplasm among teenage and young adult cancer survivors (TYACS). The Children's Oncology Group specifies that TYACS should adhere to safe sun practices and be screened for skin cancer annually. Cross‐sectional self‐report data collected by our group indicate over a third of TYACS (n = 229; mean age: 19.8 years) intentionally sunbathe, with many reporting sunburn. TYACS sunbathing, sunburn, and sunbed use are similar to the general population (P > 0.05). These data suggest TYACS require intervention to limit sun exposure and improve their sun safety habits.
The Cone Evasion Walk test: Reliability and validity in acute stroke
Authors: Sjöholm Hanna , Hägg Staffan , Nyberg Lars , Rolander Bo , Kammerlind Ann‐Sofi
Published: September 2018

Objective

To estimate the reliability and validity of the Cone Evasion Walk test (CEW), a new test assessing the ability to evade obstacles, in people with acute stroke.

Methods

To estimate the reliability of the CEW, video recordings of 20 people with acute stroke performing the test were assessed by 10 physiotherapists on two occasions, resulting in a total of 400 ratings. Patients performed the CEW (n = 221), functional ambulation classification (FAC; n = 204), Timed Up and Go (TUG; n = 173), TUG cognitive (TUG‐cog; n = 139), Serial 7s attention task from the Montreal Cognitive Assessment (MoCA‐S7; n = 127), and the Star Cancellation Test (SCT; n = 151). These tests and side of lesion (n = 143) were used to examine construct validity. The predictive validity was evaluated in relation to falls during the following 6 months (n = 203).

Results

The intraclass correlation coefficients for intrarater and interrater reliability were 0.88–0.98. For validity, there were significant correlations between the CEW and FAC (rs = −0.67), TUG (rs = 0.45), MoCA‐S7 (rs = −0.36), and SCT total score (rs = −0.36). There was a significant correlation between the number of cones touched on the left side and the proportion of cancelled stars on the left (rs = −0.23) and right (rs = 0.23) side in the SCT. Among right hemisphere stroke participants (n = 79), significantly more persons hit cones on the left side (n = 25) than the right side (n = 8), whereas among those with a left hemisphere stroke (n = 64) significantly more persons hit cones on the right side (n = 11) than the left (n = 3). Cox regression showed that participants who touched four to eight cones had an increased risk of falls over time (hazard ratio 2.11, 95% CI [1.07, 4.17]) compared with those who touched none.

Conclusion

The new CEW test was reliable and valid in assessing the ability to evade obstacles while walking and to predict falls in patients with acute stroke.
Does muscle energy technique have an immediate benefit for women with pregnancy‐related pelvic girdle pain?
Authors: Ceprnja Dragana , Gupta Amitabh
Published: September 2018

Objective

Pregnancy‐related pelvic girdle pain (PPGP) is a common and debilitating condition. Muscle energy techniques (METs) are used in the management of PPGP. This study aimed to determine the immediate effectiveness of a MET in the management of pain in women with PPGP within a single session of physiotherapy.

Methods

This study was a randomized, crossover, sham‐controlled trial. Women (N = 80), M (SD), 30 (5) years of age and 29 (5) weeks of gestation with PPGP were included in the study. All participants were treated with a MET and sham transcutaneous electrical nerve stimulation in a randomized order, followed by standard physiotherapy during a single physiotherapy session. The primary outcome measures were the self‐report of pain using a visual analogue scale and function using the Timed Up and Go. The secondary outcome was the duration of single leg stance (SLS). Clinical measures were taken prior to the first intervention and immediately following each of the interventions, a total of four times.

Results

There was no statistically significant difference between scores for the visual analogue scale, Timed Up and Go, or duration of SLS between participants following the use of a MET, sham transcutaneous electrical nerve stimulation, or standard care, which was recorded after each intervention (p ≥ 0.72). There was a consistent and statistically significant (p value, mean difference) improvement in pain (p < 0.001, 2.6), function (p < 0.001, 1.0 s), and left SLS (p < 0.001, 4.4 s) and right SLS (p < 0.001, 4.7 s) from baseline compared with each time of measurement thereafter.

Conclusions

The improvements measured may have been due to a placebo effect with the knowledge that care is being provided, mechanical unloading during the session, or familiarization with the test procedures. The mechanism(s) that led to improvements in pain and function remain unknown, however, does not preclude from women with PPGP being offered physiotherapy care.
Modeling absorption spectra of molecules in solution
Authors: Zuehlsdorff Tim J. , Isborn Christine M.
Published: September 2018

The presence of solvent tunes many properties of a molecule, such as its ground and excited state geometry, dipole moment, excitation energy, and absorption spectrum. Because the energy of the system will vary depending on the solvent configuration, explicit solute–solvent interactions are key to understanding solution‐phase reactivity and spectroscopy, simulating accurate inhomogeneous broadening, and predicting absorption spectra. In this tutorial review, we give an overview of factors to consider when modeling excited states of molecules interacting with explicit solvent. We provide practical guidelines for sampling solute–solvent configurations, choosing a solvent model, performing the excited state electronic structure calculations, and computing spectral lineshapes. We also present our recent results combining the vertical excitation energies computed from an ensemble of solute–solvent configurations with the vibronic spectra obtained from a small number of frozen solvent configurations, resulting in improved simulation of absorption spectra for molecules in solution.