bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational Insight into the Scope of the Staudinger Cycloaddition Reaction for the Preparation of β‐Lactams
Authors: Cassú Daniel 
Published: March 2020

AbstractThe Staudinger cycloaddition reaction represents an efficient way to readily afford β‐lactams from ketenes and imines in an asynchronous [2+2] process. Herein, a computational evaluation of the scope of the Staudinger cycloaddition reactions was undertaken by using simplified molecular models. The results pointed out that the kinetics and thermodynamics of the reaction are independent of the substituents of the imine and are essentially determined by the steric and electronic nature of the substituents of the α‐position of the ketene, being the latter the one that exerts a more dominant effect on the global feasibility of the reaction.
Polymorphism in [Ag(bpetan)]n Coordination Polymers with Nitrate and Isophthalate Anions: Photocatalytic and Antibacterial Activity, Hemolysis Assay and Study of Cytotoxicity
Authors: Kulovi Somnath , Pradhan Ananya , Maiti (Choudhury) Sujata , Puschmann Horst , Zangrando Ennio , Dalai Sudipta 
Published: March 2020

AbstractTwo Ag(I) coordination polymers (CPs), namely [Ag(bpetan)(NO3)]n (CP1) and {[Ag(bpetan)]2(iph).8H2O}n (CP2) [where bpetan=1,2‐bis(4‐pyridyl)ethane, H2iph= isophthalic acid] were synthesized and characterized using elemental analysis, IR, UV‐Vis, fluorescence spectroscopy, and single crystal X‐ray diffraction. Both the CPs crystallize in triclinic system and the crystal structures comprise [Ag(bpetan)]nn+ polymers that are linked by nitrate ions to give rise to a corrugated 2D infinite rectangular net in CP1. On the other hand, isophthalate ions in 2 do not participate in coordination and together with lattice water molecules are encapsulated between the [Ag(bpetan)]nn+ chains. A structural comparison of CP1 and CP2 was done with compounds of same stoichiometry but crystallizing in different space groups. The band gap energies of CP1 and CP2 were calculated to assess their photocatalytic activity, and the latter was found to act as a more efficient photocatalyst to degrade the methylene blue dye. In addition CP2 offers a better anti‐bacterial, cytotoxicity and hemolytic activity than CP1.
Hydro‐Assisted Self‐Regenerating BrominatedN‐Alkylated Thiophene Diketopyrrolopyrrole Dye Nanofibers—A Sustainable Synthesis Route for Renewable Air Filter Materials
Authors: Ravi Sai Kishore , Singh Varun Kumar , Suresh Lakshmi , Ku Calvin , Sanjairaj Vijayavenkataraman , Nandakumar Dilip Krishna , Chen Yun , Sun Wanxin , Sit Patrick H.‐L. , Tan Swee Ching 
Published: March 2020

AbstractWith rising global concerns over the alarming levels of particulate pollution, a sustainable air quality management is the need of the hour. Air filtration research has gained momentum in recent years. However, the research perspective is still blinkered toward formulating new fiber systems for the energy‐intensive electrospinning process to fabricate high quality factor air filters. A holistic approach on sustainable air filtration models is still lacking. The air filter model presented in this work uses a simple process involving water‐induced self‐organization and self‐regeneration of nanofibers, and an easy recycling route after the filter life that not only facilitates reuse of the microfibrous scaffold holding the nanofibers but also allows renewal of nanofibers. Three generations of air filters are fabricated and tested, all having high particulate matter (PM)‐adsorbing tendency, high filtration efficiency (>95%), and high Young's modulus (≈5 GPa). The renewable air filters offer a sustainable alternative to the present cost‐intensive electrospun air filters.
Self‐Assembly Behavior of Oppositely Charged Inverse Bipatchy Microcolloids
Authors: Naderi Mehr Fatemeh , Grigoriev Dmitry , Heaton Rebecca , Baptiste Joshua , Stace Anthony J. , Puretskiy Nikolay , Besley Elena , Böker Alexander 
Published: March 2020

AbstractA directed attractive interaction between predefined “patchy” sites on the surfaces of anisotropic microcolloids can provide them with the ability to self‐assemble in a controlled manner to build target structures of increased complexity. An important step toward the controlled formation of a desired superstructure is to identify reversible electrostatic interactions between patches which allow them to align with one another. The formation of bipatchy particles with two oppositely charged patches fabricated using sandwich microcontact printing is reported. These particles spontaneously self‐aggregate in solution, where a diversity of short and long chains of bipatchy particles with different shapes, such as branched, bent, and linear, are formed. Calculations show that chain formation is driven by a combination of attractive electrostatic interactions between oppositely charged patches and the charge‐induced polarization of interacting particles.
Implementing within‐cross genomic prediction to reduce oat breeding costs
Authors: Mellers Greg , Mackay Ian , Cowan Sandy , Griffiths Irene , Martinez‐Martin Pilar , Poland Jesse A. , Bekele Wubishet , Tinker Nicholas A. , Bentley Alison R. , Howarth Catherine J. 
Published: March 2020

AbstractA barrier to the adoption of genomic prediction in small breeding programs is the initial cost of genotyping material. Although decreasing, marker costs are usually higher than field trial costs. In this study we demonstrate the utility of stratifying a narrow‐base biparental oat population genotyped with a modest number of markers to employ genomic prediction at early and later generations. We also show that early generation genotyping data can reduce the number of lines for later phenotyping based on selections of siblings to progress. Using sets of small families selected at an early generation could enable the use of genomic prediction for adaptation to multiple target environments at an early stage in the breeding program. In addition, we demonstrate that mixed marker data can be effectively integrated to combine cheap dominant marker data (including legacy data) with more expensive but higher density codominant marker data in order to make within generation and between lineage predictions based on genotypic information. Taken together, our results indicate that small programs can test and initiate genomic predictions using sets of stratified, narrow‐base populations and incorporating low density legacy genotyping data. This can then be scaled to include higher density markers and a broadened population base.
Staying cool: The development of India's pioneering energy efficiency policy for chillers
Authors: Mukherjee P. K. , Gibbs Eric , Walia Archana , Taylor Colin 
Published: March 2020

AbstractChillers are the key energy‐consuming piece of equipment in most large space cooling systems. They can account for more than 40% of total energy consumption in any typical commercial building and in specific industrial building installations depending on the product and process. With climate change driving rapidly rising demand for commercial and industrial cooling, especially in emerging economies, energy efficiency policies for chillers are crucial to moderate future electricity demand and thereby minimize greenhouse gas emissions. However, most developing and emerging economies lack energy efficiency policies for this significant and growing cooling equipment sector. India recently announced new energy efficiency policies for chillers, projected to avoid 28 TWh of electricity consumption and 23 million tons of CO2 emissions cumulatively through 2030. This article presents a case study of the unique challenges and solutions required to design a new energy efficiency policy for chillers in India. First, the energy consumed in chiller systems is sensitive to building occupancy, load changes, seasonal variations, operation and maintenance, and climatic conditions. In order to address these sensitivities, the chiller testing standard in India factors local weather and temperature conditions into energy performance ratings to account for these sensitivities. Further, every large chiller is a customized product, therefore developing a viable policy and implementation process required collaboration with international and national experts in standardization, manufacturers, building consultants, and testing laboratories.This article is categorized under:Energy Efficiency > Economics and PolicySolar Energy: Thermal ‐‐> Climate and Environment
A short-term inhalation study to assess the reversibility of sensory irritation in human volunteers
Authors: Kleinbeck Stefan , Schäper Michael , Pacharra Marlene , Lehmann Marie Louise , Golka Klaus , Blaszkewicz Meinolf , Brüning Thomas , van Thriel Christoph 
Published: March 2020

AbstractSensory irritation is an acute adverse effect caused by chemicals that stimulate chemoreceptors of the upper respiratory tract or the mucous membranes of the outer eye. The avoidance of this end point is of uttermost importance in regulatory toxicology. In this study, repeated exposures to ethyl acrylate were analyzed to investigate possible carryover effects from day to day for different markers of sensory irritation. Thirty healthy subjects were exposed for 4 h on five subsequent days to ethyl acrylate at concentrations permitted by the German occupational exposure limit at the time of study. Ratings of eye irritation as well as eye blinking frequencies indicate the elicitation of sensory irritation. These markers of sensory irritation showed a distinct time course on every single day. However, cumulative carryover effects could not be identified across the week for any marker. The rhinological and biochemical markers could not reveal hints for more pronounced sensory irritation. Neither increased markers of neurogenic inflammation nor markers of immune response could be identified. Furthermore, the performance on neurobehavioral tests was not affected by ethyl acrylate and despite the strong odor of ethyl acrylate the participants improved their performances from day to day. While the affected physiological marker, the increased eye blinking frequency stays roughly on the same level across the week, subjective markers like perception of eye irritation decrease slightly from day to day though the temporal pattern of, i.e., eye irritation perception stays the same on each day. A hypothetical model of eye irritation time course derived from PK/PD modeling of the rabbit eye could explain the within-day time course of eye irritation ratings repeatedly found in this study more precisely.
Regulatory T cells specifically suppress conventional CD8αβ T cells in intestinal tumors of APCMin/+ mice
Authors: Szeponik Louis , Akeus Paulina , Rodin William , Raghavan Sukanya , Quiding-Järbrink Marianne 
Published: March 2020

AbstractThe presence of activated T cells in colorectal cancer tissues is a strong predictor of patient survival. Our previous studies have shown that regulatory T cells (Treg) are able to reduce T cell transendothelial migration in vitro and accumulation of effector T cells in intestinal tumors in vivo in the murine APCMin/+ model for microsatellite stable intestinal tumors. In this study, we investigated the effect of Treg depletion on the density and effector functions of different TCRαβ+ and TCRγδ+ T cell populations in intestinal tumors. We used the APCMin/+\DEREG mouse model, which harbor a diphtheria toxin receptor under the control of the FOXP3 promoter, to deplete Treg in tumor bearing mice. We found that the density of conventional TCRαβ+CD8αβ+ T cells was significantly increased in Treg-depleted tumors in comparison with Treg-proficient tumors. Furthermore, TCRαβ+CD8αβ+ T cells showed increased proliferation and activation as well as increased Granzyme B and IFN-γ production in Treg-depleted tumors. In sharp contrast, the densities and effector functions of TCRαβ+CD8αα+ T cells and TCRγδ+ T cells remained unchanged by Treg depletion. We also documented a distinct population of IL-17A+TNF+ TCRγδ+CD8− T cells in tumors, which were not affected by Treg depletion. We conclude that Treg depletion affects only conventional TCRαβ+CD8αβ+ T cells in intestinal tumors, while unconventional T cells and T cells in unaffected tissue are not altered. Immunotherapies aimed at depleting Treg from tumors may thus be a viable option for reinvigoration of conventional cytotoxic T cells with a Th1 cytokine profile.
Is the initiation of selfing linked to a hermaphrodite’s female or male reproductive function?
Authors: Kaufmann Philipp , Schärer Lukas 
Published: March 2020

Abstract
There is an ongoing debate about whether simultaneous hermaphrodites capable of selfing should prefer selfing over outcrossing or vice versa. While many theoretical models predict a transmission advantage for alleles that favour selfing, empirical studies often reveal low selfing rates. Despite these considerations, the underlying mechanisms that determine reproductive strategies in simultaneously hermaphroditic animals are poorly understood. In our study on the facultatively selfing free-living flatworm, Macrostomum hystrix, we ask whether the initiation of selfing, as inferred from the differential spatial distribution of received sperm, is linked to an individual’s female or male reproductive function. Specifically, the initiation of selfing could (i) be linked to the male function, when an individual is unable to donate sperm to others and hence donates sperm to self, or it could (ii) be linked to the female function, when an individual fails to receive sperm from others—and hence is unable to fertilize its eggs via outcrossing—thus inducing it to self-fertilize. We experimentally created a social environment that allowed focals to outcross via sperm donation, but simultaneously prevented them from receiving sperm—by pairing them with a partner lacking the male copulatory organ—so that fertilization of the focal’s eggs was restricted to selfing. Our results suggest that such focals generally do not initiate selfing, while we readily observe selfing in isolated worms. This suggests that in isolated M. hystrix, it is the male function that is linked to the initiation of selfing, likely due to a lack of opportunities for sperm donation.

Significance statement
A variety of simultaneously hermaphroditic animals are capable of reproducing via both selfing and outcrossing. While the reproductive choices of such animals can be modelled by the joint action of genetic (e.g. inbreeding depression) and ecological factors (e.g. partner availability), experimental evaluation of theoretical results is often lacking. By manipulating the social environment of focal individuals, we here provide evidence that explores the respective role that the co-occurring male and female sex functions have on the initiation of selfing in a simultaneously hermaphroditic flatworm species. Specifically, our results suggest that the initiation of selfing is linked to the worm’s male function. Insights about which function is linked to the initiation of selfing may ultimately help to better understand reproductive decisions in simultaneous hermaphrodites.
Design and realization of flexible droplet-based lab-on-a-chip devices
Authors: Fink Gerold , Hamidović Medina , Springer Andreas , Wille Robert , Haselmayr Werner 
Published: March 2020

AbstractThis article provides an overview on the emerging field of droplet-based microfluidic networks. In such networks, droplets i.e., encapsulating biochemical samples can be adaptively transported via microchannels through different operations for particular experiments. This approach is particularly promising for the next generation of lab-on-a-chip devices, which should support more complex operations and more flexibility. We give an accessible introduction to droplet-based microfluidics and describe the principles, of microfluidic switches, which are the main components in microfluidic networks. Based on these principles we present the addressing schemes for microfluidic bus networks. Since the design of microfluidic networks is a rather complex task, which requires the consideration of a huge number of physical parameters, we introduce design automation methods and simulation tools. Finally, we present a method for the precise generation of individual droplets, which enables the practical realization of microfluidic networks. Moreover, we show the latest experimental results on droplet generation and switching.
Development of a wireless accelerometer-based Intravaginal device to detect pelvic floor motion for evaluation of pelvic floor dysfunction
Authors: Bohorquez Jose , McKinney Jessica , Keyser Laura , Sutherland Robin , Pulliam Samantha J. 
Published: March 2020

AbstractUrinary incontinence (UI) is experienced by an estimated 51% of women in the U.S. and often results from impaired function or weakening of the pelvic floor muscles. Pelvic floor muscle training (PFMT) is a frontline nonsurgical treatment, yet a number of symptomatic individuals cannot accurately perform a pelvic floor muscle contraction with simple verbal or written instruction. Long-term adherence to PFMT regimens is often a barrier to resolution of symptoms. Various biofeedback tools have been utilized to aid correct pelvic floor muscle performance and adherence. One novel device, the leva® Pelvic Digital Health System, utilizes an intravaginal probe embedded with MEMS accelerometer sensors that allow real-time visualization of the shape and motion of the vagina during PFMT. Early positive results with this device prompted design of a wearable version. The purpose of this study was to design a wearable, wireless clinical research device to optimize MEMS accelerometer sensor placement to detect maximal movement during a pelvic floor muscle exercise (PFME) and to test the form factor for retention and user acceptability. The device comprised a ring designed to sit at the fornix with an extension following the length of the vagina. This paper presents design components and results from clinical testing of 10 subjects. It was determined that a ring form factor alone, similar to other vaginal rings (pessaries, estrogen rings) provided less accurate visual information about PFME performance. By contrast, we determined that a ring with an extension allowed for device retention and improved real-time detection of vaginal shape and motion during PFMT.
Avian injury quantification using the Shoreline Deposition Model and model sensitivities
Authors: Amend Meredith , Martin Nadia , Dwyer F. James , Donlan Michael , Berger Michael , Varela Veronica 
Published: March 2020

AbstractDeposition models, such as the Shoreline Deposition Model (SDM) used to quantify nearshore avian injuries resulting from the 2010 Deepwater Horizon (DWH) oil spill, were developed to improve the estimates of nearshore avian mortality resulting from the release of oil into coastal and marine environments. Unlike earlier approaches to injury quantification, such as simple counts of carcasses on the shoreline, a modeling approach allows trustees to evaluate the precision of their estimate (i.e., to develop a confidence interval) and can inform decision-making and the likely utility of additional primary data collection activities through sensitivity analyses. In this paper, we rely on published literature, actual DWH data, and a deposition model simulation to evaluate how different model inputs and assumptions can affect the accuracy and precision of model results. We find that the precision of deposition models is strongly affected by the length of time between subsequent shoreline searches, the underlying magnitude of carcass deposition, carcass persistence probabilities, and carcass detection probabilities. In addition, the accuracy of deposition model results may be affected by natural fluctuations in deposition rates. Given these findings, we recommend that natural resource trustees include an evaluation of future model uncertainty as part of their initial data collection efforts. This will allow them to deploy resources in a way that maximizes the utility of future deposition model results. We also identify several factors that do not need to be assessed immediately following a spill event, thereby potentially freeing resources for more time critical data collection efforts.
Data-Driven Classification of Coronal Hole and Streamer Belt Solar Wind
Authors: Bloch Téo , Watt Clare , Owens Mathew , McInnes Leland , Macneil Allan R. 
Published: March 2020

AbstractWe present two new solar wind origin classification schemes developed independently using unsupervised machine learning. The first scheme aims to classify solar wind into three types: coronal-hole wind, streamer-belt wind, and ‘unclassified’ which does not fit into either of the previous two categories. The second scheme independently derives three clusters from the data; the coronal-hole and streamer-belt winds, and a differing unclassified cluster. The classification schemes are created using non-evolving solar wind parameters, such as ion charge states and composition, measured during the three Ulysses fast latitude scans. The schemes are subsequently applied to the Ulysses and the Advanced Compositional Explorer (ACE) datasets. The first scheme is based on oxygen charge state ratio and proton specific entropy. The second uses these data, as well as the carbon charge state ratio, the alpha-to-proton ratio, the iron-to-oxygen ratio, and the mean iron charge state. Thus, the classification schemes are grounded in the properties of the solar source regions. Furthermore, the techniques used are selected specifically to reduce the introduction of subjective biases into the schemes. We demonstrate significant best case disparities (minimum ≈8%, maximum ≈22%) with the traditional fast and slow solar wind determined using speed thresholds. By comparing the results between the in- (ACE) and out-of-ecliptic (Ulysses) data, we find morphological differences in the structure of coronal-hole wind. Our results show how a data-driven approach to the classification of solar wind origins can yield results which differ from those obtained using other methods. As such, the results form an important part of the information required to validate how well current understanding of solar origins and the solar wind match with the data we have.