bluuebunny/crossref_metadata_2025_split huggingface dataset:
Organocatalytic Trans Semireduction of Primary and Secondary Propiolamides: Substrate Scope and Mechanistic Studies
Authors: Grams R. Justin , Lawal Monsurat M. , Szwetkowski Connor , Foster Daniel , Rosenblum Carol Ann , Slebodnick Carla , Welborn Valerie Vaissier , Santos Webster L. 
Published: September 2021

AbstractWe report a chemoselective, phosphine‐catalyzed semireduction of primary and secondary propiolamides. In the presence of stoichiometric pinacolborane and catalytic n‐tributylphosphine, a variety of propiolamides were successfully converted to the corresponding acrylamides in excellent yield with (E)‐stereoselectivity. The reaction condition is tolerant of various functional groups including alkene, alkyne, ketone, or ester. Deuterium labeling studies established that the hydride from activated pinacolborane is added to the α‐carbon and the proton on the amide nitrogen is abstracted by the ß‐carbon to furnish the (E)‐acrylamides. DFT calculations revealed a clear energetic driving force for the (E)‐ over the (Z)‐isomer.magnified image
Latino/a adolescents facing neighborhood dangers: An examination of community violence and gender‐based harassment
Authors: Mora Andrea S. , Ceballo Rosario , Cranford James A. 
Published: September 2021

AbstractWhile ample research examines community violence as a serious public health problem that disproportionately affects minority adolescents, less attention focuses on adolescents' experiences of gender‐based harassment in poor, urban neighborhoods. Using data from 416 urban, low‐income Latino/a adolescents (53% female;Mage = 15.5), this study examined (a) the relations between community violence exposure (CVE), gender‐based harassment, and posttraumatic stress disorder (PTSD) symptoms and (b) the role of parent–child cohesion as a moderator of the relations between CVE/harassment and PTSD symptoms. Whereas both CVE and gender‐based harassment were associated with greater PTSD symptoms, the effect of gender‐based harassment on PTSD symptoms was far greater than the effect of community violence. Additionally, the association between gender‐based harassment and PTSD symptoms was exacerbated when parent–child cohesion was high, compared to when cohesion was low or average. Finally, Latino/a adolescents exposed to high levels of both CVE and gender‐based harassment had worse PTSD symptoms compared to those exposed primarily to gender‐based harassment, who in turn had worse PTSD symptoms than those exposed primarily to community violence. Findings highlight the importance of including adolescents' experiences with gender‐based harassment when studying community violence.
Controllable Excitation of Surface Plasmon Polaritons in Graphene‐Based Semiconductor Quantum Dot Waveguides
Authors: Gubin Mikhail Yu. , Prokhorov Alexei V. , Volkov Valentyn S. , Evlyukhin Andrey B. 
Published: September 2021

AbstractThe research aim of this study is the development of a theoretical semiclassical model of the controllable excitation and propagation of surface plasmon polaritons (SPPs) in planar graphene waveguides by the application of external voltage. The model is based on the numerical solution of the SPP's dispersion equation formulated for a system including two coupled graphene sheets with embedded quantum dots. Using the developed model, the different near‐field patterns realized in the waveguides depending on the quantum dots' ordering and an external voltage applied independently to each graphene sheet with additional gold electrodes are numerically investigated. The obtained results show that the application of external voltage can locally change the chemical potential of graphene and, thereby, lead to controllable excitation of SPPs in the corresponding graphene waveguide. Furthermore, we revealed that the propagation direction of the excited SPPs is determined by the geometrical configurations of the gold electrodes that provide the required SPP routing. The investigated system offers new opportunities for near‐field energy transport and concentration, which can be applied to develop ultra‐compact photonic devices.
Highly Perfluorinated Covalent Triazine Frameworks Derived from a Low‐Temperature Ionothermal Approach Towards Enhanced CO2 Electroreduction
Authors: Suo Xian , Zhang Fengtao , Yang Zhenzhen , Chen Hao , Wang Tao , Wang Zongyu , Kobayashi Takeshi , Do‐Thanh Chi‐Linh , Maltsev Dmitry , Liu Zhimin , Dai Sheng 
Published: September 2021

AbstractPerfluorinated covalent triazine frameworks (F‐CTFs) have shown unique features and attractive performance in separation and catalysis. However, state‐of‐the‐art F‐CTFs synthesized via the ZnCl2‐promoted procedure have quite low fluorine contents due to C−F bond cleavage induced by chloride (a Lewis base) and the harsh conditions deployed (400–700 °C). Fabricating F‐CTFs with high fluorine contents (>30 wt %) remains challenging. Herein, we present a low‐temperature ionothermal approach (275 °C) to prepare F‐CTFs, which is achieved via polymerization of tetrafluoroterephthalonitrile (TFPN) over the Lewis superacids, e.g., zinc triflimide [Zn(NTf2)2] without side reactions. With low catalyst loading (equimolar), F‐CTFs are afforded with high fluorine content (31 wt %), surface area up to 367 m2 g−1, and micropores around 1.1 nm. The highly hydrophobic F‐CTF‐1 exhibits good capability to boost electroreduction of CO2 to CO, with faradaic efficiency of 95.7 % at −0.8 V and high current density (−141 mA cm−2) surpassing most of the metal‐free electrocatalysts.
Rapid Iron(III)−Fluoride‐Mediated Hydrogen Atom Transfer
Authors: Panda Chakadola , Doyle Lorna M. , Gericke Robert , McDonald Aidan R. 
Published: September 2021

AbstractWe anticipate high‐valent metal–fluoride species will be highly effective hydrogen atom transfer (HAT) oxidants because of the magnitude of the H−F bond (in the product) that drives HAT oxidation. We prepared a dimeric FeIII(F)−F−FeIII(F) complex (1) by reacting [FeII(NCCH3)2(TPA)](ClO4)2 (TPA=tris(2‐pyridylmethyl)amine) with difluoro(phenyl)‐λ3‐iodane (difluoroiodobenzene). 1 was a sluggish oxidant, however, it was readily activated by reaction with Lewis or Brønsted acids to yield a monomeric [FeIII(TPA)(F)(X)]+ complex (2) where X=F/OTf. 1 and 2 were characterized using NMR, EPR, UV/Vis, and FT‐IR spectroscopies and mass spectrometry. 2 was a remarkably reactive FeIII reagent for oxidative C−H activation, demonstrating reaction rates for hydrocarbon HAT comparable to the most reactive FeIII and FeIV oxidants.
Evidence to guide the optimal timing for pre‐chemotherapy blood tests for early breast, colorectal cancer and diffuse large B‐cell lymphoma
Authors: Chambers Pinkie , Wei Li , Forster Martin D. , Kipps Emma , Wong Ian C. K. , Jani Yogini 
Published: September 2021

AbstractBackgroundRe‐designing services and processes to meet growing demands in chemotherapy services is necessary with increasing treatments. There is little evidence guiding the timing and thresholds to be attained of pre‐chemotherapy blood assessments, namely neutrophils.MethodsA survey was developed and distributed to health professionals in the United Kingdom (UK) to examine current practice in timing and threshold values of neutrophils and platelets before treatment administration. This was followed by a retrospective cohort study, using data from electronic patient record systems; including patients initiating treatment between January 2013 and December 2018, to determine a safe timeframe for blood assessments; comparing neutrophil, platelet, creatinine and bilirubin levels at different time points.ResultsThe survey captured 25% of hospitals in the UK and variations were apparent in both the timing of assessments and thresholds needed, particularly for neutrophils. 616 (6.5%) of 4007 patients included had neutrophil levels measured twice within 7 days of treatment (with the first level taken beyond 3 days and the second test being within 3 days of treatment‐ the UK standard). Of the patients that attained an acceptable neutrophil level at their first test, five of the 616 (0.8%) became ineligible for administration from the test 2 level. 23% of patients improved their grade and became eligible for treatment. Little difference was observed for platelets.ConclusionsWe have demonstrated that extending the timeframe for blood tests can be safe, however, this practice may cause unnecessary delays for patients if only an early test is relied on for eligibility.
Individualism/collectivism and perceived consumer effectiveness: The moderating role of global–local identities in a post‐transitional European economy
Authors: Czarnecka Barbara , Schivinski Bruno 
Published: September 2021

AbstractWhat explains why some consumers believe their individual consumption choices impact the natural environment, social issues, and employee well‐being and others do not? This study examines the moderating role of global and local social identities on the relations between cultural values of vertical and horizontal individualism and collectivism, and perceived consumer effectiveness. Data were collected from 432 respondents in Poland. Individuals who report high values of vertical individualism and high vertical collectivism believe their individual purchase decisions impact the natural environment, social and community issues and employee welfare. It is the acceptance of responsibility for oneself (vertical individualism) and others (vertical collectivism) that explains why some people believe their consumption choices affect wider societal and environmental issues. Global identity strengthens this for vertical individualists, and local identity strengthens this for vertical collectivists. We provide evidence that the conceptual distinction between horizontal and vertical orientations of individualism and collectivism matters when explaining perceived consumer effectiveness. The study confirms that global and local social identities are meaningful variables in the context of perceived consumer effectiveness. The concept of value congruence explains the hypothesised relations only partially. The study contributes to the literature on consumer behaviour in the context of the post‐transitional economy of Poland.
From the {FeIII2Ln2} Butterfly's Perspective: the Magnetic Benefits and Challenges of Cooperativity within 3 d–4 f Based Coordination Clusters
Authors: Peng Yan , Kaemmerer Hagen , Powell Annie K. 
Published: September 2021

AbstractIn this Review we discuss the tuning handles which can be used to steer the magnetic properties of FeIII‐4 f “butterfly” compounds. The majority of presented compounds were produced in the context of project A3 “Di‐ to tetranuclear compounds incorporating highly anisotropic paramagnetic metal ions” within the SFB/TRR88 “3MET”. These contain {FeIII2Ln2} cores encapsulated in ligand shells which are easy to tune in a “test‐bed” system. We identify the following advantages and variables in such systems: (i) the complexes are structurally simple usually with one crystallographically independent FeIII and LnIII, respectively. This simplifies theory and anaylsis; (ii) choosing Fe allows 57Fe Mössbauer spectroscopy to be used as an additional technique which can give information about oxidation levels and spin states, local moments at the iron nuclei and spin‐relaxation and, more importantly, about the anisotropy not only of the studied isotope, but also of elements interacting with this isotope; (iii) isostructural analogues with all the available (i. e. not Pm) 4 f ions can be synthesised, enabling a systematic survey of the influence of the 4 f ion on the electronic structure; (iv) this cluster type is obtained by reacting [FeIII3O(O2CR)6(L)3](X) (X=anion, L=solvent such as H2O, py) with an ethanolamine‐based ligand L′ and lanthanide salts. This allows to study analogues of [FeIII2Ln2(μ3‐OH)2(L′)2(O2CR)6] using the appropriate iron trinuclear starting materials. (v) the organic main ligand can be readily functionalised, facilitating a systematic investigation of the effect of organic substituents on the ligands on the magnetic properties of the complexes. We describe and discuss 34 {MIII2Ln2} (M=Fe or in one case Al) butterfly compounds which have been reported up to 2020. The analysis of these gives perspectives for designing new SMM systems with specific electronic and magnetic signatures
Chemisches Recycling für Kunststoffe: Status und Perspektiven
Authors: Maisels Arkadi , Hiller Andreas , Simon Franz‐Georg 
Published: September 2021

AbstractDas mechanische Recycling von Kunststoffen ist seit Jahren großtechnisch etabliert, hat aber technische und ökonomische Grenzen. Durch Verfahren des chemischen Recyclings gelangt man zurück zu Monomeren oder den Rohstoffen, so dass am Ende wieder Neuware für alle Einsatzgebiete von Kunststoffen entsteht. Die Vielfalt von chemischen Recyclingverfahren ist groß. Die Kapazitäten der Anlagen sind heute noch gering und die Wirtschaftlichkeit wird stark vom Ölpreis beeinflusst. Die Rentabilitätsgrenze liegt derzeit bei einem Preis zwischen 50 und 60 US‐$ pro Barrel.
A deep neural network based toddler tracking system
Authors: Guney Hanife , Aydin Melek , Taskiran Murat , Kahraman Nihan 
Published: September 2021

SummaryWith the recent technological developments, auxiliary smart systems have started to be used in many issues that are important in people's lives. One of these issues is that parents ensure the safety of their toddlers. Toddlers tend to reach objects that may be dangerous to them at home because of their natural curiosity. For this reason, parents' inability to pay enough attention to their toddlers while doing their daily work can cause irreversible accidents. On account of all these situations, it is clear that there is a need to develop a toddler tracking system. In this article, a toddler tracking system based on deep neural network has been proposed. For experimental studies, videos in 10 different scenarios were collected from different toddlers aged between 1.5 and 4. The system includes FaceNet for face recognition and YOLOv3 for object tracking. First, desired toddler's face is recognized, and the system tracks the movements of that toddler. If the toddler gets close to dangerous objects in the house, the parents will be warned by the system. As a result of experimental studies, the system accuracy rate was increased from 80.7% to 93.3% with the changes in the previous system.
Toward accurate and intelligent detection of malware
Authors: Arfeen Asad , Khan Zunair Ahmed , Uddin Riaz , Ahsan Usama 
Published: September 2021

SummaryMalware is a constant threat to the safety of the public Internet and private networks. It also affects the security of endpoint devices. An infected endpoint device can take part in aggressive or slow distributed denial of service attacks globally. Polymorphic malware has rendered traditional signature‐based detection ineffective. Hence the efforts to identify malware have been focused on behavioral modeling to identify and classify malware. This behavioral identification paved the way for artificial intelligence (AI) in cybersecurity. AI can detect a zero‐day attack and malware, but it suffers from several false positives. This article presents an extensive analysis of traditional and AI‐based methods for malware detection and related challenges. AI is vulnerable to attacks, such as dataset poisoning and adversarial data input, which can reduce model accuracy and increase false negatives. AI has helped to improve malware detection and reduce manual work through automation of feature extraction and feature selection. It is also beneficial to create models that are less prone to malware variations and capture the malicious behavior holistically. This article explores the transition of malware detection from traditional to AI‐based techniques. Furthermore, it also explains how some conventional approaches are still relevant today in terms of detection speed.
Remote‐controlled reconfigurable hexa‐band antenna for radio frequency energy harvesting systems
Authors: Siddique Shadab Azam , Kumar H. Venkatesh , S Chethana Gosal , Mishra Brijesh , Narayaswamy Nagesh Kallollu 
Published: September 2021

SummaryIn this paper, a compact (15.5 × 32 mm2) reconfigurable microstrip antenna with hexa‐band operation for radio frequency (RF) energy harvesting applications is presented. Three PIN diodes (D3, D2, and D1) for switching action and internet of things (IoT) controlled unit for controlling the resonating frequency of the proposed antenna are used. The antenna resonates at 2.1 and 3.4 GHz (010 state), 3.3 GHz (100 state), 3.2 GHz (101 state), 3 GHz (110 state), and 2.8 GHz (111 state). The proposed antenna exhibits −10 dB simulated and measured impedance bandwidth of 150, 400, 480, 570, 370, and 400 MHz and 120, 410, 400, 470, 320, and 356 MHz in states‐010, 100, 101, 110, and 111, respectively. A maximum peak gain of 3.3 dBi and maximum bandwidth of 570 MHz at 3.2 GHz (101 state) is observed. The proposed antenna is further tested for harvested power, and maximum harvested voltage of 3.9 V, maximum harvested power of 3.013 mW, and 55.07% power conversion efficiency at 20‐dBm power source are recorded. The simulated results have been validated with experimental results.
Directivity enhancement with improved beamforming for physical layer ultra‐wideband communication by pulse shaping
Authors: Sharma Abhishek , Garg Amik , Sharma Sanjay Kumar , Sachan Vibhav Kumar , Kumar Parvin 
Published: September 2021

SummaryIn this manuscript, a methodology of pulse shape modification is used for the directivity enhancement of ultra‐wideband (UWB) beam formation, to suppress the interference due to co‐existing narrowband communications with UWB signals. We propose that the modified pulse shaping produces more direct beam patterns for the tapped delay line antenna arrangements. These direct beam patterns are obtained for the smaller values of inter‐element spacing. This reduction of inter‐element spacing can provide more space for other development and compact the size of the any UWB antenna unit.
Cilia kinases in skeletal development and homeostasis
Authors: Abraham Sara P. , Nita Alexandru , Krejci Pavel , Bosakova Michaela 
Published: September 2021

AbstractPrimary cilia are dynamic compartments that regulate multiple aspects of cellular signaling. The production, maintenance, and function of cilia involve more than 1000 genes in mammals, and their mutations disrupt the ciliary signaling which manifests in a plethora of pathological conditions—the ciliopathies. Skeletal ciliopathies are genetic disorders affecting the development and homeostasis of the skeleton, and encompass a broad spectrum of pathologies ranging from isolated polydactyly to lethal syndromic dysplasias. The recent advances in forward genetics allowed for the identification of novel regulators of skeletogenesis, and revealed a growing list of ciliary proteins that are critical for signaling pathways implicated in bone physiology. Among these, a group of protein kinases involved in cilia assembly, maintenance, signaling, and disassembly has emerged. In this review, we summarize the functions of cilia kinases in skeletal development and disease, and discuss the available and upcoming treatment options.
The first 20 weeks of pregnancy is a high‐risk period for eating disorder relapse
Authors: Sollid Charlotte , Clausen Loa , Maimburg Rikke Damkjær 
Published: September 2021

AbstractObjectiveEating disorders (ED) are associated with adverse pregnancy outcome and pregnancy is associated with both relapse and remission of ED. Knowledge is lacking on the risk of ED relapse during pregnancy and the postpartum period for women in stable remission. This study examined the occurrence of perinatal ED relapse as well as obstetric and postpartum outcome in women with at least a 6‐month ED remission before pregnancy.MethodA total of 122 women in stable remission before pregnancy were included in a prospective longitudinal study. Changes in ED symptoms based on the Eating Disorder Examination were systematically evaluated at each antenatal visit and in the postpartum period.ResultsA total of 30 (25%) women relapsed. Twenty women relapsed within the first 20 weeks of pregnancy and eight in the early weeks postpartum. Severe postpartum depression symptoms (33%) were frequent in women with ED relapse; hyperemesis gravidarum (30%) was frequently present independent of the woman's relapse status.DiscussionTo prevent relapse of ED and possible consequences, attention to relapse in women in stable remission is especially important in early pregnancy and in the postpartum period.
Genome‐wide SNP identification inFraxinuslinking genetic characteristics to tolerance ofAgrilus planipennis
Authors: Hale Cecelia E. , Jordan Mark A. , Iriarte Gloria , Broders Kirk , Storer Andrew J. , Nalam Vamsi J. , Marshall Jordan M. 
Published: September 2021

AbstractAsh (Fraxinusspp.) is one of the most widely distributed tree genera in North America. Populations of ash in the United States and Canada have been decimated by the introduced pestAgrilus planipennis(Coleoptera: Buprestidae; emerald ash borer), having negative impacts on both forest ecosystems and economic interests. The majority of trees succumb to attack byA. planipennis, but some trees have been found to be tolerant to infestation despite years of exposure. Restriction site‐associated DNA (RAD) sequencing was used to sequence ash individuals, both tolerant and susceptible toA. planipennisattack, in order to identify single nucleotide polymorphism (SNP) patterns related to tolerance and health declines. de novo SNPs were called using SAMtools and, after filtering criteria were implemented, a set of 17,807 SNPs were generated. Principal component analysis (PCA) of SNPs aligned individual trees into clusters related to geography; however, five tolerant trees clustered together despite geographic location. A subset of 32 outlier SNPs identified within this group, as well as a subset of 17 SNPs identified based on vigor rating, are potential candidates for the selection of host tolerance. Understanding the mechanisms of host tolerance through genome‐wide association has the potential to restore populations with cultivars that are able to withstandA. planipennisinfestation. This study was successful in using RAD‐sequencing in order to identify SNPs that could contribute to tolerance ofA. planipennis. This was a first step toward uncovering the genetic basis for host tolerance toA. planipennis. Future studies are needed to identify the functionality of the loci where these SNPs occur and how they may be related to tolerance ofA. planipennisattack.
Sulfoximine‐Directed Arene ortho‐Lithiation
Authors: Gais Hans‐Joachim 
Published: September 2021

AbstractSulfoximines are an interesting class of compounds, which exhibit Brønsted and Lewis basicity, nucleophilicity, C−H acidity, N−H acidity, hydrogen‐bond acceptor capability and chirality. Sulfoximines have received renewed interest in recent times, since incorporation of a sulfoximine group can provide drug candidates with favorable properties. The synthesis and N−H, α‐C−H and o‐C−H functionalization of sulfoximines are currently topics of considerable interest. This Minireview describes the sulfoximine‐directed arene ortho‐lithiation and the synthesis of ortho‐substituted S‐aryl sulfoximines. Comparison between the sulfoximine and sulfone group shows that both are equally potent directors in arene ortho‐lithiation. Double ortho‐lithiation of S‐phenyl sulfoximines affords o,o'‐dilithiosulfoximines, which undergo a stereoretentive rearrangement to o‐sulfinylanilines. S‐Phenyl sulfoximines, carrying a α‐hydrogen atom, are amendable to a selective ortho‐lithiation to give o‐lithiosulfoximines, which suffer transmetalation to the α‐lithiosulfoximines at ambient temperatures. Double lithiation of S‐phenyl N−H sulfoximines gives access to o,N‐dilithiosulfoximines, the reaction of which with biselectrophiles yields bicyclic sulfoximines.