bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quinoline‐Dihydropyrimidin‐2(1H)‐one Hybrids: Synthesis, Biological Activity, and Mechanistic Studies
Authors: Parth  , Kaur Hardeep , Persoons Leentje , Andrei Graciela , Singh Kamaljit 
Published: February 2022

AbstractA novel class of quinoline‐dihydropyrimidin‐2(1H)‐one (DHPM) hybrids was synthesized and in vitro antiplasmodial activity was evaluated against chloroquine sensitive (D10) and chloroquine resistant (Dd2) strains of Plasmodium falciparum, the human malaria parasite. The antiplasmodial activity was compared to previously reported DHPM based molecular hybrids. Dual mode of antiplasmodial action of the most active member has been evaluated through heme binding study and in silico docking in the active site of dihydrofolate enzymes (wild‐type as well as mutant). Favourable pharmacokinetic parameters were predicted in the ADMET evaluation. The new hybrids were also tested against a number of DNA and RNA viruses. No antiviral activity was found, except for one hybrid that showed mild inhibitory activity against two strains of cytomegalovirus (AD‐169 and Davis), The most active hybrid was found to be a selective inhibitor of the growth of P. falciparum as well as a modest inhibitor of varicella zoster virus in HEL cells. Cytotoxicity of all hybrids was assessed in HEL, HeLa, Vero, MDCK, and CRFK cell cultures.
Variation of Local Structure and Reactivity of Pt/C Catalyst for Accelerated Degradation Test of Polymer Electrolyte Fuel Cell Visualized by Operando 3D CT‐XAFS Imaging
Authors: Matsui Hirosuke , Ishiguro Nozomu , Tan Yuanyuan , Maejima Naoyuki , Muramoto Yuta , Uruga Tomoya , Higashi Kotaro , Nguyen Duong‐Nguyen , Dam Hieu‐Chi , Samjeské Gabor , Tada Mizuki 
Published: February 2022

AbstractIn practical applications of polymer electrolyte fuel cells (PEFC), the wide variations of local structures and environment of electrocatalysts bring about complex reaction behaviours inside a membrane electrode assembly (MEA). The variations of local coordination structure and redox response of a Pt/C cathode catalyst in an MEA before and after a typical accelerated degradation test (ADT) were three‐dimensionally visualized by operando Pt LIII‐edge computed‐tomography X‐ray absorption fine structure (CT‐XAFS) imaging under PEFC operating conditions for the first time. The set of operando CT‐XANES and CT‐EXAFS analyses visualized changes in the local coordination structure and redox reactivity of the Pt catalyst by a typical ADT process.
Organometallic Magnesium Complex with Aggregation Induced Emission Properties: Synthesis, Characterization, and Fluorescent Fibers Applications
Authors: Song Li , Yu Junke , Fang Kuanjun , Shi Furui , Wan Wenming , Hao Longyun , Zhao Zhihui , Chen Weichao , Xia Yanzhi 
Published: February 2022

AbstractIn this work, a novel organomagnesium complex with outstanding aggregation induced emission (AIE) properties is synthesized using dibenzoylmethane (DBM) as the ligand. The structure of the complex is confirmed to be one magnesium ion coordinated to the dione groups of two DBM molecules, and the magnesium ion adopts a distorted octahedrally geometry. The obvious emission is found for Mg(DBM)2 powder and not in the solution, making this the first reported organomagnesium complex with AIE property. The properties of the complex were investigated by using UV‐vis absorption and fluorescence emission spectroscopy, cyclic voltammetry, and density functional theory calculations. Moreover, the Mg(DBM)2 solution dispersed in filter paper was is colorless, which may be made into a convenient anti‐counterfeiting and encryption tool. Mg(DBM)2/alginate fibers were prepared by wet‐spinning process and further processed into paper, which can be used in the fields of sensors, anti‐counterfeiting, and encryption. Sweat contains a wealth of chemical information that could potentially indicate the body's deeper biomolecular state. The prepared fluorescent fibers were used to detect sweat due to its non‐toxic, low‐cost efficient and fast response to analytes.
A Semi‐Serendipitous Journey towards the Commercialisation of a Catalytic Hydrocracking Process for Polymer Waste
Authors: Bobbink Felix D. , van Muyden Antoine , Lee Wei‐Tse , Dyson Paul J. 
Published: February 2022

AbstractThis Personal Account reviews the sequence of scientific discoveries that led to a catalytic plastic conversion technology that resulted in the creation of a spin‐off company called Plastogaz from the Ecole Polytechnique Fédérale de Lausanne (Switzerland). The story begins with research on the catalytic valorization of CO2, carried out by two PhD students and a master student, and the connections and steps subsequently made, ultimately leading to a plastic transformation technology. The Personal Account highlights the value of diverse research topics within a research group, the benefits of connections between chemistry and chemical engineering, that can lead to interesting synergies and atypical breakthroughs.
System‐level performance simulation analysis of non‐orthogonal multiple access technology in 5G mobile communication network
Authors: Li Chongyang , Hu Guoan , Fan Boyong 
Published: February 2022

SummaryAs the core technology of mobile communication system, multiple access technology directly determines the performance and capacity of the system. However, with the rapid growth of the number of mobile communication system users and the high rate service demand, these orthogonal multiple access technologies are limited by the spectrum efficiency and access capacity, so it is difficult to meet the future mobile communication demand. Therefore, for the fifth generation mobile communication system (5G), the research of non‐orthogonal multiple access (NOMA) technology to effectively improve the system capacity has been widely concerned. The purpose of this paper is to analyze the influence of interference and power distribution on system performance simulation based on the simulation results of two most representative NOMA technologies, sparse code division multiple access (SCMA) and NOMA. This paper firstly briefly analyzes the SCMA system model and key technologies and, on this basis, introduces the SCMA system simulation platform, including basic platform parameters and platform simulation flow chart. Furthermore, the influence of adaptive modulation coding on the performance improvement of SCMA system is analyzed by simulation. Then, based on the NOMA system model, this paper carried out the research on fairness among NOMA users. Based on Lagrange multiplier method, this paper simulates fairness under the restriction of power allocation optimization algorithm, the number of users in different area, different radius and different transmission power, the village of village fair index, the change of the frequency spectrum efficiency and energy efficiency curve, the throughput rate between 0.8 and 1.4 changes, and the conclusion that has a guiding significance for NOMA system design.
A comprehensive survey on simulators, emulators, and testbeds for VANETs
Authors: Babu Sarath , Raj Kumar P Arun 
Published: February 2022

SummaryNowadays, inter‐vehicle and intra‐vehicle communication triggers the development of safety and non‐safety applications in Vehicular Adhoc NETworks (VANET). These applications need to be evaluated before the actual implementation. The performance of these applications is generally evaluated through indispensable tools such as simulators, emulators, and testbeds. Although simulators, emulators, and testbeds are available as open‐source or proprietary for VANET applications, finding the correct tool for the experiment is intriguing and challenging from the researcher's perspective. In this paper, our focus is to provide a comprehensive survey on the existing simulators, emulators, and real time testbeds based on technical specifications, capabilities, etc. To the best of our knowledge, there is no such an exhaustive survey that exists in the literature. Further, we developed a real time low‐cost VANET testbed on our institute campus to implement the VANET related projects.
Fully cooperative and distributed focal underdetermined system solver compressive sensing recovery algorithm for wireless sensor networks
Authors: Azarnia Ghanbar , Sharifi Abbas Ali 
Published: February 2022

SummaryThe designed algorithms for wireless sensor networks (WSNs) should not impose a high computational load on sensor nodes because they are battery‐powered devices. To distribute the computations between sensors, distributed algorithms are required. On the other hand, since the sensors observe related phenomena, the acquired signals, besides the intra‐signal correlation, also have some inter‐signal correlation. When the designed algorithms are cooperative, these joint structures are used. In this study, we propose a distributed and cooperative algorithm based on the focal underdetermined system solver (FOCUSS) for compressive sensing signal reconstruction in WSNs. Unlike the other FOCUSS‐based sparse recovery algorithms, the proposed algorithm is quite distributed and implemented by one‐hop communication between the neighboring node without collaborating any fusion center (FC). In the suggested system model, the reconstructed signals from the underdetermined systems of equations are different for each sensor node. The obtained results verified that the proposed approach performs better than the existing works regarding signal reconstruction and convergence rate.
Smartphone apps for eating disorders: An overview of the marketplace and research trends
Authors: O'Leary Theodora , Torous John 
Published: February 2022

AbstractObjectiveApps purporting to assist with the management of eating disorders are proliferating; although less is known about (a) the safety or efficacy of the apps on the marketplaces and (b) if the research evidence supports dissemination of these apps. In this research forum, we seek to synthesize the current data and provide practical considerations around the use and research of these apps.MethodsA search of the iOS and Google Play stores was conducted in June 2021 to identify publicly available apps targeting eating disorders. A PubMed search was also conducted in June 2021 to identify relevant publications around smartphone apps for eating disorders.ResultsSixty‐five apps that support the treatment of eating disorders were identified and coded across 105 data points on the publicly available mindApps.org website. The literature search revealed 13 articles. Seven percent of marketplaces apps offered any research support and the 13 published studies focused on only four apps.DiscussionThere is a need for more translational research on smartphone apps for eating disorders. Current marketplace offerings present risks that may not be balanced by their limited evidence. Research efforts should focus on offering evidenced‐based apps for the marketplace. Clinicians should weigh known and emerging risks and benefits of these apps within the context of research gaps when making decisions around use.
Both landscape and local factors influence plant and hexapod communities of industrial water‐abstraction sites
Authors: Thierry Chloé , Pisanu Benoît , Machon Nathalie 
Published: February 2022

Abstract

At the landscape level, intensification of agriculture, fragmentation, and destruction of natural habitats are major causes of biodiversity loss that can be mitigated at small spatial scales. However, the complex relationships between human activities, landscapes, and biodiversity are poorly known. Yet, this knowledge could help private stakeholders managing seminatural areas to play a positive role in biodiversity conservation.

We investigated how water‐abstraction sites could sustain species diversity in vascular‐plant communities and two taxonomic groups of insect communities in a fragmented agricultural landscape.

Landscape‐scale variables (connectivity indices and surrounding levels of herbicide use), as well as site‐specific variables (soil type for vascular plants, floral availability for Rhopalocera, and low herbaceous cover for Orthoptera), were correlated to structural and functional metrics of species community diversity for these taxonomic groups, measured on 35 industrial sites in the Ile‐de‐France region in 2018–2019.

Rhopalocera and Orthoptera consisted essentially of species with a high degree of dispersal and low specialization, able to reach the habitat patches of the fragmented landscape of the study area. Sandy soil harbored more diverse vascular‐plant communities. Plant diversity was correlated to a greater abundance of Rhopalocera and a lower richness of Orthoptera.

Increasing landscape connectivity was related to higher abundance of plants and Rhopalocera, and a higher evenness index for Orthoptera communities. Higher levels of herbicide use were related to a decrease in the biodiversity of plants and Rhopalocera abundance. High levels of herbicide favored high‐dispersal generalist plants, while high levels of connectivity favored low‐dispersal plants. Specialist Orthoptera species were associated with low herbaceous cover and connectivity.

Water‐abstraction sites are valuable seminatural habitats for biodiversity. Changing intensive agricultural practices in surrounding areas would better contribute to conserving and restoring biodiversity on these sites.
Influence of plant reproductive systems on the evolution of hummingbird pollination
Authors: Abrahamczyk Stefan , Weigend Maximilian , Becker Katrin , Dannenberg Lea Sophie , Eberz Judith , Atella‐Hödtke Nayara , Steudel Bastian 
Published: February 2022

AbstractMany hummingbird‐pollinated plant species evolved from bee‐pollinated ancestors independently in many different habitats in North and South America. The mechanisms leading to these transitions are not completely understood. We conducted pollination and germination experiments and analyzed additional reproductive traits in three sister species pairs of which one species is bee‐ and the other hummingbird‐pollinated. All hummingbird‐pollinated species showed higher seed set and germination rates in cross‐pollinated than in self‐pollinated flowers. In the self‐compatible, bee‐pollinated sister species this difference did not exist. As expected, seed set and germination rate were higher after cross‐pollination in the largely self‐incompatible genus Penstemon independently of the pollination syndrome. However, the bird‐pollinated species produce only half of the amount of ovules and pollen grains per flower compared to the bee‐pollinated sister species. This indicates that hummingbird pollination is much more efficient in self‐incompatible populations because hummingbirds waste less pollen and provide higher outcrossing rates. Therefore, hummingbird pollination is less resource costly. Overall, we suggest that hummingbirds may increase the reproductive success compared to bees, influencing the evolution of hummingbird pollination in ecosystems with diverse bee assemblages.
Short‐term thermal acclimation modulates predator functional response
Authors: Sentis Arnaud , Veselý Lukas , Let Marek , Musil Martin , Malinovska Viktoriia , Kouba Antonín 
Published: February 2022

AbstractPhenotypic plastic responses to temperature can modulate the kinetic effects of temperature on biological rates and traits and thus play an important role for species adaptation to climate change. However, there is little information on how these plastic responses to temperature can influence trophic interactions. Here, we conducted an experiment using marbled crayfish and their water louse prey to investigate how short‐term thermal acclimation at two temperatures (16 and 24°C) modulates the predator functional response. We found that both functional response parameters (search rate and handling time) differed between the two experimental temperatures. However, the sign and magnitudes of these differences strongly depended on acclimation time. Acclimation to 16°C increased handling time and search rate whereas acclimation to 24°C leads to the opposite effects with shorter handling time and lower search rate for acclimated predators. Moreover, the strength of these effects increased with acclimation time so that the differences in search rate and handing time between the two temperatures were reversed between the treatment without acclimation and after 24 h of acclimation. Overall, we found that the magnitude of the acclimation effects can be as strong as the direct kinetic effects of temperature. Our study highlights the importance of taking into account short‐term thermal plasticity to improve our understanding of the potential consequences of global warming on species interactions.
Annelated Pyridine Bases for the Selective Acylation of 1,2‐Diols
Authors: Mayr Stefanie , Zipse Hendrik 
Published: February 2022

AbstractA set of 24 annelated derivatives of 4‐diaminopyridine (DMAP) has been synthesized and tested with respect to its catalytic potential in the regioselective acylation of 1,2‐diol substrates. The Lewis basicities of the catalysts as quantified through quantum chemical calculations vary due to inductive substituent effects and intramolecular stacking interactions between side chain π‐systems and the pyridinium core ring system. The primary over secondary hydroxyl group selectivities in catalytic acylations of 1,2‐diol substrates depend on the size and the steric demand of the Lewis base and the anhydride reagent.
Electrochemical Detection of Nitrite Using an Asymmetrically Substituted Cobalt Phthalocyanine Conjugated to Metal Tungstate Nanoparticles
Authors: Ndebele Nobuhle , Mgidlana Sithi , Nyokong Tebello 
Published: February 2022

AbstractThis paper explores the synthesis and characterisation of an asymmetrical Co phthalocyanine (CoPc), and its covalent linking to two tungsten nanoparticles: bismuth tungsten oxide (Bi2WO6) and nickel tungsten oxide (NiWO4). The nanoparticles were also mixed with the CoPc. The CoPc, nanoparticles and their respective conjugates were used as electrocatalysts in the electrochemical detection of nitrite. The electrocatalysts studied in this work had sensitivities ranging from 3–133 μA/mM while the limits of detection (LoDs) ranged between 0.063 μM and 1.7 μM. Bi2WO6 and its conjugate exhibited better LoD than corresponding NiWO4 and conjugate.
Geomechanische Auswirkungen saisonaler Wärmespeicherung in stillgelegten Bergwerken
Authors: Bücken Daniel , Meier Tobias , Backers Tobias 
Published: February 2022

AbstractFor the transition to sustainable heat sources, storage infrastructure is required to provide heat evenly throughout the year. Solar heat is typically produced in the summer and can be stored in underground heat reservoirs for the winter. Flooded coal mines, e.g., are potential heat reservoirs. To assess whether the geomechanical integrity of a colliery and the surrounding rock mass are affected by seasonally stored heat, a numerical case study was performed at ”Zeche Dannenbaum“ in the Ruhr valley, Germany. During summer, hot water was injected into level 8 of the colliery while cold water was produced from level 4. This process was reversed in winter. Detailed subsurface models of the colliery, rock mass and tectonic faults were used to numerically simulate the cyclical changes in pore pressure and temperature and the resulting stress changes. The displacement of the land surface, and geomechanically critical regions in the rock mass were derived. Moreover, the reactivation potential of the fault zones and the risk of induced seismicity were evaluated. The high injection temperatures induce strong thermoelastic effects, which could potentially lead to fault reactivation and induced seismicity. Surface displacements, however, are negligeable.
Circularly Polarized Luminescence of [6]Helicenes through Excited‐State Intramolecular Proton Transfer
Authors: Göbel Dominik , Míguez‐Lago Sandra , Ruedas‐Rama Maria Jose , Orte Angel , Campaña Araceli G. , Juríček Michal 
Published: February 2022

AbstractWe present the concept of combining circularly polarized luminescence (CPL) and excited‐state intramolecular proton transfer (ESIPT) features into a single molecule as a strategy to generate high‐performance ESIPT‐based CPL materials. For this purpose, a [6]helicene bearing two ESIPT structural units was synthesized using a double Suzuki–Miyaura reaction and a double C(sp2)−H hydroxylation approach. The photophysical properties of the doubly hydroxylated [6]helicene were studied in parallel with a non‐hydroxylated [6]helicene control compound, revealing that the presence of a chiral [6]helicene unit results in a strong CPL response and the presence of the ESIPT units in a considerable red shift. The red‐shifted emission along with the outstanding glum (≈10−2) and a large Stokes shift makes the doubly hydroxylated [6]helicene a promising candidate for use in optoelectronics.
Dimensions of women empowerment on access to antenatal care in Uganda: A further analysis of the Uganda demographic health survey 2016
Authors: Sserwanja Quraish , Nabbuye Rehemah , Kawuki Joseph 
Published: February 2022

AbstractBackgroundWomen empowerment has been viewed as a good strategy in the reduction of global maternal morbidity and mortality. Most of the recent studies in Uganda have focussed on antenatal care (ANC) frequency and the associated factors with no focus on the effect of women empowerment. Our study aims at examining the prevalence of optimal access to ANC by considering the timing of initiation, type of ANC provider and ANC frequency and their association with women empowerment.MethodsWe used Uganda Demographic and Health Survey 2016 data of 9957 women aged 15–49 years. Multistage stratified sampling was used to select study participants and we conducted multivariable logistic regression to establish the association between women empowerment and access to ANC using Statistical package for the social sciences version 25.ResultsOut of 9957 women, 2953 (29.7%: 95% CI: 28.5.0–30.2) had initiated ANC in first trimester, 6080 (61.1%: 95% CI: 60.4–62.3) had 4 or more ANC contacts, and 9880 (99.2%: 95% CI: 99.0–99.3) had received ANC from a skilled provider. Overall, 2399 (24.1%: 95% CI: 23.0–24.6) had optimal access to ANC. Economic empowerment and exposure to media were the only women empowerment indices that were positively associated with optimal access to ANC. Other factors that were significant include; region, wealth index, age, level of education and working status.ConclusionTo ensure increased access to ANC, policy‐makers and other stakeholders should prioritise the use of mass media in maternal health programs, equitable allocation of the limited financial resources with a focus on older, poor and uneducated women.