bluuebunny/crossref_metadata_2025_split huggingface dataset:
A new insight into subinteractomes of functional antagonists: Thromboxane (CYP5A1) and prostacyclin (CYP8A1) synthases
Authors: Ershov Pavel V. , Yablokov Evgeniy , Zgoda Victor , Mezentsev Yuri , Gnedenko Oksana , Kaluzhskiy Leonid , Svirid Andrey , Gilep Andrei , Usanov Sergey A. , Ivanov Alexis 
Published: February 2021

AbstractThe current article aims to summarize all possible spectrum of protein–protein interactions for thromboxane A synthase (CYP5A1) and prostacyclin synthase (CYP8A1). These enzymes metabolize the same substrate (prostaglandin H2) and can participate in cardiovascular, inflammatory, immune processes, and apoptosis modulation, as well as significantly influence the risk of cancers. Binary protein–protein and multiprotein complexes are of great importance in enzyme‐regulating and signal‐transduction pathways. However, protein partners of CYP5A1 and CYP8A1 are not yet fully identified, although both synthases are considered as prospective drug targets. At least 36 novel protein partners of CYP5A1 and CYP8A1 were revealed from different tissue types using an approach based on affinity isolation and mass spectrometry. Enrichment analysis showed that these proteins have different molecular functions: folding (refolding), unfolded protein and chaperon binding, protein transport (export/import), posttranslational modification, protein domain‐specific binding, antioxidant activity, and glutathione homeostasis. A significant part of them, belonging to molecular chaperones, were common partners for CYP5A1 and CYP8A1, while other proteins were unique with the tissue‐dependent distribution. New aspects of CYP5A1 and CYP8A1 interactomics and hetero‐complex formation with different protein partners, including cytochrome P450s are discussed.
Plaster pipes and crystalized graphite: Open transventricular transcatheter aortic valve replacement for failed mechanical aortic valve prostheses in the porcelain aorta
Authors: Yong Matthew S. , Camuglia Anthony C. , Cox Stephen V. , Cole Christopher M. 
Published: February 2021

AbstractPatients with a true porcelain aorta and a failed mechanical aortic valve prosthesis have limited treatment options. Using a hybrid of an open trans‐ventricular approach with peripheral cardiopulmonary bypass and integration of transcatheter techniques this challenge can be overcome. Trans‐ventricular mechanical valve extraction (with transcatheter endovascular occlusion and cardioplegia) followed by direct ante‐grade transcatheter heart valve implantation offers a potential solution to this conundrum. The procedure described is a novel technique that allows for the effective treatment of patients with failed mechanical surgical aortic valve prostheses in the setting of an inoperable porcelain aorta. In addition, a collaborative integrated multi‐disciplinary heart team environment is required for the management of these complex patients.
Characteristics and outcomes of surgically ineligible patients with multivessel disease treated with percutaneous coronary intervention
Authors: Shields Mary C. , Ouellette Michelle , Kiefer Nicholas , Kohan Luke , Taylor Angela M. , Ailawadi Gorav , Ragosta Michael 
Published: February 2021

AbstractObjectivesIn this study we evaluated the clinical characteristics and outcomes of surgically ineligible patients with coronary artery disease (CAD) who underwent multivessel percutaneous coronary intervention (PCI).BackgroundPatients with multivessel CAD who are surgically ineligible and undergo PCI are not well represented in large trials.MethodsOut of 1,061 consecutive patients who underwent a non‐emergent PCI for unprotected left main or multivessel CAD at the University of Virginia Medical Center, 137 patients were determined to be surgically ineligible for coronary artery bypass graft (CABG) surgery by a heart team. The clinical characteristics and reasons for surgical ineligibility were collected. The coronary angiograms were reviewed and the SYNTAX score calculated. The Society of Thoracic Surgeons (STS) score was calculated. Outcomes were determined at 30 days and 1‐year.ResultsThe mean age of the cohort was 71 and 59% were women. Hypertension, hyperlipidemia, tobacco abuse, and diabetes were common comorbidities. The average SYNTAX score was 22. The most commonly cited reasons for surgical ineligibility were advanced age, frailty, severe lung disease, ejection fraction ≤ 30% and STS score ≥ 8%. Outcomes at 30 days were excellent and better than those predicted by STS for surgery. Frailty and STS score predicted one‐year outcomes.ConclusionsPatients undergoing PCI for multivessel disease who are surgically ineligible have multiple risk factors and comorbidities. Frailty, lung disease, poor left ventricular function, and high STS score represent common reasons for surgical ineligibility. Frailty and the STS score better predict one‐year outcomes after PCI compared to the SYNTAX score.
Electrochromic Polymer Ink Derived from a Sidechain‐Modified EDOT for Electrochromic Devices with Colorless Bright State
Authors: Macher Sven , Sassi Mauro , Beverina Luca , Posset Uwe , Schott Marco , Giffin Guinevere A. , Löbmann Peer 
Published: February 2021

AbstractPrintable organic electrochromic materials are the key component of flexible low power and low weight displays and dynamic shading systems. A vast number of more or less well‐performing materials is reported in the literature, but only a very limited number of them have been tested in an industrially‐relevant environment so far. Upscaling requires simplicity of synthesis, overall sustainability, low cost and compatibility with simple and high throughput wet‐chemical deposition techniques, such as slot‐die coating or inkjet printing. In the present paper, an original process is described that enables the controlled oxidative polymerization of a water insoluble, functionalized 3,4‐ethylene dioxythiophene (EDOT) derivative. This process leads to the formation of an ink that consists solely of active polymeric material (no dispersing agents) and has suitable rheological properties for use in roll‐to‐roll slot‐die coating or ink‐jet printing. The straightforward deposition, followed by a simple thermal treatment, directly yields stable and homogeneous thin films with state‐of‐the‐art electrochromic performance.
A granular fertilizer carrier impregnated with metsulfuron injures centipedegrass when applied at excessive rates
Authors: Gonçalves Clebson G. , McElroy J. Scott , Brown Austin M. , McCullough Patrick E. , Leon Ramon Gonzalez , McCarty Lambert B. 
Published: February 2021

AbstractTo understand the observed injury, the objectives of this research were (a) to correlate combination of nitrogen fertilization and metsulfuron [methyl 2‐(4‐methoxy‐6‐methyl‐1,3,5‐triazine‐ 2‐ylcarbamoylsulfamoyl) benzoate] with excessive injury to centipedegrass [Eremochloa ophiuroides (Munro) Hack.] and (b) to determine how simultaneous high nitrogen fertilizer and the resulting increased metsulfuron rates exacerbated the observed injury. Field research was conducted at Auburn University, Clemson University, University of Florida, the University of Georgia, and H&H Sod Company in St. Cloud, FL, in 2015. Treatments included: a nontreated control, fertilizer alone (32–0–10 N–P–K and 32–0–9 N–P–K), metsulfuron (60% water‐dispersible granules), metsulfuron on an inert carrier, metsulfuron on fertilizer (32–0–9 N–P–K), and atrazine (2‐chloro‐4‐ethylamino‐6‐isopropylamino1,3,5‐triazine) on fertilizer (29–0–10 N–P–K) applied at rates ranging from one to eight times the labeled rate. Metsulfuron on fertilizer induced more injury as the rate increased than any other treatment across all locations. The highest rates of metsulfuron on fertilizer (348.5 lb N acre–1 plus 0.24 lb metsulfuron acre–1) reduced centipedegrass ground cover by 79 and 81% at 28 and 42 d after treatment, respectively. From these data, we conclude that metsulfuron applied on a granular fertilizer carrier can induce greater injury than metsulfuron on an inert granular carrier.
Additive‐free Aqueous Dispersions of Two‐Dimensional Materials with Glial Cell Compatibility and Enzymatic Degradability
Authors: Lobo Kenneth , Sahoo Priyabrata , Kurapati Rajendra , Krishna K. Vijaya , Patil Vaibhav , Pandit Abhay , Matte H. S. S. Ramakrishna 
Published: February 2021

AbstractWater‐dispersible two‐dimensional (2D) materials are desirable for diverse applications. Aqueous dispersions make processing safer and greener and enable evaluation of these materials on biological and environmental fronts. To evaluate the effects of 2D materials with biological systems, obtaining dispersions without additives is critical and has been a challenge. Herein, a method was developed for obtaining additive‐free aqueous dispersions of 2D materials like transition metal dichalcogenides and hexagonal boron nitride (h‐BN). The nanosheet dispersions were investigated through spectroscopic and microscopic methods, along with the role of size on stability. The aqueous media enabled investigations on cytocompatibility and enzymatic degradation of molybdenum disulphide (MoS2) and h‐BN. Cytocompatibility with mixed glial cells was observed up to concentrations of 100 μg mL−1, suggesting their plausible usage in bioelectronics. Besides, biodegradation using human myeloperoxidase (hMPO) mediated catalysis was investigated through Raman spectroscopy and electron microscopy. The findings suggested that additive‐free 2H‐MoS2 and h‐BN were degradable by hMPO, with 2H‐phase exhibiting better resistance to degradation than the 1T‐phase, while h‐BN exhibited slower degradation. The findings pave a path for incorporating 2D materials in the burgeoning field of transient bioelectronics.
Naphthalenediimides with High Fluorescence Quantum Yield: Bright‐Red, Stable, and Responsive Fluorescent Dyes
Authors: Keshri Sudhir Kumar , Mandal Kalyanashis , Kumar Yogendra , Yadav Devendra , Mukhopadhyay Pritam 
Published: February 2021

AbstractThe naphthalenediimide (NDI) scaffold in contrast to its higher congeners possess low‐fluorescence. In spite of elegant synthetic developments, a highly emissive NDI is quite rare to find, as well as, a green‐light‐emitting NDI is yet to be explored. Herein, we report a novel class of symmetric and asymmetric NH2‐substituted core‐NDIs (1–5) with tunable fluorescence in the visible region and extending to the NIR frontier. Importantly, the bis‐NH2‐substituted NDI 2 revealed quantum yield,
of ≈81 and ≈68 % in toluene and DMSO, respectively, suggesting versatility of the fluorophore in a wide range of solvent polarity. The dye 1 is shown to be the first NDI‐based green‐light emitter. The donor piperidine group in 5 diminish the
by 40‐fold providing a lever to modulate the excited‐state intramolecular proton transfer (ESIPT) process. Our synthetic protocol applies a Pd catalyst and a benign hydride source simplifying the non‐trivial −NH2 group integration at the NDI‐core. TD‐DFT calculations predicted strong intramolecular hydrogen bonds in the excited state in the bulk nonpolar medium and responsiveness to solvent polarity. The maximization of the NDI emission outlined here would further boost the burgeoning repertoire of applications of the NDI scaffold.
(Trifluoromethylselenyl)methylchalcogenyl as Emerging Fluorinated Groups: Synthesis under Photoredox Catalysis and Determination of the Lipophilicity
Authors: Grollier Kevin , De Zordo‐Banliat Arnaud , Bourdreux Flavien , Pegot Bruce , Dagousset Guillaume , Magnier Emmanuel , Billard Thierry 
Published: February 2021

AbstractThe synthesis of molecules bearing (trifluoromethylselenyl)methylchalcogenyl groups is described via an efficient two‐step strategy based on a metal‐free photoredox catalyzed decarboxylative trifluoromethylselenolation with good yields up to 88 %, which raised to 98 % in flow chemistry conditions. The flow methods allowed also to scale up the reaction. The mechanism of this key reaction was studied. The physicochemical characterization of these emerging groups was performed by determining their Hansch–Leo lipophilicity parameters with high values up to 2.24. This reaction was also extended to perfluoroalkylselenolation with yields up to 95 %. Finally, this method was successfully applied to the functionalization of relevant bioactive molecules such as tocopherol or estrone derivatives.
Polyampholytic Graft Copolymers as Matrix for TiO2/Eosin Y/[Mo3S13]2− Hybrid Materials and Light‐Driven Catalysis
Authors: Nabiyan Afshin , Max Johannes Bernhard , Neumann Christof , Heiland Magdalena , Turchanin Andrey , Streb Carsten , Schacher Felix Helmut 
Published: February 2021

AbstractAn effective strategy to enhance the performance of inorganic semiconductors is moving towards organic‐inorganic hybrid materials. Here, we report the design of core–shell hybrid materials based on a TiO2 core functionalized with a polyampholytic (poly(dehydroalanine)‐graft‐(n‐propyl phosphonic acid acrylamide) shell (PDha‐g‐PAA@TiO2). The PDha‐g‐PAA shell facilitates the efficient immobilization of the photosensitizer Eosin Y (EY) and enables electronic interactions between EY and the TiO2 core. This resulted in high visible‐light‐driven H2 generation. The enhanced light‐driven catalytic activity is attributed to the unique core–shell design with the graft copolymer acting as bridge and facilitating electron and proton transfer, thereby also preventing the degradation of EY. Further catalytic enhancement of PDha‐g‐PAA@TiO2 was possible by introducing [Mo3S13]2− cluster anions as hydrogen‐evolution cocatalyst. This novel design approach is an example for a multi‐component system in which reactivity can in future be independently tuned by selection of the desired molecular or polymeric species.
Effect of coal particle size on gasification performance of two‐stage entrained‐flow coal gasifier
Authors: Fan Qiang , Liu Yinhe , Li Guangyu , Che Defu 
Published: February 2021

AbstractTo clarify the effect of coal particle sizes on gasification performance of an advanced two‐stage entrained‐flow coal gasifier for IGCC (integrated gasification combined cycle) application, a comprehensive three‐dimensional numerical model is established by incorporating the shrinking core model combined with the Langmuir‐Hinshelwood kinetic rate expression, which considers the inhibitory effect of CO on char‐CO2 reaction. The flow, temperature, and species distributions were obtained, and the results are consistent with the operating data. Results show that the helical flow and eight recirculation zones in the gasifier improve carbon conversion efficiency through extending the residence time of coal particles. Slow devolatilization of large particles caused by slow heating retards volatiles combustion, and thus char combustion and gasification. As a result, less char gasification and higher gas temperature appear in the injection region of the first stage. Higher inertia of larger particles produces higher slip velocity, which enhances heat transfer and mass diffusion to char particles and increases char consumption rate in diffusion‐limited regions. The regions of high inner wall temperature spread from locations around burners to the whole inner wall of the injection and bottom regions in the first stage with increase of coal particle sizes.
Design, Synthesis, and Structure‐Activity Relationship Study of Pyrazolones as Potent Inhibitors of Pancreatic Lipase
Authors: Zhang Jing , Yang Yang , Qian Xing‐Kai , Song Pei‐Fang , Zhao Yi‐Shu , Guan Xiao‐Qing , Zou Li‐Wei , Bao Xiaoze , Wang Hong 
Published: February 2021

AbstractPancreatic lipase (PL), a key target for the prevention and treatment of obesity, plays crucial roles in the hydrolysis and absorption of in dietary fat. In this study, a series of pyrazolones was synthesized, and their inhibitory effects against PL were assayed by using 4‐methylumbelliferyl oleate (4‐MUO) as optical substrate for PL. Comprehensive structure–activity relationship analysis of these pyrazolones led us to design and synthesize a novel compound P32 (5‐(naphthalen‐2‐yl)‐2‐phenyl‐4‐(thiophen‐2‐ylmethyl)‐2,4‐dihydro‐3H‐pyrazol‐3‐one) as a potent mixed‐competitive inhibitor of PL (IC50=0.30 μM). In addition, P32 displayed some selectivity over other known serine hydrolases. A molecular docking study for P32 demonstrated that the inhibitory activity of P32 towards PL could be attributed to the π‐π interactions of 2‐naphthyl unit (R1) and hydrophobic interactions of phenyl moiety (R3) with the active site of PL. Thus, P32 could serve as promising lead compound for the development of more efficacious and selective pyrazolones‐type PL inhibitors for biomedical applications.
Structural Evolution of Boron Clusters on Ag(111) Surfaces – From Atomic Chains to Triangular Sheets with Hexagonal Holes
Authors: Sun Yi , Zhang Xiuyun , Tang Jingyi , Guo Tianxia , Zhou Min , Yao Xiaojing , Liu Lili , Liu Yongjun , Ding Feng 
Published: February 2021

AbstractUnlike graphene and other 2D materials, borophene is 2D polymorphic with diverse hexagonal holes (HHs)‐triangles ratios and the concentrations of HHs are highly substrate dependent. Here, we systematically explored the evolution of boron cluster on Ag(111) surface, BN@Ag(111) (N=1∼36), to understand the nucleation of 2D boron sheet on metal surface. Our calculation showed that, with the size increasing, the structures of most stable BN clusters undergo an evolution from compact triangular lattice, such as double‐chains or triple‐chains, to the ones with mixed triangular‐hexagonal lattices. The first single‐HH appears at N=12 and the first double‐HH appears at N=27. The stability of large BN clusters with mixed structures is derived from the charge transfer between triangular lattice and the HHs, as well as between the substrates and the BN clusters. Our results provide a deep understanding on the formation of small boron clusters in the initial nucleation stage of borophene growth.
Development and validation of the multidimensional version of the fear of self questionnaire: Corrupted, culpable and malformed feared possible selves in obsessive–compulsive and body‐dysmorphic symptoms
Authors: Aardema Frederick , Radomsky Adam S. , Moulding Richard , Wong Shiu F. , Bourguignon Lysandre , Giraldo‐O'Meara Martha 
Published: February 2021

AbstractIn recent years, cognitive‐behavioural models of OCD have increasingly recognized the potential role of feared possible selves in the development and maintenance of OCD, while simultaneously re‐examining factors that have historically been linked to self‐perceptions in OCD. The current article describes the development and validation of a multidimensional version of the Fear of Self Questionnaire (FSQ‐EV) in a non‐clinical (N = 626) and clinical OCD sample (N = 79). Principal component analyses in the non‐clinical sample revealed three conceptually and factorially distinct components revolving around a feared corrupted possible self, a feared culpable possible self and a feared malformed possible self. The questionnaire showed a strong internal inconsistency, and good divergent and convergent validity, including strong relationships to obsessional symptoms. In particular, the corrupted feared self predicted OCD symptoms independently from depression and other related self‐constructs and obsessive beliefs, while also strongly interacting with importance and control of thoughts in the prediction of almost all specific symptoms of OCD. Results are consistent with the notion that self‐constructs can be conceptually and empirically distinguished from obsessive beliefs and appraisals with significant potential to improve our understanding of OCD and related disorders.
Parallel surface reconstruction for large‐scale scenes in the wild
Authors: Cao Mingwei , Gao Hao , Jia Wei 
Published: February 2021

AbstractRecovering a high‐quality texture model in a short time still a pursued goal in both computer vision and graphics communities. Thus, in the past decade, several methods have been proposed for fitting a texture model from the dense point clouds. However, these methods are computational intensity and also suffer from noise especially in outdoor. Moreover, with the popularization of Unmanned Aerial Vehicles (UAVs), it is getting easier to capture image data. While modern methods have much novelty, they may spend a long time on big image datasets. To accelerate the process of texture modeling, in this paper we present a parallel approach to fitting a texture model from the dense point clouds. The presented method makes use of the parallel computing technology and is implemented in parallel octree structure as well as parallel marching cubes. Finally, we conduct a comprehensive experiment on several benchmarking datasets and experimental results show that our method outperforms the state‐of‐the‐art methods and has also a 20 times acceleration.
Retracted: A novel optimized Bat Extreme Learning intrusion detection system for smart Internet of Things networks
Authors: Balasundaram Jothi , M Pushpalatha 
Published: February 2021

SummaryRapid growth in technology has triggered the exponential growth in an advancement of the profoundly associated ubiquitous biological system of unavoidable gadgets, all things considered, called as Internet of Things (IoT). Although these devices make everyone's life as flexible and comfortable, they also suffer from various security breaches. Current scenario of security systems which are employed to safeguard the IoT devices are still in darker side, which has been considered as attractive prey for the attackers. This paper proposes the novel BEL three‐tier intrusion detection architecture which is based novel bat optimized extreme learning machines to detect the various cyber‐attacks over the IoT network. The proposed system consists of (1) design of scalable IoT deployable software which is used to collect the data which are used to classify the different behaviors of IoT networks and (2) data analyzer mechanism (DAM) which analyzes the various malicious characteristics of IoT networks after incurring the attacks in the networks and classifies the type of attacks that has been injected. The real‐time scenario of smart IoT networks for smart automation has been created using API NDNOMNeT which is an extension of OMNeT++ in which the 100 IoT devices has been deployed and attack methodology has been created by Python API. The efficiency of the projected IDS planning has been evaluated on the above test beds, deploying different attacks categories such as denial of services (DoS), man in middle (MIM)/spoofing, replay, and data leakage. The experiments demonstrate that the performance of the proposed IDS architecture has outperformed the other existing learning‐based IDS in terms of accuracy, sensitivity, time complexity, and reliability.