bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cyamella (a popliteal sesamoid bone) prevalence: A systematic review, meta‐analysis, and proposed classification system
Authors: Berthaume Michael A. , Bull Anthony M. J. 
Published: April 2021

AbstractThe cyamella is a rare, generally asymptomatic, knee sesamoid bone located in the proximal tendon of the popliteal muscle. Only two studies have investigated cyamella presence/absence in humans, putting ossified prevalence rates at 0.57%–1.8%. We aim to (a) determine cyamella prevalence in a Korean population, (b) examine coincident development of the cyamella and fabella, and (c) perform a systematic review and meta‐analysis on the cyamella in humans. Medical computed tomography scans of 106 individuals were reviewed. A systematic review and meta‐analysis were performed following PRISMA guidelines. Cyamellae were found in 3/212 knees (1.4%), and presence/absence was uncorrelated to height, age, and sex. The cyamella was not found coincidentally with the fabella, although the statistical power was low. Our systematic review/meta‐analysis revealed cyamellae were generally asymptomatic and ossification could occur at 14 years. Cyamellae were equally likely to be found in both sexes, knees, one or both knees, and there appeared to be no global variation in prevalence rates. Cyamellae were found in three distinct locations. There is little support for the role of intrinsic genetic and/or environmental factors in cyamella development in humans. However, the apparent phylogenetic signal in Primates suggests genetics plays a role in cyamella development. We propose a cyamella classification system based on cyamella location (Class I, popliteal sulcus; Class II, tibial condyle; Class III, fibular head) and hypothesize locations may correspond to distinct developmental pathways, and cyamella function may vary with location.
Patients with COVID‐19 who experience a myocardial infarction have complex coronary morphology and high in‐hospital mortality: Primary results of a nationwide angiographic study
Authors: Abizaid Alexandre , Campos Carlos M. , Guimarães Patrícia O. , Costa José de Ribamar , Falcão Breno A. A. , Mangione Fernanda , Caixeta Adriano , Lemos Pedro A. , de Brito Fabio S. , Cavalcante Ricardo , Bezerra Cristiano Guedes , Cortes Leandro , Ribeiro Henrique B. , de Souza Francis R. , Huemer Natassja , do Val Renata M. , Caramelli Bruno , Calderaro Daniela , Lima Felipe G. , Hajjar Ludhmila A. , Mehran Roxana , Filho Roberto Kalil ,   the COVID MI investigators
Published: April 2021

AbstractObjectivesWe aimed to explore angiographic patterns and in‐hospital outcomes of patients with concomitant coronavirus disease‐19 (COVID‐19) and myocardial infarction (MI).BackgroundPatients with COVID‐19 may experience MI during the course of the viral infection. However, this association is currently poorly understood.MethodsThis is a multicenter prospective study of consecutive patients with concomitant COVID‐19 and MI who underwent coronary angiography. Quantitative and qualitative coronary angiography were analyzed by two observers in an independent core lab.ResultsA total of 152 patients were included, of whom 142 (93.4%) had COVID‐19 diagnosis confirmation. The median time between symptom onset and hospital admission was 5 (1–10) days. A total of 83 (54.6%) patients presented with ST‐elevation MI. The median angiographic Syntax score was 16 (9.0–25.3) and 69.0% had multi‐vessel disease. At least one complex lesion was found in 73.0% of patients, 51.3% had a thrombus containing lesion, and 57.9% had myocardial blush grades 0/1. The overall in‐hospital mortality was 23.7%. ST‐segment elevation MI presentation and baseline myocardial blush grades 0 or 1 were independently associated with a higher risk of death (HR 2.75, 95%CI 1.30–5.80 and HR 3.73, 95%CI 1.61–8.61, respectively).ConclusionsPatients who have a MI in the context of ongoing COVID‐19 mostly present complex coronary morphologies, implying a background of prior atherosclerotic disease superimposed on a thrombotic milieu. The in‐hospital prognosis is poor with a markedly high mortality, prompting further investigation to better clarify this newly described condition.
Highly Enhanced Methanol Electrooxidation on Pt/N−CNT‐Decorated FeP**
Authors: Liu Dongqin , Yang Guangxing , Zhang Qiao , Wang Hongjuan , Yu Hao , Peng Feng 
Published: April 2021

AbstractThe electrooxidation of methanol – the anodic reaction of direct methanol fuel cells – suffers from slow kinetics. Here, we report an enhanced current density for a Pt catalyst supported on nitrogen‐doped carbon nanotube (N−CNT) decorated FeP. X‐ray photoelectron spectra show that the introduction of FeP increases the binding energy of the Pt nanoparticles. The results show that Pt/FeP15%/N−CNT displays a 3.4 times higher forward peak current density compared to commercial Pt/C. The improved performance is attributed to a change in the electronic state of the Pt nanoparticles through the electronic interaction between Pt and FeP, evidenced by the mitigated CO poisoning.
Accessing C2‐Functionalized 1,3‐(Benz)azoles through Transition Metal‐Catalyzed C−H Activation
Authors: Basak Sumon , Dutta Subhabrata , Maiti Debabrata 
Published: April 2021

AbstractThe skeletal presence of 1,3‐azoles in a variety of bioactive natural products, pharmacophores, and organic materials demands the derivatization of such heteroarenes regioselectively. Plenty of cross‐coupling as well as cyclocondensation reactions have been performed to build up these skeletons but remained commercially unrealizable. A couple of severe drawbacks are faced by these traditional protocols that require a more straightforward strategy to obviate them. Transition metal‐catalyzed C−H functionalization has emerged as a superior alternative in that context. 1,3‐Azoles and their benzo counterparts have been extensively functionalized exploiting both noble and earth‐abundant transition metals. Lately, C‐2 functionalization have gained much traction due to the ease of attaining high regioselectivity and installation of synthetically manipulative functionalities. This critical review presents a bird‘s eye view of all major C‐2 functionalization of (benz)azoles catalyzed by a diverse set of metals performed over the past 15 years.
Scalable Production of Ambient Stable Hybrid Bismuth‐Based Materials: AACVD of Phenethylammonium Bismuth Iodide Films**
Authors: Wang M. , Sanchez‐Perez C. , Habib F. , Blunt M. O. , Carmalt C. J. 
Published: April 2021

AbstractLarge homogeneous and adherent coatings of phenethylammonium bismuth iodide were produced using the cost‐effective and scalable aerosol‐assisted chemical vapor deposition (AACVD) methodology. The film morphology was found to depend on the deposition conditions and substrates, resulting in different optical properties to those reported from their spin‐coated counterparts. Optoelectronic characterization revealed band bending effects occurring between the hybrid material and semiconducting substrates (TiO2 and FTO) due to heterojunction formation, and the optical bandgap of the hybrid material was calculated from UV‐visible and PL spectrometry to be 2.05 eV. Maximum values for hydrophobicity and crystallographic preferential orientation were observed for films deposited on FTO/glass substrates, closely followed by values from films deposited on TiO2/glass substrates.
Photoresponsive Binding Dynamics in High‐Affinity Cucurbit[8]uril‐Dithienylethene Host‐Guest Complexes
Authors: Colaço Miriam , Máximo Patrícia , Jorge Parola A. , Basílio Nuno 
Published: April 2021

AbstractThe use of external stimuli to control the binding kinetics in supramolecular systems is of critical importance for the development of advanced molecular machines and devices. In this work, a study focused on the kinetics of a water‐soluble host‐guest system based on cucurbit[8]uril and two dithienylethene (DTE) photoswitches is reported. It is shown that for the DTE guest comprising two anionic sulfonate side arms appended to pyridinium moieties, the formation/dissociation of the pseudorotaxane structures is slowed down by more than 100000‐fold with respect to its bipyridinium analogue. The decrease in ingression rate leads to the emergence of a competitive metastable product with the open DTE isomer that has an important influence in the overall binding kinetics. Moreover, the host‐guest dissociation kinetics is demonstrated to be approximately 100‐fold slower for the closed DTE isomer (t1/2=107 h vs. t1/2=1.2 h for the open isomer) allowing control over the dissociation rate with light.
Stereoretentive N‐Arylation of Amino Acid Esters with Cyclohexanones Utilizing a Continuous‐Flow System
Authors: Ichitsuka Tomohiro , Komatsuzaki Shingo , Masuda Koichiro , Koumura Nagatoshi , Sato Kazuhiko , Kobayashi Shū 
Published: April 2021

AbstractThe N‐arylation of chiral amino acid esters with minimal racemization is a challenging transformation because of the sensitivity of the α‐stereocenter. A versatile synthetic method was developed to prepare N‐arylated amino acid esters using cyclohexanones as aryl sources under continuous‐flow conditions. The designed flow system, which consists of a coil reactor and a packed‐bed reactor containing a Pd(OH)2/C catalyst, efficiently afforded the desired N‐arylated amino acids without significant racemization, accompanied by only small amounts of easily removable co‐products (i. e., H2O and alkanes). The efficiency and robustness of this method allowed for the continuous synthesis of the desired product in very high yield and enantiopurity with high space‐time yield (74.1 g L−1 h−1) and turnover frequency (5.9 h−1) for at least 3 days.
Multifunctional Polymer–Protein Conjugates Generated by Multicomponent Reactions†
Authors: Mao Tengfei , Zhu Chongyu , Tao Lei 
Published: April 2021

AbstractRecently, multifunctional polymers for protein conjugation have been facilely synthesized through the multicomponent reactions (MCRs). In this mini‐review, current progress in the generation of multifunctional polymers with protein‐reactive groups via MCRs is summarized. These multifunctional polymers react with model therapeutic proteins, forming multifunctional polymer‐protein conjugates, which are prototypes of sophisticated theranostic agents and antibacterial vaccine candidates. In comparison with the traditional multi‐step synthesis, the preparation of multifunctional polymers for protein conjugation through MCRs is straightforward and convenient. Due to these properties, MCRs have the potential to become a new general strategy to achieve polymer‐protein conjugates for biological and medical applications.
Fundamental Aspects of Ceria Supported Au Catalysts Probed by In Situ/Operando Spectroscopy and TAP Reactor Studies
Authors: Abdel‐Mageed Ali M. , Chen Shilong , Fauth Corinna , Häring Thomas , Bansmann Joachim 
Published: April 2021

AbstractThe discovery of the activity of dispersed gold nanoparticles three decades ago paved the way for a new era in catalysis. The unusual behavior of these catalysts sparked many questions about their working mechanism. In particular, Au/CeO2 proved to be an efficient catalyst in several reactions such as CO oxidation, water gas shift, and CO2 reduction. Here, by employing findings from operando X‐ray absorption spectroscopy at the near and extended Au and Ce LIII energy edges, we focus on the fundamental aspects of highly active Au/CeO2 catalysts, mainly in the CO oxidation for understanding their complex structure‐reactivity relationship. These results were combined with findings from in situ diffuse reflectance FTIR and Raman spectroscopy, highlighting the changes of adlayer and ceria defects. For a comprehensive understanding, the spectroscopic findings will be supplemented by results of the dynamics of O2 activation obtained from Temporal Analysis of Products (TAP). Merging these results illuminates the complex relationship among the oxidation state, size of the Au nanoparticles, the redox properties of CeO2 support, and the dynamics of O2 activation.
How sowing date affects development and performance of safflower through climate variables
Authors: Franchini María Clara , Flemmer Andrea Cecilia , Lindström Lilia Ivone , Carrin María Elena , Constenla Diana , Johnson Richard Coburn 
Published: April 2021

AbstractSafflower (Carthamus tinctorius L.) has unrealized potential as an alternative crop in many semiarid regions including central Argentina. Our objective was to relate how temperature and precipitation conditions with fall (5 June 2012 and 23 Apr. 2013) and winter sowing (13 Aug. 2012 and 20 Aug. 2013) affected phenology, yield, yield components, and oil percent in four winter and eight spring‐type safflower accessions in the semiarid region of central Argentina. Fall sowing was associated with lower temperatures, higher precipitation, lower heat/moisture stress indices and precipitation deficits than winter sowing. Rosette period lasted 55 d longer, and stem elongation to anthesis period 30 d longer in fall than in winter sowing. However, anthesis was advanced only few days in fall sowing and duration of postanthesis development was comparable between sowing regimes and years. Fall sowing plants averaged 3,252 filled grains m–2 and a grain yield of 109.8 g m–2, whereas winter sowing plants averaged 1,443 filled grains m–2 and a grain yield of 49.3 g m–2. Grain yield was 35% higher in winter than in spring‐type accessions, but winter types had lower oil percent (22.0%) than spring‐types (33.3%). In the semiarid region of central Argentina, we recommend fall sowing as it extended the growing season in terms of days preanthesis and presented favorable climatic conditions for safflower development.
Stabilizing LiNi0.8Co0.15Mn0.05O2 Cathode by Doping Sulfate for Lithium‐Ion Batteries
Authors: Li Jianying , Wu Jian , Li Shaomin , Liu Guobiao , Cui Yanhua , Dong Zhaohui , Liu Hao , Sun Xueliang 
Published: April 2021

AbstractResidual sulfate (SO42−) in precursor Ni0.8Co0.15Mn0.05(OH)2 (pre‐NCM) is commonly regarded as being harmful to Li[Ni0.8Co0.15Mn0.05]O2 (NCM) performance, leading to significant performance losses and also hampering the electrode fabrication. Therefore, manufacturers try their best to lower sulfate contents in pre‐NCM. However, how the sulfate affects the cathode materials is not systematically studied. To address these issues, NCM was synthesized with different amounts of intentionally added sulfate (NH4)2SO4 in pre‐NCM. It was demonstrated that anionic SO42− doped in NCM could influence the grain size in sintering process and stabilize the layer structure during the charge–discharge process at a certain doping amount. The first‐principles calculations suggested that the SO42− doped in the transition metal layer could effectively facilitate Li+ diffusion in the lattice. SO42− doping could reduce the energy barrier for Li+ migration and then suppress drastic contraction of the c axis during cycling. The phase transition of H2 to H3 caused by c axis contraction was suppressed and the cycling performance was enhanced. The capacity retention could reach 80.9 (0.2 C) and 80.4 % (1 C) after 380 and 240 cycles in coin cells, respectively. These findings illustrate that a certain amount of sulfate could be beneficial to NCM cathodes.
Optimized localization using naked mole‐rat algorithm in dynamic wireless sensor networks
Authors: Singh Prabhjot , Singh Parulpreet , Mittal Nitin 
Published: April 2021

SummaryLocalization in wireless sensor networks (WSNs) becomes an essential and important part of research in past few years. Finding location of the occurring event is essential in most of the applications, namely, monitoring of objects, tracking of animals and various resources placed in the indoor and outdoor environments. WSN consists of sensors placed in huge amounts across large regions of globe to perform various tasks such as data sensing and communicating with other devices. The aim of this research is to analyse various location optimization techniques to address a WSN localization problem and assigning appropriate coordinates to the unknown sensor nodes. In this paper, the authors have introduced the concept of sensor node localization in a 2D dynamic environment using a single anchor node (static) along with virtual anchors to locate target nodes (dynamic) using hexagonal projection technique, and further, the estimated target node coordinates are optimized using novel naked mole‐rat algorithm (NMRA). This paper discusses the performance of various location optimization techniques available in literature with NMRA‐based technique in terms of localization error and number of localized nodes.
Application of a Tetraamino Cobalt(II) Phthalocyanine Modified Screen Printed Carbon Electrode for the Sensitive Electrochemical Determination of L‐Dopa in Pharmaceutical and Biological Samples
Authors: Georgescu State Ramona , Stefanov Cristina , van Staden Jacobus (Koos) Frederick , van Staden Raluca‐Ioana Stefan 
Published: April 2021

AbstractA novel synthesized tetraamino cobalt(II) phthalocyanine monomer was used for the fabrication of a sensor by electrochemical polymerization. A disposable electrochemical sensor based on the use of a screen printed carbon electrode covered with an electropolymerized film of tetraamino cobalt(II) phthalocyanine for the determination of L‐dopa in pharmaceutical tablets and biological samples was described. Cyclic voltammetry and electrochemical impedance spectroscopy were performed for the characterization of the bare and modified electrode. For the electrochemical detection of L‐dopa differential pulse voltammetry was used. The proposed method exhibits a good response towards electrooxidation of L‐dopa in the linear concentration range: from 0.1 to 1000.0 μmol L−1 in BRB pH=2.0, with a detection limit of 0.03 μmol L−1 and from 1 to 1000 μmol L−1 in PBS pH=7.4, with a detection limit of 0.33 μmol L−1. Due to the fact that the developed sensor was applied in two different types of real samples, two buffer media were used, BRB pH=2.0 for pharmaceutical and urine samples and PBS pH=7.4 for whole blood samples. The proposed pCoTAPc/SPCE was successfully applied for the determination of L‐dopa in pharmaceutical tablets, urine and in whole blood samples with satisfactory results.
Determination of lipid–water partition coefficient of neutral and ionic drugs by liposome electrokinetic chromatography
Authors: Jiang Hui , Zhang Hao , Yin Shi‐Jun , Lu Min , Wang Xu , Yang Feng‐Qing 
Published: April 2021

AbstractProfiling of lipid–water partition coefficients (KL/W) of drugs is an essential issue during the early stage of drug development. In this study, two liposomes, including 1,2‐distearoyl‐sn‐glycero‐3‐phosphocholine (DSPC) + cholesterol (Chol) (DSPC/Chol liposomes) and soybean lecithin (SPC) + Chol (SPC/Chol liposomes), were prepared for the liposome electrokinetic chromatography (LEKC) analysis, and the logarithm of lipid–water partition coefficients (log KL/W) of neutral and ionic drugs were determined based on an iterative method. The log KL/W values determined by the SPC/Chol or DSPC/Chol liposomes LEKC were linearly fitted, which showed a good fitting coefficient (R2 = 0.89). Furthermore, the linear relationship between the data obtained from LEKC system and octanol–water system, immobilized artificial membrane, Caco‐2 cell model, and software prediction was analyzed, respectively. Results illustrated that DSPC/Chol liposomes or SPC/Chol liposomes had a good linear relationship with Caco‐2 cell model, and R2 was 0.81 and 0.72, respectively. Moreover, the linear free energy relationship analysis suggested that the solute volume, hydrogen bond basicity, and J– were the main descriptors that drove the partition process of solutes in the SPC/Chol or DSPC/Chol LEKC system. In addition, the normalized properties of the SPC/Chol and DSPC/Chol LEKC systems through linear free energy relationship analysis were very close. In short, DSPC/Chol liposomes are more suitable for simulating cell membranes than SPC/Chol liposomes, and the developed LEKC is an effective partitioning model for measuring the log KL/W of drugs.
Chiral separation and molecular simulation study of six antihistamine agents on a coated cellulose tri‐(3,5‐dimethylphenycarbamate) column (Chiralcel OD‐RH) and its recognition mechanisms
Authors: Liu Yanru , Wang Xia , Yu Jia , Guo Xingjie 
Published: April 2021

AbstractEnantiomeric separation of six antihistamine agents was first systematically investigated on a cellulose‐based chiral stationary phase (CSP), that is, cellulose tris‐(3,5‐dimethyl phenyl carbamate) (Chiralcel OD‐RH), under the reversed‐phase mode. Orphenadrine, meclizine, terfenadine, dioxopromethazine, and carbinoxamine enantiomers were completely separated under the optimized mobile phase conditions with resolutions of 5.02, 1.93, 1.68, 1.67, and 1.54, respectively. Mequitazine was partially separated with a resolution of 0.77. The influences of type and concentration of buffer salt, the pH of buffer solution, and the type and ratio of organic modifier on the chiral separation were evaluated and optimized. For a better insight into the enantiorecognition mechanisms, molecular docking was carried out via the Autodock software. The lowest binding energy and the optimal conformations of the analytes/CSP complexes were supplied, and the mechanisms of chiral recognition were determined. According to the results, the key interactions for the chiral recognition of these six analytes on CDMPC were π–π interactions, hydrophobic interactions, hydrogen bond interactions, and some special interactions.
A scalable parallel unstructured finite volume lattice Boltzmann method for three‐dimensional incompressible flow simulations
Authors: Xu Lei , Li Jingzhi , Chen Rongliang 
Published: April 2021

AbstractThe standard lattice Boltzmann method, which employs certain regular lattices coupled with discrete velocities as the computational grid, is limited in its flexibility to simulate flows in irregular geometries. To simulate large‐scale complex flows, we present a cell‐centered finite volume lattice Boltzmann method for incompressible flows on three‐dimensional (3D) unstructured grids and its corresponding parallel algorithm. The advective fluxes are calculated by the low‐diffusion Roe scheme, and the gradients of the particle distribution functions are computed with a least squares method. The presented scheme is validated by three benchmark flows: (a) a 3D Poiseuille flow, (b) cubic cavity flows with Reynolds numbers Re = 100 and 400, and (c) flows past a sphere with Re = 50, 100, 150, 200, and 250. Some parallel performance results are presented to show the scalability of the method, which reveal that the proposed parallel algorithm has considerable scalability and that the parallel efficiency is higher than 87% on 3840 processor cores. It can be seen that the presented parallel solver has significant potential for the accurate simulation of flows in complex 3D geometries.