bluuebunny/crossref_metadata_2025_split huggingface dataset:
Biophysical Considerations in the Rational Design and Cellular Targeting of Flexible Polymeric Nanoparticles
Authors: Farokhirad Samaneh , Kandy Sreeja Kutti , Tsourkas Andrew , Ayyaswamy Portonovo S. , Eckmann David M. , Radhakrishnan Ravi 
Published: November 2021

AbstractHow nanoparticle (NP) mechanical properties impact multivalent ligand–receptor‐mediated binding to cell surfaces, the avidity, propensity for internalization, and effects due to crowding remains unknown or unquantified. Through computational analyses, the effects of NP composition from soft, deformable NPs to rigid spheres, effect of tethers, the crowding of NPs at the membrane surface, and the cell membrane properties such as cytoskeletal interactions are addressed. Analyses of binding mechanisms of three distinct NPs that differ in type and rigidity (core‐corona flexible NP, rigid NP, and rigid‐tethered NP) but are otherwise similar in size and ligand surface density are reported; moreover, for the case of flexible NP, NP stiffness is tuned by varying the internal crosslinking density. Biophysical modeling of NP binding to membranes together with thermodynamic analysis powered by free energy calculations is employed, and it is shown that efficient cellular targeting and uptake of NP functionalized with targeting ligand molecules can be shaped by factors including NP flexibility and crowding, receptor–ligand binding avidity, state of the membrane cytoskeleton, and curvature inducing proteins. Rational design principles that confer tension, membrane excess area, and cytoskeletal sensing properties to the NP which can be exploited for cell‐specific targeting of NP are uncovered.
Indirect to Direct Charge Transfer Transition in Plasmon‐Enabled CO2 Photoreduction
Authors: Zhang Yimin , Yan Lei , Guan Mengxue , Chen Daqiang , Xu Zhe , Guo Haizhong , Hu Shiqi , Zhang Shengjie , Liu Xinbao , Guo Zhengxiao , Li Shunfang , Meng Sheng 
Published: November 2021

AbstractUnderstanding hot carrier dynamics between plasmonic nanomaterials and its adsorbate is of great importance for plasmon‐enhanced photoelectronic processes such as photocatalysis, optical sensing and spectroscopic analysis. However, it is often challenging to identify specific dominant mechanisms for a given process because of the complex pathways and ultrafast interactive dynamics of the photoelectrons. Here, using CO2 reduction as an example, the underlying mechanisms of plasmon‐driven catalysis at the single‐molecule level using time‐dependent density functional theory calculations is clearly probed. The CO2 molecule adsorbed on two typical nanoclusters, Ag20 and Ag147, is photoreduced by optically excited plasmon, accompanied by the excitation of asymmetric stretching and bending modes of CO2. A nonlinear relationship has been identified between laser intensity and reaction rate, demonstrating a synergic interplay and transition from indirect hot‐electron transfer to direct charge transfer, enacted by strong localized surface plasmons. These findings offer new insights for CO2 photoreduction and for the design of effective pathways toward highly efficient plasmon‐mediated photocatalysis.
Based On Confined Polymerization: In Situ Synthesis of PANI/PEEK Composite Film in One‐Step
Authors: Lin Ziyu , Cao Ning , Sun Zhonghui , Li Wenying , Sun Yirong , Zhang Haibo , Pang Jinhui , Jiang Zhenhua 
Published: November 2021

AbstractConfined polymerization is an effective method for precise synthesis, which can further control the micro‐nano structure inside the composite material. Polyaniline (PANI)‐based composites are usually prepared by blending and original growth methods. However, due to the strong rigidity and hydrogen bonding of PANI, the content of PANI composites is low and easy to agglomerate. Here, based on confined polymerization, it is reported that polyaniline /polyether ether ketone (PANI/PEEK) film with high PANI content is synthesized in situ by a one‐step method. The micro‐nano structure of the two polymers in the confined space is further explored and it is found that PANI grows in the free volume of the PEEK chain, making the arrangement of the PEEK chain more orderly. Under the best experimental conditions, the prepared 16 µm‐PANI/PEEK film has a dielectric constant of 205.4 (dielectric loss 0.401), the 75 µm‐PANI/PEEK film has a conductivity of 3.01×10−4 S m−1. The prepared PANI/PEEK composite film can be further used as electronic packaging materials, conductive materials, and other fields, which has potential application prospects in anti‐static, electromagnetic shielding materials, corrosion resistance, and other fields.
Tunable Two‐Channel Magnetotransport in SrRuO3 Ultrathin Films Achieved by Controlling the Kinetics of Heterostructure Deposition
Authors: Ko Eun Kyo , Lee Han Gyeol , Lee Sangmin , Mun Junsik , Kim Jinkwon , Lee Ji Hye , Kim Tae Heon , Chung Jin‐Seok , Chung Suk Bum , Park Sang Hwa , Yang Sang Mo , Kim Miyoung , Chang Seo Hyoung , Noh Tae Won 
Published: November 2021

AbstractIn the field of oxide heterostructure engineering, there are extensive efforts to couple the various functionalities of each material. The Berry curvature‐driven magnetotransport of SrRuO3 ultrathin films is currently receiving a great deal of attention because it is extremely sensitive to the electronic structures near the Fermi surface driven by extensive physical parameters such as spin–orbit coupling and inversion symmetry breaking. Although this is beneficial in terms of heterostructure engineering, it renders transport behavior vulnerable to nanoscale inhomogeneity, resulting in artifacts called “hump anomalies.” Here, a method to tune the magnetotransport properties of SrRuO3 ultrathin films capped by LaAlO3 layers is developed. The kinetic process of pulsed laser deposition by varying the growth pressure during LaAlO3 layer deposition is systematically controlled. Furthermore, the effects of nanoscale inhomogeneity on the Berry curvature near the Fermi surface in SrRuO3 films are investigated. It is found that the high kinetic energy of the capping layer adatoms induces stoichiometric modification and nanoscale lattice deformation of the underlying SrRuO3 layer. The control of kinetics provides a way to modulate magnetization and the associated magnetotransport of the SrRuO3 layer.
Generating and evaluating explanations of attended and error‐inducing input regions for VQA models
Authors: Ray Arijit , Cogswell Michael , Lin Xiao , Alipour Kamran , Divakaran Ajay , Yao Yi , Burachas Giedrius 
Published: November 2021

AbstractAttention maps, a popular heatmap‐based explanation method for Visual Question Answering, are supposed to help users understand the model by highlighting portions of the image/question used by the model to infer answers. However, we see that users are often misled by current attention map visualizations that point to relevant regions despite the model producing an incorrect answer. Hence, we propose Error Maps that clarify the error by highlighting image regions where the model is prone to err. Error maps can indicate when a correctly attended region may be processed incorrectly leading to an incorrect answer, and hence, improve users' understanding of those cases. To evaluate our new explanations, we further introduce a metric that simulates users' interpretation of explanations to evaluate their potential helpfulness to understand model correctness. We finally conduct user studies to see that our new explanations help users understand model correctness better than baselines by an expected 30% and that our proxy helpfulness metrics correlate strongly () with how well users can predict model correctness.
Dysautonomia in the Ehlers–Danlos syndromes and hypermobility spectrum disorders—With a focus on the postural tachycardia syndrome
Authors: Mathias Christopher J. , Owens Andrew , Iodice Valeria , Hakim Alan 
Published: November 2021

AbstractDysautonomia (autonomic dysfunction) occurs in the Ehlers–Danlos syndromes (EDS) and hypermobility spectrum disorders (HSD). Symptoms include palpitations, dizziness, presyncope, and syncope, especially when standing upright. Symptoms of orthostatic intolerance are usually relieved by sitting or lying and may be exacerbated by stimuli in daily life that cause vasodilatation, such as food ingestion, exertion, and heat. Neurocardiovascular dysautonomia may result in postural tachycardia syndrome (PoTS), a major cause of orthostatic intolerance. It is defined by a rise in heart rate of >30 beats per minute (bpm) in adults and >40 bpm in teenagers while upright, without a fall in blood pressure (BP; orthostatic hypotension). In some, it can be compounded by the presence of low BP. For many, there is delay in clinicians recognizing the nature of the symptoms, and recognizing EDS or HSD, leading to delays in treatment. The onset of PoTS may be linked to an event such as infection, trauma, surgery, or stress. Gastrointestinal and urinary bladder involvement may occur, along with thermoregulatory dysfunction. In some, the mast cell activation syndrome may be contributary, especially if it causes vasodilatation. This paper reviews neurocardiovascular dysautonomia with an emphasis on PoTS, its characteristics, associations, pathophysiology, investigation, and treatment.
Space charge performance of epoxy composites with improved thermal property at high temperature under high electric field
Authors: Dai Chao , Zhu Guangyu , Tanaka Yasuhiro , Miyake Hiroaki , Sato Kosuke , Chen Xiangrong , Paramane Ashish 
Published: November 2021

AbstractThis article investigates the high‐temperature space charge dynamics of epoxy composites consisting of micro and nano‐AlN fillers under a high electric field. The test temperatures are selected for the space charge measurement based on the glass transition temperature. An indigenously designed pulse electro‐acoustic system measures the space charge distribution up to 150°C. The stepwise‐increasing field is applied to the test samples from 20 to 100 kV/mm at the rate of 20 kV/mm. The epoxy hybrid composites show negligible space charge accumulation at room temperature and low electric fields, which increases at high temperatures and high electric fields. The hybrid composite with 1 wt% nanoparticle has a dielectric breakdown at 100 and 150°C under 100 kV/mm with an evident amount of accumulated charges. In the hybrid composites with 3 and 5 wt% nanofillers, the breakdown is observed under 80 and 100 kV/mm, respectively, at 150°C. Notably, the micro‐nano filler addition significantly improves the thermal conductivity of the epoxy resin. The uniform dispersion of the fillers affects the electrical and thermal properties of the epoxy. The charge dynamics‐related mechanism is proposed on the basis of morphological characterization and thermal properties of epoxy and its composites.
Surface tension and interfacial tension of polyolefins and polyolefin blends
Authors: Charfeddine Ilhem , Majesté Jean‐Charles , Carrot Christian , Lhost Olivier 
Published: November 2021

AbstractThis paper focuses on the calculation of the interfacial tension of two systems: low‐density polyethylene with isotactic polypropylene and high‐density polyethylene with syndiotactic polypropylene. For this, three methods to measure the interfacial tension are compared: the use of Palierne's model, and Gramespacher and Meissner's model, both based on additional elasticity or long relaxation times brought by shape recovery of dispersed phase, and ab‐initio calculation, which requires the knowledge of the surface tension of the neat polymer measured at the same temperature. For that, a database collected from the literature is built in the first section of this paper, whether for the studied systems or for other systems of various olefinic homopolymers or copolymers with polypropylene. The results show the effectiveness of the Gramespacher and Meissner's model to calculate the interfacial tension of the studied systems for which the results were in agreement with ab‐initio calculation and Palierne's model. Extension of the ab‐initio calculation to olefinic copolymers was proposed.
The observations of the gigahertz‐peaked spectra pulsars
Authors: Rożko Karolina 
Published: November 2021

AbstractIn this short overview, we summarize the current knowledge of the pulsar spectra that exhibit turnovers between 0.5 and 1.5 GHz. We focus on the observations of pulsars, for which the analysis of their spectra allowed a formulation of the hypothesis that external mechanisms are responsible for the high‐frequency turnovers. Among these, we discuss the cases of the binary pulsar B1259‐63, the Sagittarius A* radiomagnetar (SGR J1745‐2900), the variable spectrum of pulsar (PSR) B1800‐21, and PSR J1740 + 1000.
Fructose diet ameliorates effects of macrophage migration inhibitory factor deficiency on prefrontal cortex inflammation, neural plasticity, and behavior in male mice
Authors: Vratarić Miloš , Šenk Vladimir , Bursać Biljana , Gligorovska Ljupka , Ignjatović Djurdjica , Kovačević Sanja , Veličković Nataša , Djordjevic Ana 
Published: November 2021

AbstractMacrophage migration inhibitory factor (MIF) is a pro‐inflammatory cytokine that represents a link between diet‐induced inflammation and insulin resistance. Our aim was to examine whether fructose diet affects inflammation and insulin signaling in the prefrontal cortex (PFC) of Mif knockout mice (MIF‐KO), and their possible link to neural plasticity and behavior. We analyzed nuclear factor κB (NF‐κB) and glucocorticoid signaling, expression of F4/80, IL‐1β, TNF‐α, TLR‐4, MyD88, arginase 1 (Arg‐1), mannose receptor (Mrc‐1), and leukemia inhibitory factor (Lif) to assess inflammation in the PFC of C57/BL6J and MIF‐KO mice consuming 20% fructose solution for 9 weeks. Insulin receptor (IR), IRS‐1 serine phosphorylations (307 and 1101) and activity of PKCα, Akt, GSK‐3β and AMPKα were used to analyze insulin signaling. Brain‐derived neurotrophic factor (BDNF) and insulin‐like growth factor 1 (IGF‐1) mRNA levels, together with synapthophysin and PSD‐95 protein level and calcium calmodulin‐dependent kinase 2 (CaMKII) activity, were used as plasticity markers. Behavior was examined in elevated plus maze, light dark box and novel object recognition test. The results showed concomitant increase of Tnf‐α, Tlr‐4, MyD88 and M2 microglia markers (Arg‐1, Mrc‐1, Lif) in the PFC of MIF‐KO, paralleled with unchanged glucocorticoid and insulin signaling. Increase of BDNF and IGF‐1 was paralleled with increased CaMKII activity, decreased PSD‐95 protein level, anxiogenic behavior, and impaired memory in MIF‐KO mice. Fructose feeding restored these parameters in the PFC to the control level and mitigated behavioral changes, suggesting that ameliorating effects of fructose on neuroinflammation and behavior depend on the presence of MIF.
Impact of sex on outcomes of percutaneous coronary intervention for chronic total occlusion: A meta‐analysis
Authors: Latif Azka , Ahsan Muhammad Junaid , Lateef Noman , Aurit Sarah , Mirza Mohsin M. , Siller‐Matula Jolanta M , Mamas Mamas A. , Parikh Manish , Brilakis Emmanouil S. , Abbott J. Dawn , Bhatt Deepak L. , Velagapudi Poonam 
Published: November 2021

AbstractBackgroundWomen are underrepresented in chronic total occlusion (CTO) trials and little is known about sex differences in the outcomes of CTO percutaneous coronary intervention (PCI). This meta‐analysis aims to compare the outcomes of CTO PCI in males and females.MethodsA comprehensive search of PubMed, EMBASE, Cochrane, Web of Science, and Google Scholar was performed for studies comparing outcomes of CTO PCI in females versus males from inception to January 26, 2021. The current statistical analysis was performed using STATA version 15.1 software (Stata Corporation, TX); P < 0.05 indicated statistical significance.ResultsFourteen observational studies were included in the analysis with 75% males and 25% females. The mean age was 64.47 ± 10.5 years and 68.98 ± 9.5 years for males and females, respectively. The median follow‐up duration was 2.4 years. Males had a higher Japanese‐CTO (J‐CTO) score compared with females (MD = −0.17; 95% CI: −0.25 to −0.10). Females had statistically higher success rates of CTO PCI (RR = 1.03; 95% CI: 1.01 to1.05), required less contrast volume (MD = −18.64: 95% CI: −30.89 to −6.39) and fluoroscopy time (MD = −9.12; 95% CI: −16.90 to −1.34) compared with males. There was no statistical difference in in‐hospital (RR = 1.50; 95% CI: 0.73 to 3.09) or longer term (≥6 months) all‐cause mortality (RR = 1.10; 95% CI: 0.86 to 1.42) between the two groups.ConclusionsCTO PCI is feasible and safe in female patients with comparable outcomes in female versus male patients.
Radiation response of soft‐tissue extramedullary plasmacytoma in multiple myeloma—A case report
Authors: Gaube Alexandra , Nica Silvia Gabriela , Dobrea Camelia , Neicu Stefania Ariana , Moldoveanu Vanessa Gabriela , Serbanescu Magda , Calangiu Filip Stefan 
Published: November 2021

AbstractWe report the case of a 79‐year‐old female patient previously treated for multiple myeloma that was referred to our hospital due to a growing painless right arm tumor. Imaging and pathology results confirmed the diagnosis of extramedullary plasmacytoma. The patient underwent external beam radiotherapy with complete clinical response at follow‐up.
Imidazolyl‐Phenylcarbazole‐Based Host Materials and Their Use for Co‐host Designs in Phosphorescent OLEDs
Authors: Yi Rong‐Huei , Lei Ya‐Chun , Tseng Yeh‐Hsiang , Lin Yi‐Fan , Cheng Yen‐Chia , Fang Yu‐Chuan , Ho Cheng‐Yung , Tsai Wei‐Wen , Chang Chih‐Hao , Lu Chin‐Wei 
Published: November 2021

AbstractIn recent years, owing to the demand for high‐efficiency phosphorescent organic light‐emitting devices (PhOLEDs), many studies have been conducted on the development of bipolar host materials. A series of imidazolyl‐phenylcarbazole‐based host materials, i. e., im‐CzP, im‐CzPCz, im‐CzPtBu, and im‐OCzP, were synthesized to obtain high‐efficiency green and red‐emitting PhOLEDs. With im‐OCzP as the host, satisfactory peak efficiencies of 22.2 (77.0 cd A−1 and 93.1 lm W−1) and 14.1 % (9.0 cd A−1 and 10.1 lm W−1) could be obtained, respectively. To further improve the performance of the devices, an electron transport material, bis‐4,6‐(3,5‐di‐3‐pyridylphenyl)‐2‐methylpyrimidine (B3PyMPM) was selected to construct a co‐hosted system. The efficiency of im‐OCzP combined with B3PyMPM forming co‐hosts could also achieve high values of 23.0 (80.0 cd A−1 and 98.8 lm W−1) and 16.5 % (10.2 cd A−1 and 13.4 lm W−1) for green and red PhOLEDs, respectively. These results exhibited that the proposed bipolar hosts have great flexibility in adjusting the carrier balance of EML in OLEDs, demonstrating their ingenious design and high potential.
Pivotal Role of Holes in Photocatalytic CO2 Reduction on TiO2
Authors: Moustakas Nikolaos G. , Lorenz Felix , Dilla Martin , Peppel Tim , Strunk Jennifer 
Published: November 2021

AbstractEvidence is provided that in a gas‐solid photocatalytic reaction the removal of photogenerated holes from a titania (TiO2) photocatalyst is always detrimental for photocatalytic CO2 reduction. The coupling of the reaction to a sacrificial oxidation reaction hinders or entirely prohibits the formation of CH4 as a reduction product. This agrees with earlier work in which the detrimental effect of oxygen‐evolving cocatalysts was demonstrated. Photocatalytic alcohol oxidation or even overall water splitting proceeds in these reaction systems, but carbon‐containing products from CO2 reduction are no longer observed. H2 addition is also detrimental, either because it scavenges holes or because it is not an efficient proton donor on TiO2. The results are discussed in light of previously suggested reaction mechanisms for photocatalytic CO2 reduction. The formation of CH4 from CO2 is likely not a linear sequence of reduction steps but includes oxidative elementary steps. Furthermore, new hypotheses on the origin of the required protons are suggested.
Joint Venture of Metal Cluster and Amphiphilic Cationic Minidendron Resulting in Near Infrared Emissive Lamellar Ionic Liquid Crystals
Authors: Ebert Max , Carrasco Irene , Dumait Noée , Frey Wolfgang , Baro Angelika , Zens Anna , Lehmann Matthias , Taupier Gregory , Cordier Stephane , Jacques Emmanuel , Molard Yann , Laschat Sabine 
Published: November 2021

AbstractInorganic red‐NIR emissive materials are particularly relevant in many fields like optoelectronic, bioimaging or solar cells. Benefiting from their emission in devices implies their integration in easy‐to‐handle materials like liquid crystals, whose long‐range ordering and self‐healing abilities could be exploited and influence emission. Herein, we present red‐NIR emissive hybrid materials obtained with phosphorescent octahedral molybdenum cluster anions electrostatically associated with amphiphilic guanidinium minidendrons. Polarized optical microscopy and X‐ray analysis show that while the minidendron chloride salts self‐organize into columnar phases, their association with the dianionic metal cluster leads to layered phases. Steady‐state and time‐resolved emission investigations demonstrate the influence of the minidendron alkyl chain length on the phosphorescence of the metal cluster core.
Preparation of Polyfunctionalized Aromatic Nitriles from Aryl Oxazolines
Authors: Hess A. , Guelen H. C. , Alandini N. , Mourati A. , Guersoy Y. C. , Knochel P. 
Published: November 2021

AbstractA selective ortho,ortho’‐functionalization of readily available aryl oxazolines by two successive magnesiations with sBu2Mg in toluene followed by trapping reactions with electrophiles, such as (hetero)aryl iodides or bromides, iodine, tosyl cyanide, ethyl cyanoformate or allylic bromides (39 examples, 62–99 % yield) is reported. Treatment of these aryl oxazolines with excess oxalyl chloride and catalytic amounts of DMF (50 °C, 4 h) provided the corresponding nitriles (36 examples, 73–99 % yield). Conversions of these nitriles to valuable heterocycles are reported, and a tentative mechanism is proposed.
Label ranking‐based recommendation system to rank crops for agroecological units
Authors: Suchithra Marathezhath Subramanian , Pai Maya L. 
Published: November 2021

AbstractData mining and machine learning techniques help to predict suitable crops in ranking order for a given location with its soil nutrient status. We proposed a tuned bagging‐based K‐nearest neighbor ensemble label ranker and it is used to predict the ranked crops for density‐based spatial clustering of applications with noise (DBSCAN) based compressed crop‐ranked agricultural data. This ensemble integrates the commonly used Borda rank aggregation method, but there is a possibility to improve the performance of our proposed algorithm by selecting the most suitable rank aggregation based on the improvement in the label ranked dataset. The results of the study show that Copeland performed better than Borda aggregation with a 6.65% improvement in the performance of our algorithm, while it is 5.16% for Borda. The voting rule selection (VRS) is also integrated into our study with dataset‐level and instance‐level learning on crop‐ranked datasets. VRS and Copeland aggregation methods shared the first rank position with 46.14% and 45.67% improvement in the ranked datasets. The instance‐level winning percentage of crop ranked data for VRS, Copeland, and Borda is 61.44%, 56.23%, and 47.81%, respectively. This study has observed that in the case of a tuned K‐nearest neighbor label ranking algorithm, the VRS and Copeland voting rule performs better than Borda.