bluuebunny/crossref_metadata_2025_split huggingface dataset:
Humidity‐Induced Nanoscale Restructuring in PEDOT:PSS and Cellulose Nanofibrils Reinforced Biobased Organic Electronics
Authors: Brett Calvin J. , Forslund Ola K. , Nocerino Elisabetta , Kreuzer Lucas P. , Widmann Tobias , Porcar Lionel , Yamada Norifumi L. , Matsubara Nami , Månsson Martin , Müller‐Buschbaum Peter , Söderberg L. Daniel , Roth Stephan V. 
Published: May 2021

AbstractIn times where research focuses on the use of organic polymers as a base for complex organic electronic applications and improving device efficiencies, degradation is still less intensively addressed in fundamental studies. Hence, advanced neutron scattering methods are applied to investigate a model system for organic electronics composed of the widely used conductive polymer blend poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) together with nanocellulose as flexible reinforcing template material. In particular, the impact of relative humidity (RH) on the nanostructure evolution is studied in detail. The implications are discussed from a device performance point of view and the changing nanostructure is correlated with macroscale physical properties such as conductivity. The first humidification (95% RH) leads to an irreversible decrease of conductivity. After the first humidification cycle, however, the conductivity can be reversibly regained when returning to low humidity values (5% RH), which is important for device manufacturing. This finding can directly contribute to an improved usability of emerging organic electronics in daily live.
Ultrahigh‐Energy‐Density Flexible Lithium‐Metal Full Cells based on Conductive Fibrous Skeletons
Authors: Kim Seung‐Hyeok , Kim Nag‐Young , Choe Ui‐Jin , Kim Ju‐Myung , Lee Young‐Gi , Lee Sang‐Young 
Published: May 2021

AbstractDespite extensive studies on lithium‐metal batteries (LMBs) that have garnered considerable attention as a promising high‐energy‐density system beyond current state‐of‐the‐art lithium‐ion batteries, their application to flexible power sources is staggering due to the difficulty in simultaneously achieving electrochemical sustainability and mechanical deformability. To address this issue, herein, a new electrode architecture strategy based on conductive fibrous skeletons (CFS) is proposed. Lithium is impregnated into nickel/copper‐deposited conductive poly(ethylene terephthalate) nonwovens via electrochemical plating, resulting in self‐standing CFS–Li anodes. The CFS–Li anodes exhibit stable Li plating/stripping cyclability and mechanical deformability. To achieve high‐capacity flexible cathodes, over‐lithiated layered oxide (OLO) particles are compactly embedded in conductive heteronanomats (fibrous mixtures of multiwalled carbon nanotubes and functional polymer nanofibers). The conductive heteronanomats, as CFS of OLO cathodes, provide bicontinuous electron/ion conduction pathways without heavy metallic current collectors and chelate metal ions dissolved from OLO, thus improving the areal capacity, redox kinetics, and cycling retention. Driven by the attractive characteristics of the CFS–Li anodes and CFS–OLO cathodes, the resulting CFS–LMB full cells provide improvements in the cyclability, rate performance, and more notably, (cell‐based) gravimetric/volumetric energy density (506 Wh kgcell−1/765 Wh Lcell−1) along with the exceptional mechanical flexibility.
Good practices for Bayesian optimization of high dimensional structured spaces
Authors: Siivola Eero , Paleyes Andrei , González Javier , Vehtari Aki 
Published: May 2021

AbstractThe increasing availability of structured but high dimensional data has opened new opportunities for optimization. One emerging and promising avenue is the exploration of unsupervised methods for projecting structured high dimensional data into low dimensional continuous representations, simplifying the optimization problem and enabling the application of traditional optimization methods. However, this line of research has been purely methodological with little connection to the needs of practitioners so far. In this article, we study the effect of different search space design choices for performing Bayesian optimization in high dimensional structured datasets. In particular, we analyses the influence of the dimensionality of the latent space, the role of the acquisition function and evaluate new methods to automatically define the optimization bounds in the latent space. Finally, based on experimental results using synthetic and real datasets, we provide recommendations for the practitioners.
Evaluation of sleep‐disordered breathing and its relationship with respiratory parameters in children with mucopolysaccharidosis Type IVA and VI
Authors: Ademhan Tural Dilber , Emiralioglu Nagehan , Dogru Deniz , Ozsezen Beste , Ipek Omer Faruk , Sunman Birce , Nayir Buyuksahin Halime , Guzelkas Ismail , Ciki Kismet , Kilic Kubra , Vardar Yagli Naciye , Yalcin Ebru , Kiper Nural , Sivri Serap , Ozcelik Ugur 
Published: May 2021

AbstractThe aims of the study were to evaluate the prevalence of sleep‐disordered breathing (SDB) by using polysomnography (PSG) in children with MPS IVA and MPS VI who underwent enzyme replacement therapy (ERT) and to analyze the effect on SDB of having upper airway surgery, pulmonary functions, and exercise capacity. A retrospective cross‐sectional study was conducted on patients with MPS IVA (n:17) and MPS VI (n:11) aged under 19 years who underwent polysomnography. Descriptive and nonparametric analyses were performed for demographic, PSG, pulmonary function and exercise capacity variables. The frequency of sleep apnea in the study sample was 85.7% (24/28). Four patients (14.3%) had no sleep apnea, 15 (53.6%) had mild, and nine (32.1%) had moderate‐to‐severe sleep apnea. Two patients (7.1%) had central sleep apnea and 22 had obstructive sleep apnea (OSA) (78.6%). Forced expiratory volume in 1 s (FEV1) and forced vital capacity (FVC) were negatively correlated to apnea‐hypopnea index (AHI) (r = −0.594, p = .009; r = −0.636, p = .005, respectively). Despite ERT and previous upper airway surgery, the prevalence of OSA was high in patients with MPS IVA–MPS IV, emphasizing the importance of PSG screening for sleep disorders. Pulmonary function tests may be useful for predicting sleep apnea in patients with MPS IVA and MPS VI.
Congenital defects of glycosylation: Novel presentations with mainly neurological involvement and variable dysmorphic features
Authors: İnci Aslı , Cengiz Başak , Biberoğlu Gürsel , Okur İlyas , Arhan Ebru , Öner Ali Yusuf , Kasapkara Çiğdem Seher , Küçükçongar Aynur , Tümer Leyla , Ezgu Fatih 
Published: May 2021

AbstractThe pathophysiology of congenital defects of glycosylation (CDG) is complex and the diagnosis has been a challenge because of the overlapping clinical signs and symptoms as well as a large number of disorders. Isoelectric focusing of transferrin has been used as a screening method but has limitations. Individual enzyme or molecular genetic tests have been difficult to perform. In this study, we aimed to describe CDG patients who were referred to from different departments either without a preliminary diagnosis or suspected to have a genetic disorder other than CDG. The patients were diagnosed mainly with a 450 gene next‐generation DNA sequencing panel for inborn errors of metabolism, which also included 25 genes for CDG. A total of 862 patients were investigated with the panel, whereby homozygous (10) or compound heterozygous (4) mutations were found in a total of 14 (1.6%) patients. A total of 13 different mutations were discovered, 10 of them being novel. Interestingly, none of the patients was suspected to have a CDG before referral. This report expands the clinical/laboratory findings in patients with CDG and stresses on the fact that CDG should be in the differential list for pediatric patients presented with nonspecific dysmorphic features and neurological delays/regression. Also, next‐generation DNA sequencing with panel approach was noticed to have a significant diagnostic potential in patients presented with nonspecific neurologic and dysmorphic findings.
A Monomer‐Polymer‐Monomer (MPM) Organic Synthesis Strategy: Synthesis and Application of Polybenzofuran for Functionalizing Benzene Ring of Benzofuran
Authors: Lu Le , Hua Ruimao 
Published: May 2021

AbstractTo realize benzene ring functionalization of benzofuran (BF) via electrophilic aromatic substitution (SEAr) reaction, a concise monomer‐polymer‐monomer (MPM) organic synthesis strategy is designed. It involves the steps of preparation of organic solvent‐soluble and linear polybenzofuran (PBF) from BF, SEAr reaction of PBF, and subsequent thermal depolymerization to produce 5‐substituted BF. This consequent transformation not only presents an unusual concept for functionalizing the benzene ring of benzofuran by MPM synthetic method, but also develops an interesting route to renewable monomer by complete decomposition of polymer. In the MPM method, 2,3‐dihydrobenzofuran is the unique structural unit in PBF, which is engaged in a SEAr reaction in solution with excellent regiochemical selectivity to install electrophiles para to the “alkoxy” group. The substituted PBFs can then undergo thermal depolymerization under nitrogen to give 5‐substituted BFs as major products. In addition, the real‐time studies on BF polymerization in 1,1,1,3,3,3‐hexafluoro‐2‐propanol (HFIP) catalyzed by trifluoro‐methanesulfonic acid (TfOH) by UV‐vis spectra can directly observe the formation of cationic π‐ and σ‐complex intermediates of BF with a protonated BF at room temperature, which is further supported by the computational results using time‐dependent density functional theory (TD‐DFT). Moreover, the results of DFT theoretical calculations can also reasonably explain the complete depolymerization of PBF to re‐produce BF with high chemoselectivity and recoverable yield.
Comparison of two human infant urine collection methods for measuring estrone‐3‐glucuronide
Authors: Chaney Carlye , Corley Margaret , Valeggia Claudia 
Published: May 2021

AbstractObjectivesCurrent human infant urine collection methods for the field are problematic for the researcher and potentially uncomfortable for the infant. In this study, we compared two minimally invasive methods for collecting infant urine: organic cotton balls and filter paper.Materials and methodsWe first collected urine from infants using the clean catch method. We then used those samples to compare the performance of filter paper and cotton ball collection protocols. We analyzed the clean catch and cotton samples using commercial estrone‐3‐glucuronide (E1G) kits and tried two different extraction methods for the filter paper. Using a paired t‐test (n = 10), we compared clean catch and cotton samples. We also compared effect sizes within and between methods.ResultsWe were unable to extract enough urine from the filter paper to successfully assay the samples for E1G. The paired t‐test revealed a statistically significant difference between the clean catch and cotton methods (t = 2.63, p‐value = 0.03). However, the effect size was small (5.91 μg/ml, n = 10, 95% CI = 3.80, 8.02) and similar to or larger than the difference seen between duplicate wells for clean catch and cotton values.DiscussionWhile this study is limited by sample size, our results indicate that filter paper is not a field‐friendly method for collecting infant urine. However, we found that organic cotton balls showed similar values to the clean catch method, and we propose this method as an alternative, minimally invasive method for study of E1G in human infant urine.
A Nature‐Inspired Metal–Organic Framework Discriminator for Differential Diagnosis of Cancer Cell Subtypes
Authors: Liu Zhengwei , Zhang Lu , Cui Tingting , Ma Mengmeng , Ren Jinsong , Qu Xiaogang 
Published: May 2021

AbstractMetabolic glycan labeling (MGL) followed by bioorthogonal chemistry provides a powerful tool for tumor imaging and therapy. However, selectively metabolic labeling of cells or tissues of interest remains a challenge. Particularly, owing to tumor heterogeneity including tumor subtypes and interpatient heterogeneity, it is far more difficult to realize tumor‐cell‐selective metabolic labeling for precise diagnosis. Inspired by nature, we designed azidosugar‐functionalized metal–organic frameworks camouflaged with cancer cell membranes to accomplish cancer‐cell‐selective MGL in vivo. With abundant receptors, this biomimetic platform not only selectively targets homotypic cells but also realizes different breast cancer subtype‐selective MGL. Moreover, the endo/lysosomal‐escaped ZIF‐8 can make azidosugar escape from lysosomes and accelerate its metabolic incorporation. This strategy also takes advantage of cancer‐tissue‐derived cell membranes, which may have huge potential for personalized diagnosis and therapy.
Superprotonic Conductivity of MOF‐808 Achieved by Controlling the Binding Mode of Grafted Sulfamate
Authors: Sharma Amitosh , Lim Jaewoong , Jeong Seok , Won Somi , Seong Junmo , Lee Seonghwan , Kim Yung Sam , Baek Seung Bin , Lah Myoung Soo 
Published: May 2021

AbstractA metal–organic framework (MOF) having superprotonic conductivity, MOF‐808, is prepared by modulating the binding mode of the sulfamate (SA) moieties grafted onto the metal clusters. The activation of the SA‐grafted MOF‐808 at 150 °C changes the binding mode of the grafted SA from monodentate to bridging bidentate, thus converting the neutral amido (‐S−NH2) moiety of the grafted SA to the more acidic cationic sulfiliminium (‐S=NH2+) moiety. Further, the acidic sulfiliminium moiety of MOF‐808‐4SA‐150 results in more efficient proton conduction than the amido moiety of MOF‐808‐4SA‐60. At 60 °C and 95 % relative humidity, MOF‐808‐4SA‐150 is found to have a proton conductivity of 7.89×10−2 S cm−1, which is more than 30‐times higher than that of MOF‐808‐4SA‐60. Moreover, this superprotonic conductivity is well maintained over 1000 cycles of conductivity measurements and for similar cyclic measurements each day for seven days.
Gram‐Scale Synthesis of Highly Efficient Rare‐Earth‐Element‐Free Red/Green/Blue Solid‐State Bandgap Fluorescent Carbon Quantum Rings for White Light‐Emitting Diodes
Authors: Meng Ting , Wang Zifei , Yuan Ting , Li Xiaohong , Li Yunchao , Zhang Yang , Fan Louzhen 
Published: May 2021

AbstractThe negative impact of rare‐earth elements (REEs) on the environment, limited supply and high cost prompt the need for REE‐free phosphor‐converted white light‐emitting diodes (LEDs). Here, we report the gram‐scale synthesis of red/green/blue solid‐state bandgap fluorescent carbon quantum rings (R/G/B‐SBF‐CQRs) with high quantum yields up to 30–46 %. This was achieved using cyano‐group‐bearing p‐phenyldiacetonitrile as precursor and forming carbon quantum rings of different diameters through the linkage of curved carbon quantum ribbons of different lengths. The results show the role of cyano groups in inducing the curvature of the carbon quantum ribbons for CQR formation and emission of stable solid‐state bandgap fluorescence. R/G/B‐SBF‐CQRs‐phosphor‐based LEDs emitted warm white light with low CCT (3576 K), high CRI (96.6), and high luminous efficiency (48.7 lm W−1), comparable to REE‐phosphor‐based LEDs.
Collective Vibrational Strong Coupling Effects on Molecular Vibrational Relaxation and Energy Transfer: Numerical Insights via Cavity Molecular Dynamics Simulations**
Authors: Li Tao E. , Nitzan Abraham , Subotnik Joseph E. 
Published: May 2021

AbstractFor a small fraction of hot CO2 molecules immersed in a liquid‐phase CO2 thermal bath, classical cavity molecular dynamics simulations show that forming collective vibrational strong coupling (VSC) between the C=O asymmetric stretch of CO2 molecules and a cavity mode accelerates hot‐molecule relaxation. This acceleration stems from the fact that polaritons can be transiently excited during the nonequilibrium process, which facilitates intermolecular vibrational energy transfer. The VSC effects on these rates 1) resonantly depend on the cavity mode detuning, 2) cooperatively depend on Rabi splitting, and 3) collectively scale with the number of hot molecules. For larger cavity volumes, the average VSC effect per molecule can remain meaningful for up to N≈104 molecules forming VSC. Moreover, the transiently excited lower polariton prefers to relax by transferring its energy to the tail of the molecular energy distribution rather than distributing it equally to all thermal molecules. As far as the parameter dependence is concerned, the vibrational relaxation data presented here appear analogous to VSC catalysis in Fabry–Pérot microcavities.
Transformation Pathway from CdSe Magic‐Size Clusters with Absorption Doublets at 373/393 nm to Clusters at 434/460 nm
Authors: Zhu Jinming , Cao Zhaopeng , Zhu Yongcheng , Rowell Nelson , Li Yan , Wang Shanling , Zhang Chunchun , Jiang Gang , Zhang Meng , Zeng Jianrong , Yu Kui 
Published: May 2021

AbstractDivergent interpretations have appeared in the literature regarding the structural nature and evolutionary behavior for photoluminescent CdSe nanospecies with sharp doublets in optical absorption. We report a comprehensive description of the transformation pathway from one CdSe nanospecies displaying an absorption doublet at 373/393 nm to another species with a doublet at 433/460 nm. These two nanospecies are zero‐dimensional (0D) magic‐size clusters (MSCs) with 3D quantum confinement, and are labeled dMSC‐393 and dMSC‐460, respectively. Synchrotron‐based small‐angle X‐ray scattering (SAXS) returns a radius of gyration of 0.92 nm for dMSC‐393 and 1.14 nm for dMSC‐460, and indicates that both types are disc shaped with the exponent of the SAXS form factor equal to 2.1. The MSCs develop from their unique counterpart precursor compounds (PCs), which are labeled PC‐393 and PC‐460, respectively. For the dMSC‐393 to dMSC‐460 transformation, the proposed PC‐enabled pathway is comprised of three key steps, dMSC‐393 to PC‐393 (Step 1), PC‐393 to PC‐460 (Step 2 involving monomer addition), and PC‐460 to dMSC‐460 (Step 3). The present study provides a framework for understanding the PC‐based evolution of MSCs and how PCs enable transformations between MSCs.
Exceptional Electrochemical HER Performance with Enhanced Electron Transfer between Ru Nanoparticles and Single Atoms Dispersed on a Carbon Substrate
Authors: Su Panpan , Pei Wei , Wang Xiaowei , Ma Yanfu , Jiang Qike , Liang Ji , Zhou Si , Zhao Jijun , Liu Jian , Lu Gao Qing (Max) 
Published: May 2021

AbstractPrecisely regulating the electronic structures of metal active species is highly desirable for electrocatalysis. However, carbon with inert surface provide weak metal–support interaction, which is insufficient to modulate the electronic structures of metal nanoparticles. Herein, we propose a new method to control the electrocatalytic behavior of supported metal nanoparticles by dispersing single metal atoms on an O‐doped graphene. Ideal atomic metal species are firstly computationally screened. We then verify this concept by deposition of Ru nanoparticles onto an O‐doped graphene decorated with single metal atoms (e.g., Fe, Co, and Ni) for hydrogen evolution reaction (HER). Consistent with theoretical predictions, such hybrid catalysts show outstanding HER performance, much superior to other reported electrocatalysts such as the state‐of‐the‐art Pt/C. This work offers a new strategy for modulating the activity and stability of metal nanoparticles for electrocatalysis processes.
Laryngectomy with a Tritube® and flow‐controlled ventilation
Authors: Bailey J. R. , Lee C. , Nouraei R. , Chapman J. , Edmond M. , Girgis M. , De Zoysa N. 
Published: May 2021

SummaryWe describe the novel use of the TriTube® and Evone® ventilator (Ventinova, Eindhoven, Netherlands) to facilitate curative resection of a transglottic squamous cell carcinoma. A 43‐year‐old man presented with acute laryngeal and subglottic airway obstruction secondary to a stage 4 transglottic squamous cell carcinoma. The patient underwent magnetic resonance imaging followed by a diagnostic panendoscopy. It was decided that tumour resection was appropriate and a management plan was established by a multi disciplinary team. A total laryngectomy was performed. It was determined that failure of translaryngeal tracheal intubation could be rescued with emergency surgical front‐of‐neck airway. General anaesthesia was induced using a total intravenous anaesthesia technique, oxygenation was achieved with high‐flow nasal oxygen and the airway was secured using the TriTube and flow‐controlled ventilation was delivered throughout the procedure using the Evone ventilator. This avoided an awake or emergency tracheostomy, with the associated theoretical risk of tumour seeding, allowed for excellent gas exchange throughout and permitted the surgeons to maintain a closed system during much of the procedure, including during fashioning of the stoma. When traditional laryngectomy tubes are used, this process ordinarily involves multiple extubations and apnoeic periods. Furthermore, the small subglottic tube allowed intra‐operative assessment of the extent of the subglottic tumour, facilitating curative en bloc resection.
Pelletization and attrition of CaO‐based adsorbent for CO2 capture
Authors: Zhang Hao , Jiang Tao , Yaseen Hamzah A. S. M. , Zhao Yujun , Wang Shengping , Ma Xinbin 
Published: May 2021

AbstractCaO‐based adsorbent pellets from limestone and carbide slag powder were prepared by an extrusion–spheronization method. Three types of binder and peptizer materials were introduced to improve the adsorption performance and mechanical properties of adsorbent pellets. Weibull statistics was employed to analyze the compressive stress of adsorbent pellets. The results revealed that pseudo‐boehmite and nitric acid were the favorable choice of binder and peptizer for preparing CaO‐based adsorbent pellets with enhanced chemical and mechanical properties. The addition of pseudo‐boehmite (PB) improved the pore distribution characteristics by increasing the pores within 10–100 nm, and the addition of nitric acid brought favorable mechanical reliability by providing a large amount of H+, thereby interacting with multiple PB particles to form a network structure. It was shown that when 3 wt.% pseudo‐boehmite and 15 wt.% nitric acid were used, the favorable performance of the molding pellets could be obtained (carbonation conversion: 36%, compressive stress: 25.3 MPa; attrition rate: 0.46 wt.%/hr), which had promising prospects for practical CO2 removal.
Preparation and characterization of microcellular foamed thermoplastic polyamide elastomer composite consisting of EVA/TPAE1012
Authors: Huang Guotao , Li Suyuan , Li Yucai , Wu Xin , Feng Xinxing , Gui Yuan , Deng Jianping , Wang Cao , Pan Kai 
Published: May 2021

AbstractThermoplastic polyamide elastomer (TPAE) is a kind of high‐performance elastomers prepared from nylon hard segments and polyether or polyester soft segments. The hard segments endow TPAE with excellent mechanical properties, while the soft segments provide the desired elasticity. Therefore, the development of TPAE as a high‐performance foam material has broad application prospects. In this work, ethylene‐vinyl acetate copolymer/polyamide‐1012 elastomer (EVA/TPAE1012) composite materials with different compositions were prepared, using ethylene‐vinyl acetate /maleic anhydride graft copolymer (EVA‐g‐MAH) as compatibilizer. Then, EVA/TPAE foamed materials were fabricated by chemical foaming method and batch foaming process, with azodicarbonamide as blowing agent. The resulting composite foams were tested in terms of density, cell properties hardness, resilience, compression recovery, and mechanical strength. The EVA/TPAE1012 foam has a low density (0.14 g cm−3), small cell size (approximately 62.1 μm), and a high cell density (3.08 × 107 cells cm−3). Compared with pure EVA foam, the composite foam not only has an increase in specific strength, resilience and tearing strength, but also has good toughness, which greatly improves the resulting foams' expansion ratio and elongation at break.