bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Vertical PN Diode Constructed of MoS2/CsPbBr3 Heterostructure for High‐Performance Optoelectronics
Authors: Xu Jiao , Li Jing , Wang Hengshan , He Chengyu , Li Jianliang , Bao Yanan , Tang Huayi , Luo Huaidong , Liu Xiaochi , Yang Yiming 
Published: December 2021

AbstractTo boost the performance of perovskite‐based optoelectronic devices, 2D materials, which have high carrier mobilities and diverse band structures, are preferably chosen to integrate with perovskites. Up to now, 2D materials/perovskites heterostructured photodetectors are commonly based on parallel or lateral heterojunction. The former usually confronts the problem of large dark current, and the latter's optoelectronic performance is hard to be further improved, limited to the large resistance of perovskites. Here, a vertical PN diode, based on MoS2/CsPbBr3 heterostructure, is demonstrated, where the CsPbBr3 is sandwiched by MoS2 and bottom Au electrode, and carriers’ transit distance in CsPbBr3 is hence shortened to flake's thickness. Due to appropriate band alignment between MoS2 and CsPbBr3, efficient carriers’ separation and transfer at junction area are confirmed by scanning photocurrent microscopy. The influence of thickness of MoS2 and CsPbBr3 on light absorption is simulated with finite‐difference time‐domain method. The vertical PN diode shows remarkable optoelectronic figures‐of‐merit, including large photoresponsivity (1.51 A W−1), low dark current (≈10−13 A), and fast response (34/39 mS). In addition, when operated at VD = 0 V, the device still exhibits distinct power‐dependent response, indicating its potentiality for self‐powered photodetection.
4D Printing of Plasmon‐Encoded Tunable Polydimethylsiloxane Lenses for On‐Field Microscopy of Microbes
Authors: Mariani Stefano , Corsi Martina , Paghi Alessandro , La Mattina Antonino A. , Strambini Lucanos , Frontini Francesco P. , Giuseppe Graziano Di , Barillaro Giuseppe 
Published: December 2021

AbstractHere the 4D printing of a magnifying polydimethylsiloxane (PDMS) lens encoded with a tunable plasmonic rejection filter is reported. The lens is formed by moldless printing of PDMS pre‐polymer on a nanostructured porous silicon (PSi) templating layer. A nanometer‐thick plasmonic filter is integrated on the lens surface by in situ synthesis of Ag and Au nanoparticles (NPs) with programmed density. The filter can be designed to reject light at the plasmonic resonance wavelength of the NPs with an optical density tunable from 0 to 3 and retreive light at longer wavelengths with a pass‐to‐stop band ratio tunable from 0 to 60 dB. Swelling of PDMS in hexane and ether is used to change the NP density on the lens surface and modulate, in turn, the transmittance properties of the NP‐decorated lens over 3 orders of magnitude. The plasmon‐encoded lens is coupled to a commercial smartphone demonstrating: shaping of the emission spectrum of a white light‐emitting diode to tune the color from yellow to purple; real‐time bright‐field and fluorescence microscopy of living microbes in water, namely, the auto‐fluorescent green alga Chlorogonium sp. and the ciliated protozoan Euplotes daidaleos.
Surface‐Dependent Properties and Tunable Photodetection of CsPbBr3 Microcrystals Grown on Functional Substrates
Authors: Abiedh Khouloud , Dhanabalan Balaji , Kutkan Seda , Lauciello Simone , Pasquale Lea , Toma Andrea , Salerno Marco , Arciniegas Milena P. , Hassen Fredj , Krahne Roman 
Published: December 2021

AbstractAll‐inorganic metal halide perovskites are highly attractive materials for optoelectronics and are typically implemented as thin films, nanocrystals, and single crystals with macroscopic and millimeter‐size dimensions. Single crystals with regular shapes in the micrometer range are less explored and present an interesting alternative when a well‐defined and spatially localized response is desired. Here, CsPbBr3 microcrystals are fabricated by simple and fast drop‐casting of a precursor solution on several substrates that for the growth process are heated to temperatures in the range from 80 to 150 °C. The microcrystals have a cubic shape and feature a pyramidal cavity on their top surface that forms due to faster growth at the edges once the growing crystal is attached to the substrate. Distinct heterogeneity in the photoluminescence (PL) and conductivity of the different facets are measured by µ‐PL and conductive atomic force microscopy experiments. Toward device applications, the authors contact single microcrystals on conductive substrates mechanically with a micromanipulator tip. They observe diode‐like current–voltage curves and good photodetector functionality, obtaining a high responsivity of 150–300 A W−1 in the blue–green spectral region under forward bias, and a sharp detection band centered around 540 nm with peak responsivity close to 0.7 A W−1 under reverse bias.
LectinOracle: A Generalizable Deep Learning Model for Lectin–Glycan Binding Prediction
Authors: Lundstrøm Jon , Korhonen Emma , Lisacek Frédérique , Bojar Daniel 
Published: December 2021

AbstractRanging from bacterial cell adhesion over viral cell entry to human innate immunity, glycan‐binding proteins or lectins are abound in nature. Widely used as staining and characterization reagents in cell biology and crucial for understanding the interactions in biological systems, lectins are a focal point of study in glycobiology. Yet the sheer breadth and depth of specificity for diverse oligosaccharide motifs has made studying lectins a largely piecemeal approach, with few options to generalize. Here, LectinOracle, a model combining transformer‐based representations for proteins and graph convolutional neural networks for glycans to predict their interaction, is presented. Using a curated data set of 564,647 unique protein–glycan interactions, it is shown that LectinOracle predictions agree with literature‐annotated specificities for a wide range of lectins. Using a range of specialized glycan arrays, it is shown that LectinOracle predictions generalize to new glycans and lectins, with qualitative and quantitative agreement with experimental data. It is further demonstrated that LectinOracle can be used to improve lectin classification, accelerate lectin directed evolution, predict epidemiological outcomes in the context of influenza virus, and analyze whole lectomes in host–microbe interactions. It is envisioned that the herein presented platform will advance both the study of lectins and their role in (glyco)biology.
Dual‐Metal Atom Electrocatalysts: Theory, Synthesis, Characterization, and Applications
Authors: Pedersen Angus , Barrio Jesús , Li Alain , Jervis Rhodri , Brett Dan J. L. , Titirici Maria Magdalena , Stephens Ifan E. L. 
Published: December 2021

AbstractElectrochemical clean energy conversion and the production of sustainable chemicals are critical in the journey to realizing a truly sustainable society. To progress electrochemical storage and conversion devices to commercialization, improving the electrocatalyst performance and cost are of utmost importance. Research into dual‐metal atom catalysts (DACs) is rising in prominence due to the advantages of these sites over single‐metal atom catalysts (SACs), such as breaking scaling relationships for the adsorption energy of reaction intermediates and synergistic effects. This review provides an examination of the fundamental theoretical principles and experimental electrochemical performance of DACs in idealized half cells, as well as fuel cells, before proceeding to analyze the methods used for producing and identifying DACs. Current challenges and potential future research directions of DACs are also discussed.
Rechargeable Batteries of the Future—The State of the Art from a BATTERY 2030+ Perspective
Authors: Fichtner Maximilian , Edström Kristina , Ayerbe Elixabete , Berecibar Maitane , Bhowmik Arghya , Castelli Ivano E. , Clark Simon , Dominko Robert , Erakca Merve , Franco Alejandro A. , Grimaud Alexis , Horstmann Birger , Latz Arnulf , Lorrmann Henning , Meeus Marcel , Narayan Rekha , Pammer Frank , Ruhland Janna , Stein Helge , Vegge Tejs , Weil Marcel 
Published: December 2021

AbstractThe development of new batteries has historically been achieved through discovery and development cycles based on the intuition of the researcher, followed by experimental trial and error—often helped along by serendipitous breakthroughs. Meanwhile, it is evident that new strategies are needed to master the ever‐growing complexity in the development of battery systems, and to fast‐track the transfer of findings from the laboratory into commercially viable products. This review gives an overview over the future needs and the current state‐of‐the art of five research pillars of the European Large‐Scale Research Initiative BATTERY 2030+, namely 1) Battery Interface Genome in combination with a Materials Acceleration Platform (BIG‐MAP), progress toward the development of 2) self‐healing battery materials, and methods for operando, 3) sensing to monitor battery health. These subjects are complemented by an overview over current and up‐coming strategies to optimize 4) manufacturability of batteries and efforts toward development of a circular battery economy through implementation of 5) recyclability aspects in the design of the battery.
How long does a transvaginal ultrasound examination for endometriosis take in comparison to a routine transvaginal ultrasound examination?
Authors: Deslandes Alison , Parange Nayana , Childs Jessie T. , Osborne Brooke , Panuccio Catrina , Croft Anthea , Bezak Eva 
Published: December 2021

AbstractIntroductionThis study aimed to determine the additional time needed to perform an endometriosis transvaginal ultrasound (eTVUS) compared to routine transvaginal ultrasound (rTVUS).MethodsA retrospective case–control study was performed. The study group included 199 eTVUS performed between September 2019 and September 2020. The control group comprised 105 consecutive rTVUS studies performed in the same time period. The time stamps on the ultrasound images of all cases in both groups were reviewed to determine the time taken to perform each study. Mean, median, minimum and maximum scan times for both groups were calculated as was percentage difference between scan times. A two‐tailed, unpaired t‐test of the normalised data and a Mann–Whitney U test assessing time difference of scans between two groups were performed with P value <0.05 considered statistically significant.ResultsPerforming eTVUS took significantly longer than rTVUS with increases in the mean (8.4 vs 13.8 min, 64%), median (7 vs 12 min, 71%), minimum (4 vs 7 min, 75%) and maximum (19 vs 42 min, 121%) scan times. The Mann–Whitney U test indicated a statistically significant difference in the median scan times (5.0, CI 4.0–6.0), P < 0.001. An independent t‐test of the normalised data revealed a significantly larger mean scan time for eTVUS than rTVUS, Mean = 9.05 95%CI [13.17–4.94], t(302) = 4.327, P < 0.001.R2= 0.583.ConclusionEndometriosis transvaginal ultrasound added an average 5.4 min to rTVUS, which is statistically significant. For ultrasound departments wanting to offer this technique, doubling the scan time allocated to perform a transvaginal ultrasound (TVUS) is suggested.
Alzheimer's disease biomarkers in Black and non‐Hispanic White cohorts: A contextualized review of the evidence
Authors: Gleason Carey E. , Zuelsdorff Megan , Gooding Diane C. , Kind Amy J. H. , Johnson Adrienne L. , James Taryn T. , Lambrou Nickolas H. , Wyman Mary F. , Ketchum Fred B. , Gee Alexander , Johnson Sterling C. , Bendlin Barbara B. , Zetterberg Henrik 
Published: December 2021

AbstractBlack Americans are disproportionately affected by dementia. To expand our understanding of mechanisms of this disparity, we look to Alzheimer's disease (AD) biomarkers. In this review, we summarize current data, comparing the few studies presenting these findings. Further, we contextualize the data using two influential frameworks: the National Institute on Aging–Alzheimer's Association (NIA‐AA) Research Framework and NIA's Health Disparities Research Framework. The NIA‐AA Research Framework provides a biological definition of AD that can be measured in vivo. However, current cut‐points for determining pathological versus non‐pathological status were developed using predominantly White cohorts—a serious limitation. The NIA's Health Disparities Research Framework is used to contextualize findings from studies identifying racial differences in biomarker levels, because studying biomakers in isolation cannot explain or reduce inequities. We offer recommendations to expand study beyond initial reports of racial differences. Specifically, life course experiences associated with racialization and commonly used study enrollment practices may better account for observations than exclusively biological explanations.
A Nanographene‐Based Two‐Dimensional Covalent Organic Framework as a Stable and Efficient Photocatalyst
Authors: Jin Enquan , Fu Shuai , Hanayama Hiroki , Addicoat Matthew A. , Wei Wenxin , Chen Qiang , Graf Robert , Landfester Katharina , Bonn Mischa , Zhang Kai A. I. , Wang Hai I. , Müllen Klaus , Narita Akimitsu 
Published: December 2021

AbstractSynthesis of covalent organic frameworks (COFs) with desirable organic units furnishes advanced materials with unique functionalities. As an emerging class of two‐dimensional (2D) COFs, sp2‐carbon‐conjugated COFs provide a facile platform to build highly stable and crystalline porous polymers. Herein, a 2D olefin‐linked COF was prepared by employing nanographene, namely, dibenzo[hi,st]ovalene (DBOV), as a building block. The DBOV‐COF exhibits unique ABC‐stacked lattices, enhanced stability, and charge‐carrier mobility of ≈0.6 cm2 V−1 s−1inferred from ultrafast terahertz photoconductivity measurements. The ABC‐stacking structure was revealed by the high‐resolution transmission electron microscopy and powder X‐ray diffraction. DBOV‐COF demonstrated remarkable photocatalytic activity in hydroxylation, which was attributed to the exposure of narrow‐energy‐gap DBOV cores in the COF pores, in conjunction with efficient charge transport following light absorption.
Catalysis‐Enabled Concise and Stereoselective Total Synthesis of the Tricyclic Prostaglandin D2 Metabolite Methyl Ester
Authors: Sims Hunter S. , de Andrade Horn Pedro , Isshiki Ryota , Lim Melissa , Xu Yan , Grubbs Robert H. , Dai Mingji 
Published: December 2021

AbstractA concise and stereoselective total synthesis of the clinically relevant tricyclic prostaglandin D2 metabolite (tricyclic‐PGDM) methyl ester in racemic form was accomplished in eight steps from a readily available known cyclopentene‐diol derivative. The synthesis features a nickel‐catalyzed Ueno–Stork‐type dicarbofunctionalization to generate two consecutive stereocenters, a palladium‐catalyzed carbonylative spirolactonization to build the core oxaspirolactone, and a Z‐selective cross‐metathesis to introduce the (Z)‐3‐butenoate side chain, a group challenging to introduce through traditional Wittig protocols and troublesome for the two previous total syntheses. A general Z‐selective cross‐metathesis protocol to construct (Z)‐β,γ‐unsaturated esters was also developed that has broad functional group tolerance and high stereoselectivity. Additionally, our synthesis already accumulated 75 mg of valuable material for an 18O‐tricyclic‐PGDM‐based assay used in clinical settings for inflammation.
Asymmetrical‐Dendronized TADF Emitters for Efficient Non‐doped Solution‐Processed OLEDs by Eliminating Degenerate Excited States and Creating Solely Thermal Equilibrium Routes
Authors: Li Chensen , Harrison Alastair K. , Liu Yuchao , Zhao Zhennan , Zeng Cheng , Dias Fernando B. , Ren Zhongjie , Yan Shouke , Bryce Martin R. 
Published: December 2021

AbstractThe mechanism of thermally activated delayed fluorescence (TADF) in dendrimers is not clear. We report that fully‐conjugated or fully‐nonconjugated structures cause unwanted degenerate excited states due to multiple identical dendrons, which limit their TADF efficiency. We have synthesized asymmetrical “half‐dendronized” and “half‐dendronized‐half‐encapsulated” emitters. By eliminating degenerate excited states, the triplet locally excited state is ≥0.3 eV above the lowest triplet charge‐transfer state, assuring a solely thermal equilibrium route for an effective spin‐flip process. The isolated encapsulating tricarbazole unit can protect the TADF unit, reducing nonradiative decay and enhancing TADF performance. Non‐doped solution‐processed devices reach a high external quantum efficiency (EQEmax) of 24.0 % (65.9 cd A−1, 59.2 lm W−1) with CIE coordinates of (0.24, 0.45) with a low efficiency roll‐off and EQEs of 23.6 % and 21.3 % at 100 and 500 cd m−2.
One‐Pot Construction of Sulfur‐Rich Thermoplastic Elastomers Enabled by Metal‐Free Self‐Switchable Catalysis and Air‐Assisted Coupling
Authors: Zhu Xiao‐Feng , Yang Guan‐Wen , Xie Rui , Wu Guang‐Peng 
Published: December 2021

AbstractConstruction of well‐defined sulfur‐rich macromolecules in a facile manner is an interesting but challenging topic. Herein, we disclose how to readily construct well‐defined triblock sulfur‐rich thermoplastic elastomers via a self‐switchable isothiocyanate/episulfide copolymerization and air‐assisted oxidative coupling strategy. During self‐switchable polymerization, alternating copolymerization of isothiocyanate and episulfide occurs initially due to the lower energy barrier for isothiocyanate insertion with respect to successive episulfide ring‐opening. After exhaustion of isothiocyanate, ring‐opening polymerization of episulfide begins, providing diblock polymers. Subsequent exposure of the reaction to air leads to a transformation of diblock copolymers into triblock thermoplastic elastomers. This protocol can be extended to diverse isothiocyanates and episulfides, allowing fine‐tuning of the performance of the produced sulfur‐rich thermoplastic elastomers.
COVID‐19 infection in a child following liver transplantation
Authors: Sindwani G. , Abhinaya S. V. , Arora M. K. , Pamecha V. , Lal B. B. 
Published: December 2021

SummaryCOVID‐19 infection immediately after liver transplantation presents a unique and challenging situation. In this report, we present the case of an 11‐year‐old girl who underwent emergency living donor liver transplantation for acute liver failure. After an uneventful intra‐operative course, the patient was transferred to the intensive care unit. On the second postoperative day, the patient developed unexplained severe hypoxia. A polymerase chain reaction test was positive for SARS‐CoV‐2 virus and a hypercoagulable state was indicated by laboratory investigations. Despite therapies such as mechanical ventilation and therapeutic anticoagulation, further clinical deterioration occurred. On the seventh postoperative day, the patient’s pupils were fully dilated bilaterally and unreactive to light, and brain death was later confirmed. This report highlights unique challenges pertaining to oxygenation, coagulation and immunosuppression after liver transplantation in a child with COVID‐19. Hypoxia of unknown origin in the postoperative period should prompt consideration of COVID‐19 as a possible cause.
Structural characterization, spectroscopic studies, and molecular docking studies on metal complexes of new hexadentate cyclic peptide ligand
Authors: Moustafa Gaber , Sabry Eman , Zayed Ehab M. , Mohamed Gehad G. 
Published: December 2021

New cyclic peptide ligand (L), 4,7,17,20‐tetrabenzyl‐2,5,8,16,19,22‐hexaoxo‐3,6,9,15,18,21‐hexaaza‐1(1,3)‐benzenacyclodocosaphane‐10‐carboxylic acid (BOABCA), was prepared using the recommended method. The ligand (L) and its complexes have been proven by using elemental analyses, molar conductivity, and magnetic moment measurements. The structural properties of the title compounds were explored using spectroscopy (1H NMR, ultraviolet [UV]–visible, and Fourier transform infrared [FT‐IR]) and mass spectrometry. The thermal decomposition of the ligand and its complexes are measured by thermal analysis (thermogravimetry [TG] and derivative thermogravimetry [DTG]) technique. The ligand (L) acts as neutral hexadentate with NNOOOO coordination sites and coordinating to the metal ions via the two nitrogen and four oxygen atoms. Bond lengths, bond angles, and quantum chemical characteristics have been established for the ligand and its complexes. The scanning electron microscope (SEM) analysis confirmed the presence of Fe(III) and Ni(II) complexes in nanostructure. The structural formula for the examined cyclic peptide ligand was optimized using Gaussian09 program. The energy gaps and other relevant theoretical parameters were computed applying the DFT/B3LYP technique. Antibacterial properties of the BOABCA ligand (L) and its transition metal complexes have been evaluated. In vitro biological properties for BOABCA ligand (L) and its transition metal complexes were carried out against Gram(+) bacteria (Bacillis subtilis and Staphylococcus aureus) and Gram(−) bacteria (Escherichia coli and Pseudomonas aeruginosa) employing agar diffusion method. The results showed that title compounds are biologically active than the parent BOABCA ligand. Molecular docking has shown favorable interaction between the title compounds and crystal structure of 3t88‐E. coli, 3ty7‐S. aureus, 5h67‐B. subtilis, and 5i39‐P. aeruginosa receptors.
Polyacrylamide/carboxymethyl chitosan double‐network hydrogels with high conductivity and mechanical toughness for flexible sensors
Authors: Zeng Runpeng , Lu Shuxin , Qi Chuyi , Jin Lele , Xu Jinbao , Dong Zhixian , Lei Caihong 
Published: December 2021

AbstractConductive hydrogels are ideal candidate materials for flexible sensors, but the integration of satisfactory mechanical performances with high conductivity to meet the requirements for practical applications remains a challenge. Herein, a tough ionically conductive polyacrylamide (PAAm)/carboxymethyl chitosan (CMCs) double‐network (DN) hydrogel is fabricated via in situ polymerization of acrylamide in CMCs aqueous solution, followed by ferric chloride (FeCl3) solution immersing. The PAAm/CMCs‐Fe3+ DN hydrogel demonstrates satisfactory mechanical properties, including sufficient tensile strength (~440 kPa), prominent stretchability (~715%), high toughness (~1658 kJ m−3), and excellent fatigue resistance, as well as superb conductivity up to 3.1 S m−1. Moreover, the ionically conductive DN hydrogel‐based sensors exhibit high sensitivity in a broad strain window (0%–700%) and can accurately, and repeatedly monitor the motions of body joints, such as finger and wrist, exhibiting great potential in applications of flexible sensors.