bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of Coronavirus Disease 2019 on Fluorine-18 fluorodeoxyglucose Uptake of Endocrine Organs
Authors: BÜLBÜL Ogün , GÖKSEL Sibel , NAK Demet 
Published: February 2023

Objective: The new type of Coronavirus (SARS-CoV-2) damages cells by using the angiotensin converting enzyme-2 (ACE2) as a receptor to adhere and go through the cell membrane. It is known that some of the endocrine organs express ACE2 and these organs are potential targets for Coronavirus 2019 disease (Covid-19). This study aimed to investigate the effect of coronavirus disease 2019 (Covid-19) on Fluorine-18 fluorodeoxyglucose (18F-FDG) uptake of endocrine system organs.
Methods: Sixteen patients who had Covid-19 underwent 18F-FDG positron emission tomography/computed tomography (PET/CT) later, 77 patients who did not have Covid-19 underwent 18F-FDG PET/CT between March 2020-October 2021 were analyzed finally. SUVmax and SUVmean of the pituitary, thyroid, adrenal gland, pancreas, and testis measured from the PET/CT of the patients had Covid-19 were compared with SUVmax, and SUVmean measured from the same organs in PET/CT images of the patients who had not Covid-19.
Results: Pancreatic mean SUVmax was significantly higher in patients who had Covid-19 than in patients who did not (p= 0.035). Pancreatic mean SUVmean was slightly higher in patients who had Covid-19 than in patients who did not, but this difference was not statistically significant (p= 0.072). No significant difference was found between the SUVmax and SUVmean values of the pituitary gland, thyroid gland, adrenal gland, and testis in patients who had Covid-19 and did not have.
Conclusions: It was thought that the pancreas might have been affected in the course of Covid-19 due to the higher mean SUVmean values of the pancreas in patients who had Covid- 19.
Incidence, Risk, and Severity of SARS-CoV-2 Reinfections in Children and Adolescents Between March 2020 and July 2022 in Serbia
Authors: Medić Snežana , Anastassopoulou Cleo , Lozanov-Crvenković Zagorka , Dragnić Nataša , Petrović Vladimir , Ristić Mioljub , Pustahija Tatjana , Tsakris Athanasios , Ioannidis John P. A. 
Published: February 2023

ImportanceDuring the COVID-19 pandemic, children and adolescents were massively infected worldwide. In 2022, reinfections became a main feature of the endemic phase of SARS-CoV-2, so it is important to understand the epidemiology and clinical impact of reinfections.ObjectiveTo assess the incidence, risk, and severity of pediatric SARS-CoV-2 reinfection.Design, Setting, and ParticipantsThis retrospective cohort study used epidemiologic data of documented SARS-CoV-2 infections from the surveillance database of the Institute for Public Health of Vojvodina. A total of 32 524 children and adolescents from Vojvodina, Serbia, with laboratory-confirmed SARS-CoV-2 infection between March 6, 2020, and April 30, 2022, were followed up for reinfection until July 31, 2022.Main Outcomes and MeasuresIncidence rates of documented SARS-CoV-2 reinfection per 1000 person-months, estimated risk of documented reinfection 90 days or more after laboratory confirmation of primary infection, reinfection severity, hospitalizations, and deaths.ResultsThe study cohort included 32 524 children and adolescents with COVID-19 (mean [SD] age, 11.2 [4.9] years; 15 953 [49.1%] male), including 964 children (3.0%) who experienced documented reinfection. The incidence rate of documented reinfections was 3.2 (95% CI, 3.0-3.4) cases per 1000 person-months and was highest in adolescents aged 12 to 17 years (3.4; 95% CI, 3.2-3.7). Most reinfections (905 [93.9%]) were recorded in 2022. The cumulative reinfection risk was 1.3% at 6 months, 1.9% at 9 months, 4.0% at 12 months, 6.7% at 15 months, 7.2% at 18 months, and 7.9% after 21 months. Pediatric COVID-19 cases were generally mild. The proportion of severe clinical forms decreased from 14 (1.4%) in initial episodes to 3 (0.3%) in reinfections. Reinfected children were approximately 5 times less likely to have severe disease during reinfection compared with initial infection (McNemar odds ratio, 0.2; 95% CI, 0.0-0.8). Pediatric reinfections rarely led to hospitalization (0.5% vs 1.3% during primary infections), and none resulted in death.Conclusions and RelevanceThis cohort study found that the SARS-CoV-2 reinfection risk remained substantially lower for children and adolescents compared with adults as of July 2022. Pediatric infections were mild, and reinfections were even milder than primary infections.
Machine Learning Advances in Predicting Peptide/Protein‐Protein Interactions Based on Sequence Information for Lead Peptides Discovery
Authors: Ye Jiahao , Li An , Zheng Hao , Yang Banghua , Lu Yiming 
Published: February 2023

AbstractPeptides have shown increasing advantages and significant clinical value in drug discovery and development. With the development of high‐throughput technologies and artificial intelligence (AI), machine learning (ML) methods for discovering new lead peptides have been expanded and incorporated into rational drug design. Predictions of peptide–protein interactions (PepPIs) and protein–protein interactions (PPIs) are both opportunities and challenges in computational biology, which will help to better understand the mechanisms of disease and provide the impetus for the discovery of lead peptides. This paper comprehensively reviews computational models for PepPI and PPI predictions. It begins with an introduction of various databases of peptide ligands and target proteins. Then it discusses data formats and feature representations for proteins and peptides. Furthermore, classical ML methods and emerging deep learning (DL) methods that can be used to train prediction models of PepPI and PPI are classified into four categories, and their advantages and disadvantages are analyzed. To assess the relative performance of different models, different validation protocols and evaluation indexes are discussed. The goal of this review is to help researchers quickly get started to develop computational frameworks using these integrated resources and eventually promote the discovery of lead peptides.
Unveiling Spin State‐Dependent Micropollutant Removal using Single‐Atom Covalent Triazine Framework
Authors: Zhu Chao , Lu Lun , Fang Qile , Song Shuang , Chen Baoliang , Shen Yi 
Published: February 2023

AbstractSingle‐atom materials, with unique electronic structure and maximized atom utilization, have shown huge application potential in the remediation of emerging organic pollutants (EOPs), but revealing intrinsic reaction mechanisms at spin state level remains a formidable challenge. Herein, a single‐atom Ti‐loaded covalent organic framework (Ti1/CTF) is constructed for two‐stage process that involved adsorption and photocatalytic synergy, and the essential role of the electronic spin state in regulating the intrinsic activity of the material is evidenced. Spin‐polarized Ti1N3/CTF‐10 considerably enhances the adsorption capacity (453.285 µmol g−1) and degradation kinetics (2.263 h−1, 17.0‐fold faster than CTF‐0) for 2,2,4,4'‐tetrehydroxybenzophenone (BP‐2) and provides long‐term stability (93.3% BP‐2 removal in seven cycles) and favorable cost‐effectiveness (4.45 kWh∙m−3electrical energy per order) in natural water applications. Theoretical calculations and experimental results suggest that the Ti1N3moieties of single‐atom Ti bonded to pyridine and triazine N induce electron spin‐down polarization near the Fermi energy level of the active site, providing a strong dipole force and motive power for electron transfer. This study provides new insights into the adsorption, activation, and photodegradation of EOPs at the material interface from the electronic spin level and demonstrates promising solutions for water micropollution control.
Optimized TiO Subcompounds and Elastic Expanded MXene Interlayers Boost Quick Sodium Storage Performance
Authors: Lu Chengxing , Li Xingyu , Liu Ronghui , Niu Hua‐Jie , Wang Qingyan , Xiao Tingjiao , Liu Jianjun , Wang Hua , Zhou Wei 
Published: February 2023

AbstractTo develop quick‐charge sodium‐ion battery, it is significant to optimize insertion‐type anode to afford fast Na+ diffusion rate and excellent electron conductivity. First‐principles calculations reveal the TiO subcompound superiority for Na+ diffusion following Ti(II)O > Ti(III)O > Ti(IV)O. Hence, in situ growth of amorphous TiO subcompounds with rich oxygen defects based on Ti3C2Tx‐MXene is developed. Meanwhile, the composite presents expanded MXene interlayer spacing and much enhanced conductivity. The synergistic effect of enhanced electron/ion conduction gives a high capacity of 107 mAh g−1 at 50 A g−1, which gives 50% and 150% increasements compared with one counterpart without valence adjustment and another one without MXene expansion. It only needs 20 s (at 30 A g−1) to complete the discharge/charge process and obtains a capacity of 144.5 mAh g−1, which also shows a long‐term cycling stability at quick‐charge mode (121 mAh g−1 after 10000 cycles at 10 A g−1). The enhanced performance comes from fast electron transfer among TiO subcompounds contributed by rich‐defect amorphous TiO2–x, and a reversible change of elastic MXene with interlayer spacing between 1.4 and 1.9 nm during Na+ insertion/extraction process. This study provides a feasible route to boost the kinetics and develop quick‐charge sodium‐ion battery.
A dπ‐pπ Conjugated System with High Mobility and Strong Emission Simultaneously
Authors: Chen Shiyan , Cao Congcong , Yu Ziwen , Zhang Andong , Lai Xue , Peng Lixia , Hua Yuhui , Yang Liulin , Jiang Wei , Chen Dafa , Wang Zhaohui , He Feng , Xia Haiping 
Published: February 2023

AbstractStrong intermolecular interactions usually facilitate charge transport, but impede photoluminescence, therefore, the development of organic π‐conjugated materials that exhibit both semiconducting and light‐emissive properties remains challenging. Herein, a series of perylene diimide (PDI)‐based carbolong complexes with dπ‐pπ conjugation is synthesized. The resulting alcohol‐soluble products exhibit broad and strong absorption combined with outstanding electronic and optical properties, and are applied as electron transport layer materials in organic solar cells, achieving power conversion efficiencies up to 17.36%. In addition, these complexes exhibit an uncommon aggregation‐induced emission phenomenon. These results will aid in future design of π‐conjugated materials with increased functionality.
Heteroepitaxy of 2D CuCr2Te4 with Robust Room‐temperature Ferromagnetism
Authors: Wang Hao , Wen Yao , Zhao Xiaoxu , Cheng Ruiqing , Yin Lei , Zhai Baoxing , Jiang Jian , Li Zhongwei , Liu Chuansheng , Wu Fengcheng , He Jun 
Published: February 2023

AbstractMagnetic materials in 2D have attracted widespread attention for their intriguing magnetic properties. 2D magnetic heterostructures can provide unprecedented opportunities for exploring fundamental physics and novel spintronic devices. Here, the heteroepitaxial growth of ferromagnetic CuCr2Te4 nanosheets is reported on Cr2Te3 and mica by chemical vapor deposition. Magneto‐optical Kerr effect measurements reveal the thickness‐dependent ferromagnetism of CuCr2Te4 nanosheets on mica, where a decrease of Curie temperature (TC) from 320 to 260 K and an enhancement of perpendicular magnetic anisotropy with reducing thickness are observed. Moreover, lattice‐matched heteroepitaxial ultrathin CuCr2Te4 on Cr2Te3 exhibits an enhanced robust ferromagnetism with TC up to 340 K due to the interfacial charge transfer. Stripe‐type magnetic domains and single magnetic domain are discovered in this heterostructure with different thicknesses. The work provides a way to construct robust room‐temperature 2D magnetic heterostructures for functional spintronic devices.
Ultra‐fast Piezocatalysts Enabled By Interfacial Interaction of Reduced Graphene Oxide/MoS2 Heterostructures
Authors: Shen Pengfei , Yin Pei , Zou Yongtao , Li Mu , Zhang Nanqiu , Tan Dan , Zhao Haiyang , Li Quanjun , Yang Rusen , Zou Bo , Liu Bingbing 
Published: February 2023

AbstractThe catalytic activity has been investigated in 2D materials, and the unique structural and electronic properties contribute to their success in conventional heterogeneous catalysis. Heterojunction‐based piezocatalysis has attracted increasing attention due to the band‐structure engineering and the enhanced charge carrier separation by prominent piezoelectric effect. However, the piezocatalytic behavior of van der Waals (vdW) heterostructures is still unknown, and the finite active sites, catalyst poisoning, and poor conductivity are challenges for developing good piezocatalysts. Herein, a reduced graphene oxide (rGO)‐MoS2 heterostructure is rationally designed to tackle these challenges. The heterostructure shows a record‐high piezocatalytic degradation rate of 1.40 × 102 L mol−1 s−1, which is 7.86 times higher than MoS2 nanosheets. Piezoresponse force microscope measurements and density functional theory calculation reveal that the coupling between semiconductive and piezoelectric properties in the vdW heterojunction is vital to break the metallic state screening effect at the MoS2 edge for keeping the piezoelectric potential. The dynamic charges generated by MoS2 and the fast charge transfer in rGO activate and maintain catalytically active sites for pollutant degradation with an ultra‐fast rate and good stability. The working mechanism opens new avenues for developing efficient catalysts significant to wastewater treatments and other applications.
Guide to Leveraging Conducting Polymers and Hydrogels for Direct Current Stimulation
Authors: Leal José , Shaner Sebastian , Matter Lukas , Böhler Christian , Asplund Maria 
Published: February 2023

AbstractThe tunable electrical properties of conducting polymers (CPs), their biocompatibility, fabrication versatility, and cost‐efficiency make them an ideal coating material for stimulation electrodes in biomedical applications. Several biological processes like wound healing, neuronal regrowth, and cancer metastasis, which rely on constant electric fields, demand electrodes capable of delivering direct current stimulation (DCs) for long times without developing toxic electrochemical reactions. Recently, CPs such as poly(3,4‐ethylenedioxythiophene) polystyrene sulfonate (PEDOT/PSS) have demonstrated outstanding capability for delivering DCs without damaging cells in culture while not requiring intermediate buffers, contrary to the current research setups relying on noble‐metals and buffering bridges. However, clear understanding of how electrode design and CP synthesis influence DCs properties of these materials has not been provided until now. This study demonstrates that various PEDOT‐based CP coatings and hydrogels on rough electrodes can deliver DCs without substantial changes to the electrode and the noticeable development of chemical by‐products depending on the electrode area and polymer thickness. A comprehensive analysis of the tested coatings is provided according to the desired application and available resources, alongside a proposed explanation for the observed electrochemical behavior. The CPs tested herein can pave the way toward the widespread implementation of DCs as a therapeutic stimulation paradigm.
Scalable Synthesis of Self‐Disinfecting Polycationic Coatings for Hospital Relevant Surfaces
Authors: Watts Samuel , Gontsarik Mark , Lassenberger Andrea , Valentin Jules D. P. , Wolfensberger Aline , Brugger Silvio D. , Zabara Mahsa , Pronk Wouter , Salentinig Stefan 
Published: February 2023

AbstractThe prevention of microbial infections is a global challenge. Efficient antimicrobial coatings that rapidly kill microorganisms upon contact can help minimize their transmission. However, their scalable synthesis is challenging. This work demonstrates the scalable synthesis and characterization of self‐disinfecting nanofilms for the postmodification of hospital‐relevant surfaces. Their antimicrobial action is based on charge interactions between a supercharged cationic surface film and the negatively charged bacteria membrane. Photoinitiated bulk polymerization of an air‐dried [2‐(methacryloyloxy)ethyl]trimethylammonium chloride film on cotton (gowns), nitrile rubber (protective gloves), and glass surfaces (tables, screens) is used for their supercharging, and studied with streaming potential measurements. A 6 nm thick coating dominated by cationic quarternary amine groups is shown by a combination of spectroscopic imaging ellipsometry and X‐ray photoelectron spectroscopy. Antimicrobial in vitro evaluation of the coated surfaces demonstrates up to ≈4 log reductions in bacterial populations in less than 5 min. Confocal laser scanning microscopy and live‐dead staining confirm the surface‐induced killing of bacteria. The coating's range of compatible materials and its rapid bactericidal activity can combat the surface transmission of bacteria and may help to contain the spread of infectious diseases. Its synthesis in environmental conditions is promising for integration into industrial processes.
Reversible Tuning of Extrinsic 3D Chirality in Chalcogenide NonChiral Metasurfaces
Authors: Cao Tun , Mao Libang , Fan Hangwei , Lian Meng , Jia Jingyuan , Su Ying , Ren Haonan 
Published: February 2023

AbstractThe chiroptical response occurring in the chiral metamaterials (MMs) has crucial and extensive applications for stereochemistry, polarization optics, and spintronics. Yet, such intrinsically chiral metamaterials are restricted to a complicated subwavelength chiral profile, causing pronounced fabrication challenges, particularly at the near‐infrared (N‐IR) spectral regime. Instead, extrinsic chirality can also be observed in the nonchiral MMs under an oblique incidence, indicating that the chiroptical response can be achieved with simple structures. The development of photon‐spin selective integrated devices needs an actively reversible tuning of chirality in MMs. Herein, a reversible switching of the extrinsic chirality at the N‐IR region is demonstrated by integrating a nonvolatile chalcogenide semiconductor, Ge2Sb2Te5, into the nonchiral MMs design. It provides an ultrafast and reconfigurable tuning of transmittance circular dichroism (TCD) between amorphous and crystalline states under a stimulus of a nanosecond pulsed laser at a wavelength of 532 nm. Meanwhile, it also effectively manipulates the TCD by titling both rotation and incident angles while fixing geometrical parameters. Utilizing ellipsometry and analytical inversion, it can obtain not only linear but circular birefringence‐dichroism pairs from a single general ellipsometry measurement, which gives a comprehensive description of the polarization characteristics of the non‐chiral MMs, having an advantage over the typical circular dichroism measurements.
Simultaneous Encapsulation of Mixed‐Halide Perovskite on Synthesis Step Using a Thermally Expandable Lamellar Capsule to Fabricate the Multi‐Conversion Layer
Authors: Yoo Jung Hyeon , Kwon Seok Bin , Yoo Ho Chan , Choi Seung Hee , Song Young Hyun , Kang Bong Kyun , Seo Young Soo , Li Tianyong , Wang Yuhua , Yoon Dae Ho 
Published: February 2023

AbstractDespite the excellent performance of halide perovskite, low stability, and ion exchange between halides have remained obstacles to practical application. Herein, the polymer capsule encapsulated perovskite through the conventional hot‐injection method is reported to overcome the above issues. The residual heat generated during perovskite synthesis is utilized to expand the layer, and the perovskite particles are grown inside the polyethylene capsule. The products are gathered in a powder state, and the whole emission range can be synthesized. The water stability after 6 h soaked in water shows ≈90% and ≈75% for green and red, respectively. Also, due to the suppressed ion exchange, the single multi‐conversion layer for white light generation can be fabricated.
Classic Fluorophores With a Horizontal Alignment for Enhancing Light Outcoupling Efficiency (≈30%) and External Quantum Efficiency (≈7%) of Near Ultraviolet (λmax < 400 nm) Organic Light‐Emitting Diodes
Authors: Lee Jian Haur , Huang Jing‐Xiang , Chen Chia‐Hsun , Lee Yi‐Ting , Chan Chin‐Yiu , Dzeng Yi‐Chung , Tang Po‐Wen , Chen Chi , Adachi Chihaya , Chiu Tien‐Lung , Lee Jiun‐Haw , Chen Chin‐Ti 
Published: February 2023

AbstractBased on the classic 1,1′:4′,1″‐terphenyl fluorophore, a novel near‐ultraviolet (NUV) fluorescent BB4Ph (4,4″′‐bis(2,3,4,5‐tetraphenylphen‐1‐yl)(1,1′:4′,1″‐terphenyl) is designed, synthesized, and characterized. BB4Ph exhibits a NUV fluorescence with a λmax of 373 and 380 nm in solution and as a thin film, respectively. The grazing incidence wide‐angle X‐ray scattering (GIWAXS) reveals BB4Ph having a high value of order parameter (SGIWAXS) of 0.59 for a molecular layer array normal to the substrate; the angle‐dependent photoluminescence (ADPL) measurement shows Θ (horizontal–dipole ratios) as high as 95% with the neat film. The non‐doped BB4Ph organic light‐emitting diodes (OLEDs) show external quantum efficiency (EQE) up to 5.24% with 1931 Commission Internationale de l’ Eclairage coordinates (CIEx,y) of (0.16, 0.04), a NUV electroluminescence. With 4P‐Cz (9,9′‐(1,1′:4′,1″:4″,1′″‐quaterphenyl‐4,4′″‐diyl)dicarbazole) as a dopant emitter, doped BB4Ph OLEDs show the highest EQE of 6.99% and a NUV 1931 CIEx,y (0.16, 0.04). The photoluminescence quantum yield is measured for the thin film of BB4Ph and 4P‐Cz:BB4Ph as 68% and 96%, respectively. Hence, the low limits of light outcoupling efficiency (ηout) of the two individual OLEDs are estimated as 31% and 29%, respectively.
Tuning Catalytic Performance of C2N/GaN Heterostructure for Hydrogen Evolution Reaction by Doping
Authors: Han Shuang , Yang Jian , Wei Xiumei , Huang Yuhong , Zhang Jianmin , Wang Zhenduo 
Published: February 2023

AbstractIn this work, a systematic theoretical study of the hydrogen evolution reaction (HER) catalytic activity of C2N/GaN heterostructure is carried out based on first principles. An indirect bandgap of 1.99 eV and type‐II band alignment are formed in the C2N/GaN heterostructure, which can facilitate the spatially efficient separation of photogenerated carrier pairs, and the band edge position matches the reduction potential of water. The catalytic performance of the HER reaction at the C and N sites is compared and that the N site is better in performance is found, but still requires a potential barrier of 0.60 eV. In order to improve the catalytic performance of the C2N/GaN heterostructure, an N atom is replaced by a P atom to obtain P‐C2N/GaN. The band alignment of the P‐C2N/GaN heterostructure is still type‐II, and the band edges satisfy the reduction potential of water. Fortunately, the P or N sites play a crucial role in the HER process with a relatively low overpotential of 0.38 eV, which suggests that P‐C2N/GaN can improve the catalytic performance of the heterojunction. Overall, the P‐C2N/GaN heterostructure has suitable band gap values and band edges, and efficient charge separation in the heterostructure makes it a promising HER catalyst.