bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comprehensive analysis of BTN3A1 in cancers: mining of omics data and validation in patient samples and cellular models
Authors: Liang Fan , Zhang Chen , Guo Hua , Gao San‐Hui , Yang Fu‐Ying , Zhou Guang‐Biao , Wang Gui‐Zhen 
Published: July 2021

Butyrophilin 3A1 (BTN3A1), a major histocompatibility complex‐associated gene that encodes a membrane protein with two extracellular immunoglobulin domains and an intracellular B30.2 domain, is critical in T‐cell activation and adaptive immune response. Here, the expression of BTN3A1 in cancers was analyzed in eight databases comprising 86 733 patients of 33 cancers, and the findings were validated in patient samples and cell models. We showed that BTN3A1 was expressed in most cancers, and its expression level was strongly correlated with clinical outcome of 13 cancers. Mutations of BTN3A1 were detected, and the mutations were distributed throughout the entire gene. Gene set enrichment analysis showed that BTN3A1 co‐expression genes and interacting proteins were enriched in immune regulation‐related pathways. BTN3A1 was associated with tumor‐infiltrating immune cells and was co‐expressed with multiple immune checkpoints in patients with breast cancer (BRCA) and non‐small cell lung cancer (NSCLC). We reported that BTN3A1 was downregulated in 46 of 65 (70.8%) NSCLCs, and its expression level was inversely associated with clinical outcome of the patients. BTN3A1 in tumor samples was lower than in counterpart normal tissues in 31 of 38 (81.6%) BRCAs. Bioinformatics analyses showed that BTN3A1 could be a target gene of transcription factor Spi‐1 proto‐oncogene (SPI1), and our ‘wet’ experiments showed that ectopic expression of SPI1 upregulated, whereas silencing of SPI1 downregulated, BTN3A1 expression in cells. These results suggest that BTN3A1 may function as a tumor suppressor and may serve as a potential prognostic biomarker in NSCLCs and BRCAs.
Stable Radicals with Protective Umbrellas Integrated on the Surface of 2D Layered Materials
Authors: Chen Yuanyuan , Peng Jian , Sheng Tian , Qin Ruixuan , Dai Shuqi , Shi Zaifa , Tang Zichao , Wang Laisen , Zhang Qinghua , Han Bin , Sun Liping , Xu Jun , Weng Jian 
Published: July 2021

AbstractRadicals are closely related to human life and health and have been widely used in biology, chemistry, functional materials, etc. However, the high reactivity, disorder, and short half‐lives limit their wide applications. Therefore, it remains a great challenge to prepare stable and ordered radicals. Herein, radicals are prepared with protective umbrellas (diethylmethyleneamine, DEMA) that are integrated on the surface of 2D layered materials to isolate water and oxygen and enhance the stability of radicals. Taking 2D black phosphorus (BP) as an example: triethylamine reacts with dichloromethane to form quaternary ammonium salts with further Hoffmann elimination to produce DEMA radicals that could react with one electron of a lone pair electrons in P on the surface of BP to produce P radicals, which shows a prolonged half‐life of 21 days at room temperature. First‐principle calculations and electron paramagnetic resonance fitting confirm that the steric hindrance constructed by dense DEMA passivation layer acts as a protective umbrella and the 2D coupling of P radicals and other P atoms in 2D BP plane to enhance the stability and strong superexchange interaction of P radicals. Furthermore, it is a general strategy to produce stable radicals integrated on the 2D plane.
Photoactive Lanthanide‐Based Upconverting Nanoclusters for Antimicrobial Applications
Authors: Kandoth Noufal , Barman Subhadip , Chatterjee Atin , Sarkar Sandip , Dey Anik Kumar , Pramanik Sumit Kumar , Das Amitava 
Published: July 2021

AbstractDeveloping photoactive nanosystems against microbial infection and its therapeutic application is compromised by the lack of suitable materials or molecular dyes activatable at biofriendly NIR light. In this direction, the upconverting nanoparticles based on core–shell lanthanide‐doped nanoclusters are developed synthetically to achieve a broad range of NIR‐active phototherapeutic antimicrobial agents. This review illustrates antimicrobial photodynamic therapy (aPDT) and multimodal therapy by NIR photoirradiation, generated by lanthanum doped upconverting nanoparticles (UCNPs). The objective herein is to discuss the insights in developing the UCNPs for designing efficient aPDTs and their efficacies against emerging antibiotic‐resistant bacterial colonies and their biofilms, drug‐resistant fungi, and viruses. The biosafety and biocompatibility of UCNPs at both in vitro and in vivo level are also presented in detail. Finally, our perspectives on the ways of future material engineering needed for the effective translation into their real‐world applications are also commented.
New Insights into the High‐Performance Black Phosphorus Anode for Lithium‐Ion Batteries
Authors: Li Minsi , Li Weihan , Hu Yongfeng , Yakovenko Andrey A. , Ren Yang , Luo Jing , Holden William M. , Shakouri Mohsen , Xiao Qunfeng , Gao Xuejie , Zhao Feipeng , Liang Jianwen , Feng Renfei , Li Ruying , Seidler Gerald T. , Brandys Frank , Divigalpitiya Ranjith , Sham Tsun‐Kong , Sun Xueliang 
Published: July 2021

AbstractBlack phosphorus (BP) is a promising anode material in lithium‐ion batteries (LIBs) owing to its high electrical conductivity and capacity. However, the huge volume change of BP during cycling induces rapid capacity fading. In addition, the unclear electrochemical mechanism of BP hinders the development of rational designs and preparation of high‐performance BP‐based anodes. Here, a high‐performance nanostructured BP–graphite–carbon nanotubes composite (BP/G/CNTs) synthesized using ball‐milling method is reported. The BP/G/CNTs anode delivers a high initial capacity of 1375 mA h g−1 at 0.15 A g−1 and maintains 1031.7 mA h g−1 after 450 cycles. Excellent high‐rate performance is demonstrated with a capacity of 508.1 mA h g−1 after 3000 cycles at 2 A g−1. Moreover, for the first time, direct evidence is provided experimentally to present the electrochemical mechanism of BP anodes with three‐step lithiation and delithiation using ex situ X‐ray diffraction (XRD), ex situ X‐ray absorption spectroscopy (XAS), ex situ X‐ray emission spectroscopy, operando XRD, and operando XAS, which reveal the formation of Li3P7, LiP, and Li3P. Furthermore, the study indicates an open‐circuit relaxation effect of the electrode with ex situ and operando XAS analyses.
Surface Diffusion and Epitaxial Self‐Planarization for Wafer‐Scale Single‐Grain Metal Chalcogenide Thin Films
Authors: Giri Anupam , Kumar Manish , Kim Jaeseon , Pal Monalisa , Banerjee Writam , Nikam Revannath Dnyandeo , Kwak Junghyeok , Kong Minsik , Kim Seong Hun , Thiyagarajan Kaliannan , Kim Geonwoo , Hwang Hyunsang , Lee Hyun Hwi , Lee Donghwa , Jeong Unyong 
Published: July 2021

AbstractAlthough wafer‐scale single‐grain thin films of 2D metal chalcogenides (MCs) have been extensively sought after during the last decade, the grain size of the MC thin films is still limited in the sub‐millimeter scale. A general strategy of synthesizing wafer‐scale single‐grain MC thin films by using commercial wafers (Si, Ge, GaAs) both as metal source and epitaxial collimator is presented. A new mechanism of single‐grain thin‐film formation, surface diffusion, and epitaxial self‐planarization is proposed, where chalcogen elements migrate preferentially along substrate surface and the epitaxial crystal domains flow to form an atomically smooth thin film. Through synchrotron X‐ray diffraction and high‐resolution scanning transmission electron microscopy, the formation of single‐grain Si2Te3, GeTe, GeSe, and GaTe thin films on (111) Si, Ge, and (100) GaAs is verified. The Si2Te3 thin film is used to achieve transfer‐free fabrication of a high‐performance bipolar memristive electrical‐switching device.
Molecular Engineering of Hydrogels for Rapid Water Disinfection and Sustainable Solar Vapor Generation
Authors: Guo Youhong , Dundas Christopher M. , Zhou Xingyi , Johnston Keith P. , Yu Guihua 
Published: July 2021

AbstractConsumption of unsafe water is a major cause of morbidity and mortality in developing regions. Pasteurizing or boiling water to remove pathogens is energy‐intensive and often impractical to off‐grid communities. Therefore, low capital cost, rapid and energy‐efficient water disinfection methods are urgently required to address global challenges of safe water access. Here, anti‐bacterial hydrogels (ABHs) with catechol‐enabled molecular‐level hydrogen peroxide generators and quinone‐anchored activated carbon particles are designed for effective water treatment. The bactericidal effect is attributed to the synergy of hydrogen peroxide and quinone groups to attack essential cell components and disturb bacterial metabolism. ABHs can be directly used as tablets to achieve >99.999% water disinfection efficiency within 60 min without energy input. No harmful byproducts are formed during the treatment process, after which the ABH tablets can be easily removed without residues. Taking advantage of their excellent photothermal and biofouling‐resistant properties, ABHs can also be applied as solar evaporators to achieve stable water purification under sunlight (≤1 kW m−2) after months of storage and operation in bacteria‐containing river water. The ABH platform offers reduced energy and chemical demands for point‐of‐use water treatment technologies in remote areas and emergency rescue applications.
Avoiding the Center‐Symmetry Trap: Programmed Assembly of Dipolar Precursors into Porous, Crystalline Molecular Thin Films
Authors: Nefedov Alexei , Haldar Ritesh , Xu Zhiyun , Kühner Hannes , Hofmann Dennis , Goll David , Sapotta Benedikt , Hecht Stefan , Krstić Marjan , Rockstuhl Carsten , Wenzel Wolfgang , Bräse Stefan , Tegeder Petra , Zojer Egbert , Wöll Christof 
Published: July 2021

AbstractLiquid‐phase, quasi‐epitaxial growth is used to stack asymmetric, dipolar organic compounds on inorganic substrates, permitting porous, crystalline molecular materials that lack inversion symmetry. This allows material fabrication with built‐in electric fields. A new programmed assembly strategy based on metal–organic frameworks (MOFs) is described that facilitates crystalline, noncentrosymmetric space groups for achiral compounds. Electric fields are integrated into crystalline, porous thin films with an orientation normal to the substrate. Changes in electrostatic potential are detected via core‐level shifts of marker atoms on the MOF thin films and agree with theoretical results. The integration of built‐in electric fields into organic, crystalline, and porous materials creates possibilities for band structure engineering to control the alignment of electronic levels in organic molecules. Built‐in electric fields may also be used to tune the transfer of charges from donors loaded via programmed assembly into MOF pores. Applications include organic electronics, photonics, and nonlinear optics, since the absence of inversion symmetry results in a clear second‐harmonic generation signal.
Atomistic Insights on the Rheological Property of Polycaprolactone Composites with the Addition of Graphene
Authors: Nie Yihan , Zhan Haifei , Kou Liangzhi , Gu Yuantong 
Published: July 2021

AbstractTo facilitate the biomedical applications of biocomposites, researchers have used different types of fillers to enhance their mechanical properties. However, the addition of fillers not only changes the mechanical performance of the biocomposites, but also affects their printability, that is, their rheological properties. With the aid of atomistic simulations, this work investigates the influence of graphene size and aggregation on the rheological properties of polycaprolactone (PCL) composites. For the same weight ratio, increasing the graphene size causes the viscosity of the PCL composite to increase until a threshold edge length equal to PCL's average radius of gyration. After this threshold value, the viscosity decreases with increasing edge length. The PCL composite with multilayered graphene exhibits a lower viscosity compared with its counterpart with monolayer graphene. Specifically, the addition of graphene is shown to augment the shear‐thinning effect. The findings in this work provide a fundamental understanding of the rheological property of PCL composites with the addition of 2D nanofillers, which shed light on the ink design for bioprinting.
Electrotherapies for Glioblastoma
Authors: Jenkins Elise P. W. , Finch Alina , Gerigk Magda , Triantis Iasonas F. , Watts Colin , Malliaras George G. 
Published: July 2021

AbstractNon‐thermal, intermediate frequency (100–500 kHz) electrotherapies present a unique therapeutic strategy to treat malignant neoplasms. Here, pulsed electric fields (PEFs) which induce reversible or irreversible electroporation (IRE) and tumour‐treating fields (TTFs) are reviewed highlighting the foundations, advances, and considerations of each method when applied to glioblastoma (GBM). Several biological aspects of GBM that contribute to treatment complexity (heterogeneity, recurrence, resistance, and blood‐brain barrier(BBB)) and electrophysiological traits which are suggested to promote glioma progression are described. Particularly, the biological responses at the cellular and molecular level to specific parameters of the electrical stimuli are discussed offering ways to compare these parameters despite the lack of a universally adopted physical description. Reviewing the literature, a disconnect is found between electrotherapy techniques and how they target the biological complexities of GBM that make treatment difficult in the first place. An attempt is made to bridge the interdisciplinary gap by mapping biological characteristics to different methods of electrotherapy, suggesting important future research topics and directions in both understanding and treating GBM. To the authors' knowledge, this is the first paper that attempts an in‐tandem assessment of the biological effects of different aspects of intermediate frequency electrotherapy methods, thus offering possible strategies toward GBM treatment.
Phononic Thermal Transport along Graphene Grain Boundaries: A Hidden Vulnerability
Authors: Tong Zhen , Pecchia Alessandro , Yam ChiYung , Dumitrică Traian , Frauenheim Thomas 
Published: July 2021

AbstractWhile graphene grain boundaries (GBs) are well characterized experimentally, their influence on transport properties is less understood. As revealed here, phononic thermal transport is vulnerable to GBs even when they are ultra‐narrow and aligned along the temperature gradient direction. Non‐equilibrium molecular dynamics simulations uncover large reductions in the phononic thermal conductivity (κp) along linear GBs comprising periodically repeating pentagon‐heptagon dislocations. Green's function calculations and spectral energy density analysis indicate that the origin of the κp reduction is hidden in the periodic GB strain field, which behaves as a reflective diffraction grating with either diffuse or specular phonon reflections, and represents a source of anharmonic phonon–phonon scattering. The non‐monotonic dependence with dislocation density of κp uncovered here is unaccounted for by the classical Klemens theory. It can help identify GB structures that can best preserve the integrity of the phononic transport.
Comparing and Quantifying Indoor Performance of Organic Solar Cells
Authors: Lübke Dana , Hartnagel Paula , Angona Johanna , Kirchartz Thomas 
Published: July 2021

AbstractWith increasing efficiencies of non‐fullerene acceptor‐based organic solar cells, thin‐film technology is becoming a promising candidate for indoor light harvesting applications. However, the lack of standardized comparison methods makes it difficult to quantify progress and to compare indoor performance. Herein, a simple method to calculate the efficiency of solar cells under any possible light source and illuminance with only using simple standard measurements (current–voltage curves and quantum efficiency) is presented. Thereby, equal evaluation conditions are ensured, so that indoor solar cells can be ranked and compared according to their efficiency. Efficiencies are shown to typically vary by ±20% when using different different light emitting diode spectra with color temperatures ranging from 2700 to 6500 K. Calculations based on a detailed balance model indicate that the optimal bandgap of the absorber material depends on the used light source and ranges between 1.75 and 2 eV. The approach is validated by comparison with literature data and many calculated efficiencies match well with experimental data obtained with a specific light source. However, some reported efficiencies cannot be reproduced with the model, which highlights the need to reassess low light measuring techniques. Furthermore, a script is provided for use by the community.
A Thiadiazole‐Based Conjugated Polymer with Ultradeep HOMO Level and Strong Electroluminescence Enables 18.6% Efficiency in Organic Solar Cell
Authors: Zhang Tao , An Cunbin , Bi Pengqing , Lv Qianglong , Qin Jinzhao , Hong Ling , Cui Yong , Zhang Shaoqing , Hou Jianhui 
Published: July 2021

AbstractUnder the premise of ensuring favorable bulk heterojunction morphology in organic solar cells (OSCs), conjugated polymer donors with deep‐lying highest occupied molecular orbital (HOMO) levels are highly important to improve power conversion efficiencies (PCEs) by reducing photovoltage loss. However, the development of such materials has lagged. Herein, a thiadiazole‐based conjugated polymer, PB2F is reported, which has a very deep HOMO level of −5.64 eV, and high electroluminescence quantum efficiency of 3.9 × 10−3. In OSCs, the PB2F‐based OSC gives an excellent PCE of 14.5% with an ultrahigh open‐circuit voltage (VOC) of 0.957 V by blending with an electron acceptor of IT‐4F. More importantly, the PB2F as a third component is added into the PBDB‐TF:BTP‐eC9 blend to achieve an outstanding PCE of 18.6% (certified PCE 18.2%), which is one of the highest PCEs in OSCs.
Regenerative agriculture and integrative permaculture for sustainable and technology driven global food production and security
Authors: McLennon Everald , Dari Biswanath , Jha Gaurav , Sihi Debjani , Kankarla Vanaja 
Published: July 2021

AbstractA growing world population and increases in food and energy consumption have placed production agriculture in a difficult situation. The rapid growth in food production through specialized operations such as monoculture cropping systems has aligned to satisfy increases in demand for food and fiber. However, its adverse impacts on natural resources pose huge challenges for the sustainability of food production. The situation is direr for developing countries or rural regions of the world due to the limited resources available to farming communities in these regions. To avoid production agriculture being at the proverbial crossroads we suggest an alternate approach. One that involves the sustainable use of natural resources without adverse environmental impacts by relying less on production inputs whether it be agrochemicals or machineries. We examined the extent to which regenerative agriculture, permaculture, and smart technology have evolved in response to sustainable agricultural production, agricultural decision support system, and overall global food security. Collectively, regenerative agriculture and permaculture are semi‐closed holistic systems approach designed to reduce or eliminate dependence on external inputs (e.g., chemicals) which restores and maintains natural systems (e.g., soil quality, biodiversity, and ecosystem services). We suggest that fully embracing modern regenerative agriculture as well as integrated permaculture will improve soil health, ecosystem biodiversity, land and resource conservation, agricultural sustainability, and food security. Identifying and implementing practices towards regenerative agriculture, integrated permaculture, digital agriculture, and sustainable agricultural management utilizing modern agricultural technologies infused with data science (artificial intelligence [AI] or machine learning [ML]) is critical.
What is the best anthropometric predictor for identifying higher risk for cardiovascular diseases in afro‐descendant Brazilian women? A cross‐sectional population‐based study
Authors: Ferreira Haroldo S. , Soares Mariana L. , Krakauer Nir Y. , Santos Ewerton A. , Krakauer Jesse C. , Uchôa Tainá C. , Santos Tamara R. , dos Anjos Luiz Antonio 
Published: July 2021

AbstractObjectivesExcessive adiposity is associated with cardiovascular disease (CVD). Anthropometric indices are useful in screening individuals at higher risk for these diseases. However, there are no studies that show which of these indices has the best discriminatory power among Afro‐descendant Brazilian women. The objective of this study was to assess the accuracy of anthropometric indices in identifying risk factors for CVD in Afro‐descendant Brazilian women and define the one most suitable for use under the operating conditions prevailing in Quilombola communities.MethodsA household random sample of 1661 women descendants of African slaves were analyzed. The anthropometric predictors analyzed were waist circumference (WC), body mass index, waist‐to‐height ratio, conicity index (C‐index), body shape index, and percentage of body fat (%BF; estimated by bioimpedance). The assessed risk factors for CVD were arterial hypertension, diabetes mellitus, and dyslipidemias (hypertriglyceridemia; hypercholesterolemia; low high‐density lipoprotein). To identify the statistical significance between the differences in the areas under the ROC curves (AUC) obtained with the different predictors and outcomes, was used the Bonferroni test adjusted for multiple analyses by the Sidak method.ResultsThe AUC obtained with WC was higher (p < .05) or similar (p > .05) to those obtained with the other predictors 29 times out of 30 possibilities (six predictors x five outcomes). Only the AUC obtained with C‐index in identifying hypercholesterolemia was significantly higher than that with WC.ConclusionDue to its accuracy and greater operational simplicity, WC was the most adequate predictor for identifying Afro‐descendant women at greatest risk for CVD.
Cleft palate morphology, genetic etiology, and risk of mortality in infants with Robin sequence
Authors: Wenger Tara L. , Perkins Jonathan , Parish‐Morris Julia , Hing Anne V. , Chen Maida L. , Cielo Christopher M. , Li Dong , Bhoj Elizabeth J. , Hakonarson Hakon , Zackai Elaine , McDonald‐McGinn Donna M. , Taylor Jesse A. , Jackson Oksana , Sie Kathleen , Bly Randall , Dahl John , Evans Kelly N. 
Published: July 2021

AbstractRobin sequence (RS) has many genetic and nongenetic causes, including isolated Robin sequence (iRS), Stickler syndrome (SS), and other syndromes (SyndRS). The purpose of this study was to determine if the presence and type of cleft palate varies between etiologic groups. A secondary endpoint was to determine the relationship of etiologic group, cleft type, and mortality. Retrospective chart review of patients with RS at two high‐volume craniofacial centers. 295 patients with RS identified. CP was identified in 97% with iRS, 95% with SS, and 70% of those with SyndRS (p < .0001). U‐shaped CP was seen in 86% of iRS, 82% with SS, but only 27% with SyndRS (p < .0001). At one institution, 12 children (6%) with RS died, all from the SyndRS group (p < .0001). All died due to medical comorbidities related to their syndrome. Only 25% of children who died had a U‐shaped CP. The most common palatal morphology among those who died was an intact palate. U‐shaped CP was most strongly associated with iRS and SS, and with a lower risk of mortality. RS with submucous CP, cleft lip and palate or intact palate was strongly suggestive of an underlying genetic syndrome and higher risk of mortality.