bluuebunny/crossref_metadata_2025_split huggingface dataset:
Engineering Band‐Type Alignment in CsPbBr3 Perovskite‐Based Artificial Multiple Quantum Wells
Authors: Lee Kwang Jae , Merdad Noor A. , Maity Partha , El‐Demellawi Jehad K. , Lui Zhixiong , Sinatra Lutfan , Zhumekenov Ayan A. , Hedhili Mohamed N. , Min Jung‐Wook , Min Jung‐Hong , Gutiérrez‐Arzaluz Luis , Anjum Dalaver H. , Wei Nini , Ooi Boon S. , Alshareef Husam N. , Mohammed Omar F. , Bakr Osman M. 
Published: March 2021

AbstractSemiconductor heterostructures of multiple quantum wells (MQWs) have major applications in optoelectronics. However, for halide perovskites—the leading class of emerging semiconductors—building a variety of bandgap alignments (i.e., band‐types) in MQWs is not yet realized owing to the limitations of the current set of used barrier materials. Here, artificial perovskite‐based MQWs using 2,2′,2″‐(1,3,5‐benzinetriyl)‐tris(1‐phenyl‐1‐H‐benzimidazole), tris‐(8‐hydroxyquinoline)aluminum, and 2,9‐dimethyl‐4,7‐diphenyl‐1,10‐phenanthroline as quantum barrier materials are introduced. The structures of three different five‐stacked perovskite‐based MQWs each exhibiting a different band offset with CsPbBr3 in the conduction and valence bands, resulting in a variety of MQW band alignments, i.e., type‐I or type‐II structures, are shown. Transient absorption spectroscopy reveals the disparity in charge carrier dynamics between type‐I and type‐II MQWs. Photodiodes of each type of perovskite artificial MQWs show entirely different carrier behaviors and photoresponse characteristics. Compared with bulk perovskite devices, type‐II MQW photodiodes demonstrate a more than tenfold increase in the rectification ratio. The findings open new opportunities for producing halide‐perovskite‐based quantum devices by bandgap engineering using simple quantum barrier considerations.
Ultralow Lattice Thermal Conductivity and Superhigh Thermoelectric Figure‐of‐Merit in (Mg, Bi) Co‐Doped GeTe
Authors: Xing Tong , Zhu Chenxi , Song Qingfeng , Huang Hui , Xiao Jie , Ren Dudi , Shi Moji , Qiu Pengfei , Shi Xun , Xu Fangfang , Chen Lidong 
Published: March 2021

AbstractHigh‐efficiency thermoelectric (TE) technology is determined by the performance of TE materials. Doping is a routine approach in TEs to achieve optimized electrical properties and lowered thermal conductivity. However, how to choose appropriate dopants with desirable solution content to realize high TE figure‐of‐merit (zT) is very tough work. In this study, via the use of large mass and strain field fluctuations as indicators for low lattice thermal conductivity, the combination of (Mg, Bi) in GeTe is screened as very effective dopants for potentially high zTs. In experiments, a series of (Mg, Bi) co‐doped GeTe compounds are prepared and the electrical and thermal transport properties are systematically investigated. Ultralow lattice thermal conductivity, about 0.3 W m−1 K−1 at 600 K, is obtained in Ge0.9Mg0.04Bi0.06Te due to the introduced large mass and strain field fluctuations by (Mg, Bi) co‐doping. In addition, (Mg, Bi) co‐doping can introduce extra electrons for optimal carrier concentration and diminish the energy offset at the top of the valence band for high density‐of‐states effective mass. Via these synthetic effects, a superhigh zT of ≈2.5 at 700 K is achieved for Ge0.9Mg0.04Bi0.06Te. This study sheds light on the rational design of effective dopants in other TE materials.
Robust Cycling of Ultrathin Li Metal Enabled by Nitrate‐Preplanted Li Powder Composite
Authors: Jin Dahee , Roh Youngjoon , Jo Taejin , Ryou Myung‐Hyun , Lee Hongkyung , Lee Yong Min 
Published: March 2021

AbstractMaking Li metal batteries (LMBs) with thinner Li is necessary to improve the cell energy density in practice. Li metal powders (LMPs) are beneficial for the facile manufacturing of thin Li, flexible cell design, and the 3D control of Li plating/stripping. However, the inhomogeneous surfaces of commercial LMPs limit their practical use in LMBs. Herein, a 20 µm‐thick, LiNO3 preplanted LMP (LN‐LMP) composite electrode, rationally designed for LMP surface stabilization, is presented. The addition of LiNO3 into the slurry uniformly modified the LMP surface by N‐rich solid‐electrolyte interphase (SEI). Preplanted LiNO3 further acts as a reservoir for the sustainable release into the electrolyte, thereby repairing the SEI upon cycling. The LMBs with LN‐LMP exhibited excellent cycling performances (450 cycles at 87.3% retention) compared to the control cells, and even outperformed the cells with LiNO3‐containing electrolytes. Further verification with high loading of a LiNixMnyCo1–x–yO2 (NMC) cathode demonstrated the feasibility of the practical cells and the versatility of the thin, LN‐LMP anode combined with advanced electrolytes.
Associations of loneliness with risk of Alzheimer's disease dementia in the Framingham Heart Study
Authors: Akhter‐Khan Samia C. , Tao Qiushan , Ang Ting Fang Alvin , Itchapurapu Indira Swetha , Alosco Michael L. , Mez Jesse , Piers Ryan J. , Steffens David C. , Au Rhoda , Qiu Wei Qiao 
Published: March 2021

AbstractIntroductionThe relationship between persistent loneliness and Alzheimer's disease (AD) is unclear. We examined the relationship between different types of mid‐life loneliness and the development of dementia and AD.MethodsLoneliness was assessed in cognitively normal adults using one item from the Center for Epidemiologic Studies Depression Scale. We defined loneliness as no loneliness, transient loneliness, incident loneliness,or persistent loneliness, and applied Cox regression models and Kaplan‐Meier plots with dementia and AD as outcomes (n = 2880).ResultsAfter adjusting for demographics, social network, physical health, and apolipoprotein E ε4, persistent loneliness was associated with higher (hazard ratio [HR], 1.91; 95% confidence interval [CI] 1.25–2.90; P < .01), and transient loneliness with lower (HR, 0.34; 95% CI 0.14–0.84; P < .05), risk of dementia onset, compared to no loneliness. Results were similar for AD risk.DiscussionPersistent loneliness in mid‐life is an independent risk factor for dementia and AD, whereas recovery from loneliness suggests resilience to dementia risk.
Functionalization of Silk by AIEgens through Facile Bioconjugation: Full‐Color Fluorescence and Long‐Term Bioimaging
Authors: Liu Chenchen , Bai Haotian , He Benzhao , He Xuewen , Zhang Jianyu , Chen Chao , Qiu Yanping , Hu Rong , Zhao Fangxin , Zhang Yunxiao , He Wei , Chau Joe H. C. , Chen Sijie , Lam Jacky W. Y. , Tang Ben Zhong 
Published: March 2021

AbstractSilkworm silk is a promising natural biopolymer for textile and biomedical applications for its remarkable flexibility, excellent biocompatibility and controllable biodegradability. The functionalization of silks makes them more versatile for flexible displays and visible bioscaffolds. However, fluorescent silks are normally fabricated through unstable physical absorption or complicated chemical reactions under harsh conditions. Herein, we developed a simple strategy for preparing fluorescent silks. Five aggregation‐induced emission luminogens (AIEgens) with activated alkynes were synthesized by rational molecular design, and then reacted with silk fibers through facile metal‐free click bioconjugation. The resulting conjugates show bright full‐color emissions and high stability. A white light‐emitting silk was fabricated by simultaneous bioconjugation with red‐, green‐ and blue‐emissive AIEgens. The red‐emissive AIEgen‐functionalized silks were successfully applied for long‐term cell tracking and two‐photon bioimaging, demonstrating great potential for tissue engineering and bioscaffold monitoring.
Redox‐Neutrale Selen‐katalysierte Isomerisierung von para‐Hydroxamsäuren zu para‐Aminophenolen
Authors: Chuang Hsiang‐Yu , Schupp Manuel , Meyrelles Ricardo , Maryasin Boris , Maulide Nuno 
Published: March 2021

AbstractÜber eine Selen‐katalysierte para‐Hydroxylierung von N‐Arylhydroxamsäuren wird berichtet. Mechanistisch verläuft diese über N‐O‐Bindungsbruch und nachfolgende Selen‐induzierte [2,3]‐Umlagerungen um para‐Hydroxylanilinderivate zu erzeugen. Der Mechanismus wurde sowohl mittels 18O‐Überkreuzungsexperimenten als auch quantenchemischen Berechnungen untersucht. Diese redox‐neutrale Transformation ermöglicht einen ungewöhnlichen synthetischen Zugang zu para‐Aminophenolen.
Threefold Collaborative Stabilization of Ag14‐Nanorods by Hydrophobic Ti16‐Oxo Clusters and Alkynes: Designable Assembly and Solid‐State Optical‐Limiting Application
Authors: Fan Xi , Yuan Furong , Li Dejing , Chen Shuai , Cheng Zhibin , Zhang Zhangjing , Xiang Shengchang , Zang Shuang‐Quan , Zhang Jian , Zhang Lei 
Published: March 2021

AbstractAg nanoclusters have received increasing attention due to their atomically precise and diverse structures and intriguing optical properties. Nevertheless, the inherent instability of Ag nanoclusters has seriously hindered their practical application. In this work, for the first time, Ag clusters are collaboratively protected by hydrophobic Ti‐oxo clusters and alkyne ligands. Initially, a pyramidal Ag5 cluster terminated with tBuC≡C− and CH3CN was inserted into the cavity of a Ti8‐oxo nanoring to form Ag5@Ti8. To overcome the instability of acetonitrile‐terminated silver site, such two Ag5@Ti8 clusters could sandwich an Ag4 unit to form Ag14‐nanorod@Ti16‐oxo‐nanoring (Ag14@Ti16), which is peripherally protected by fluorophenyl groups and alkyne caps. This threefold protected (hydrophobic fluorinated organic layer, Ti‐O shell, and terminal alkyne ligands) Ag14@Ti16 exhibits superhydrophobicity and excellent ambient stability, endowing it with solid‐state optical limiting characteristics.
Hematite Photoanodes for Water Oxidation: Electronic Transitions, Carrier Dynamics, and Surface Energetics
Authors: Li Jingguo , Chen Hang , Triana Carlos A. , Patzke Greta R. 
Published: March 2021

AbstractWe review the current understanding of charge carriers in model hematite photoanodes at different stages. The origin of charge carriers is discussed based on the electronic structure and absorption features, highlighting the controversial assignment of the electronic transitions near the absorption edge. Next, the dynamic evolution of charge carriers is analyzed both on the ultrafast and on the surface reaction timescales, with special emphasis on the arguable spectroscopic assignment of electrons/holes and their kinetics. Further, the competitive charge transfer centers at the solid–liquid interface are reviewed, and the chemical nature of relevant surface states is updated. Finally, an overview on the function of widely employed surface cocatalysts is given to illustrate the complex influence of physiochemical modifications on the charge carrier dynamics. The understanding of charge carriers from their origin all the way to their interfacial transfer is vital for the future of photoanode design.
Cascade Oxidative C−H Annulation of Thiophenes: Heck‐Type Pathway Enables Concise Access to Thienoacenes
Authors: Chen Xingyu , Yang Yudong , Han Weiguo , Huang Quan , Huang Zhenmei , You Jingsong 
Published: March 2021

AbstractThe pursuit of efficient synthetic route to thienoacenes represents an appealing yet challenging task in the fields of both organic synthetic chemistry and organic functional materials. In this work, we disclose a rhodium‐catalyzed cascade C−H annulation of phenacyl phosphoniums with (benzo)thiophenes via a Heck‐type pathway to provide a new class of planar thienoacenes, which involves the formation of three Caryl‐Caryl bonds and one Caryl−O bond in a single operation. The neutral S,O‐heteroacenes exhibit superior stability and adopt a herringbone‐like packing mode with efficient π–π stacking in the crystals, suggesting their potential in organic semiconducting materials. This work first exemplifies the superiority of cascade oxidative C−H annulation involving a Heck‐type pathway in the development of concise access to heteroacenes.
Life history traits and conservation actions for the Maugean skate (Zearaja maugeana), an endangered species occupying an anthropogenically impacted estuary
Authors: Awruch Cynthia A. , Bell Justin D. , Semmens Jayson M. , Lyle Jeremy M. 
Published: March 2021

AbstractThe Maugean skate,Zearaja maugeana, is endemic to two isolated western Tasmanian (Australia) estuaries. The species' persistence in one of these estuaries (Bathurst Harbour) is uncertain, while the other estuary (Macquarie Harbour), potentially the remaining stronghold for the species, is an anthropogenically impacted system.Key life‐history parameters were studied to inform conservation actions for this species. Reproductive information was obtained using non‐lethal methodologies, circulating concentrations of sex steroids and ultrasonography. Growth and age parameters were estimated based on vertebral sections from a small sample of individuals.Females and males reached 870 and 760 mm total length, respectively. The species reached a maximum age of at least 10 years. Females and males attained 50% sexual maturity at 665 and 633 mm total length, respectively, probably maturing somewhere between four and six years of age. Females displayed an asynchronous, discontinuous reproductive cycle, being able to reproduce throughout the year, with a probable decline in reproductive activity during summer. No egg cases were observedin‐utero. Males produce sperm all year round, with a peak in testosterone production during spring–autumn.Conservation strategies for Z. maugeanawill need to focus on reducing anthropogenic impacts on the environmental health, the primary impacts being altered river flows associated with the production of hydroelectricity and increased nutrient load associated with salmonid aquaculture. There is a need to better understand how reproductive success, egg survival and recruitment are affected by these environmental challenges if the future well‐being of this species is to be secured.
Association Between Gut Microbiota and Symptomatic Hand Osteoarthritis: Data From the Xiangya Osteoarthritis Study
Authors: Wei Jie , Zhang Chenhong , Zhang Yuqing , Zhang Weiya , Doherty Michael , Yang Tuo , Zhai Guangju , Obotiba Abasiama D. , Lyu Houchen , Zeng Chao , Lei Guanghua 
Published: March 2021

ObjectiveSystemic inflammatory factors have been implicated in symptomatic hand osteoarthritis (OA). Gut microbiome dysbiosis promotes systemic inflammation. The aim of this study was to examine the association between the gut microbiome and the presence of symptomatic hand OA in a population‐based study.MethodsStudy participants were subjects of the Xiangya Osteoarthritis Study, a community‐based observational study conducted in the Hunan Province of China. Symptomatic hand OA was defined as the presence of both symptoms and radiographic OA in the same hand. The gut microbiome was analyzed using 16S ribosomal RNA gene sequencing in stool samples. We examined the relation of α‐diversity, β‐diversity, relative abundance of taxa, and potential bacterial functional pathways to symptomatic hand OA.ResultsA total of 1,388 participants (mean age 61.3 years, 57.4% women) were included in the study, of whom 72 had symptomatic hand OA (prevalence of symptomatic hand OA 5.2%). Beta‐diversity of the gut microbiome, but not α‐diversity, was significantly associated with the presence of symptomatic hand OA (P = 0.003). Higher relative abundance of the genera Bilophila and Desulfovibrio as well as lower relative abundance of the genus Roseburia was associated with symptomatic hand OA. Most functional pathways (i.e., those annotated in the KEGG Ortholog hierarchy) that were observed to be altered in participants with symptomatic hand OA belonged to the amino acid, carbohydrate, and lipid metabolic pathways.ConclusionThis large, population‐based study provides the first evidence that alterations in the composition of the gut microbiome were observed among study participants who had symptomatic hand OA, and a low relative abundance of Roseburia but high relative abundance of Bilophila and Desulfovibrio at the genus level were associated with prevalent symptomatic hand OA. These findings may help investigators understand the role of the microbiome in the development of symptomatic hand OA and could contribute to potential translational opportunities.
Genetic and Epigenetic Interplay Within a COLGALT2 Enhancer Associated With Osteoarthritis
Authors: Kehayova Yulia S. , Watson Emily , Wilkinson J. Mark , Loughlin John , Rice Sarah J. 
Published: March 2021

ObjectiveThe osteoarthritis (OA)–associated single‐nucleotide polymorphism (SNP) rs11583641 is located in COLGALT2, encoding a posttranslational modifier of collagen. In cartilage, the SNP genotype correlates with DNA methylation in a putative enhancer. This study was undertaken to characterize the mechanistic relationship between rs11583641, the putative enhancer, and COLGALT2 expression using cartilage samples from human patients and a chondrocyte cell model.MethodsNucleic acids were extracted from articular cartilage samples obtained from patients with OA (n = 137). Samples were genotyped, and DNA methylation was quantified at 12 CpGs using pyrosequencing. The putative enhancer was deleted in Tc28a2 chondrocytes using clustered regularly interspaced short palindromic repeat/Cas9, and the impact on nearby gene expression was determined using real‐time quantitative polymerase chain reaction. Targeted modulation of the epigenome using catalytically dead Cas9 (dCas9) constructs fused to DNA methyltransferase 3a or ten–eleven translocase 1 allowed for the investigation of a causal relationship between DNA methylation and enhancer activity.ResultsThe genotype at rs11583641 correlated with DNA methylation at 3 CpGs, and the presence of the OA risk allele, C, corresponded to reduced levels of methylation. Deletion of the enhancer resulted in a 2.7‐fold reduction in COLGALT2 expression. Targeted methylation and demethylation of the CpGs had antagonistic effects on COLGALT2 expression. An allelic imbalance in the expression of COLGALT2 was identified in the cartilage from patients with OA, with relative overexpression of the OA risk allele. Allelic expression ratios correlated with DNA methylation at 4 CpGs.ConclusionCOLGALT2 is a target of OA genetic risk at this locus. The genotype at rs11583641 impacts DNA methylation in a gene enhancer, which, in turn, modulates COLGALT2 expression. COLGALT2 encodes an enzyme that initiates posttranslational glycosylation of collagens and is therefore a compelling OA susceptibility target.
When special populations intersect with drug–drug interactions: Application of physiologically‐based pharmacokinetic modeling in pregnant populations
Authors: Sychterz Caroline , Galetin Aleksandra , Taskar Kunal S. 
Published: March 2021

AbstractPregnancy results in significant physiological changes that vary across trimesters and into the postpartum period, and may result in altered disposition of endogenous substances and drug pharmacokinetics. Pregnancy represents a unique special population where physiologically‐based pharmacokinetic modeling (PBPK) is well suited to mechanistically explore pharmacokinetics and dosing paradigms without subjecting pregnant women or their fetuses to extensive clinical studies. A critical review of applications of pregnancy PBPK models (pPBPK) was conducted to understand its current status for prediction of drug exposure in pregnant populations and to identify areas of further expansion. Evaluation of existing pPBPK modeling efforts highlighted improved understanding of cytochrome P450 (CYP)‐mediated changes during pregnancy and identified knowledge gaps for non‐CYP enzymes and the physiological changes of the postpartum period. Examples of the application of pPBPK beyond simple dose regimen recommendations are limited, particularly for prediction of drug–drug interactions (DDI) or differences between genotypes for polymorphic drug metabolizing enzymes. A raltegravir pPBPK model implementing UGT1A1 induction during the second and third trimesters of pregnancy was developed in the current work and verified against clinical data. Subsequently, the model was used to explore UGT1A1‐related DDI risk with atazanavir and rifampicin along with the effect of enzyme genotype on raltegravir apparent clearance. Simulations of pregnancy‐related induction of UGT1A1 either exacerbated UGT1A1 induction by rifampicin or negated atazanavir UGT1A1 inhibition. This example illustrated the advantages of pPBPK modeling for mechanistic evaluation of complex interplays of pregnancy‐ and drug‐related effects in support of model‐informed approaches in drug development.
FAM84B acts as a tumor promoter in human glioma via affecting the Akt/GSK‐3β/β‐catenin pathway
Authors: Wang Minjuan , Li Chengliang , Shi Wei 
Published: March 2021

AbstractFamily with sequence similarity 84, member B (FAM84B) has recently emerged as an oncoprotein in multiple types of cancer. However, whether FAM84B modulates the progression of glioma has not been determined. The goals of this work were to assess the possible relationship between FAM84B and glioma. Our data revealed high FAM84B level in glioma specimens and exhibited that the overexpression of FAM84B was correlated with a low survival rate in glioma patients. Cellular functional assays showed that silencing of FAM84B prohibited the proliferation and invasion, and induced the apoptosis of glioma cells. Further results determined that the knockdown of FAM84B remarkably decreased the levels of phosphorylated Akt and glycogen synthase kinase (GSK)‐3β, and active β‐catenin. Inhibition of Akt abolished the FAM84B‐mediated promotion effects on Wnt/β‐catenin pathway. The subcutaneous xenograft assay confirmed that the silencing of FAM84B significantly prohibited the tumorigenicity of glioma cells in vivo. Collectively, the findings from this work demonstrate that the downregulation of FAM84B exhibits a cancer‐suppressive role in human glioma through the regulation of Akt/GSK‐3β/β‐catenin pathway.
Epithelial cell adhesion molecule promotes breast cancer resistance protein‐mediated multidrug resistance in breast cancer by inducing partial epithelial–mesenchymal transition
Authors: Shi Rui‐Zan , He Yi‐Fan , Wen Jie , Niu Ya‐Nan , Gao Yu , Liu Lin‐Hong , Zhang Xuan‐Ping , Wang Yan , Zhang Xiu‐Li , Zhang Hui‐Feng , Chen Min , Hu Xiao‐ling 
Published: March 2021

AbstractOverexpression of breast cancer resistance protein (BCRP) plays a crucial role in the acquired multidrug resistance (MDR) in breast cancer. The elucidation of molecular events that confer BCRP‐mediated MDR is of major therapeutic importance in breast cancer. Epithelial cell adhesion molecule (EpCAM) has been implicated in tumor progression and drug resistance in various types of cancers, including breast cancer. However, the role of EpCAM in BCRP‐mediated MDR in breast cancer remains unknown. In the present study, we revealed that EpCAM expression was upregulated in BCRP‐overexpressing breast cancer MCF‐7/MX cells, and EpCAM knockdown using siRNA reduced BCRP expression and increased the sensitivity of MCF‐7/MX cells to mitoxantrone (MX). The epithelial–mesenchymal transition (EMT) promoted BCRP‐mediated MDR in breast cancer cells, and EpCAM knockdown partially suppressed EMT progression in MCF‐7/MX cells. In addition, Wnt/β‐catenin signaling was activated in MCF‐7/MX cells, and the inhibition of this signaling attenuated EpCAM and BCRP expression and partially reversed EMT. Together, this study illustrates that EpCAM upregulation by Wnt/β‐catenin signaling induces partial EMT to promote BCRP‐mediated MDR resistance in breast cancer cells. EpCAM may be a potential therapeutic target for overcoming BCRP‐mediated resistance in human breast cancer.