bluuebunny/crossref_metadata_2025_split huggingface dataset:
Efficient and Stable Red Perovskite Light‐Emitting Diodes with Operational Stability >300 h
Authors: Li Hanming , Lin Hong , Ouyang Dan , Yao Canglang , Li Can , Sun Jiayun , Song Yilong , Wang Yufeng , Yan Yanfa , Wang Yong , Dong Qingfeng , Choy Wallace C. H. 
Published: March 2021

AbstractThe long‐term operational stability of perovskite light‐emitting diodes (PeLEDs), especially red PeLEDs with only several hours typically, has always faced great challenges. Stable β‐CsPbI3 nanocrystals (NCs) are demonstrated for highly efficient and stable red‐emitting PeLEDs through incorporation of poly(maleic anhydride‐alt‐1‐octadecene) (PMA) in synthesizing the NCs. The PMA can chemically interact with PbI2 in the precursors via the coupling effect between O groups in PMA and Pb2+ to favor crystallization of stable β‐CsPbI3 NCs. Meanwhile, the cross‐linked PMA significantly reduces the PbCs anti‐site defect on the surface of the β‐CsPbI3 NCs. Benefiting from the improved crystal phase quality, the photoluminescence quantum yield for β‐CsPbI3 NCs films remarkably increases from 34% to 89%. The corresponding red‐emitting PeLEDs achieves a high external quantum efficiency of 17.8% and superior operational stability with the lifetime, the time to half the initial electroluminescence intensity (T50) reaching 317 h at a constant current density of 30 mA cm−2.
Manganese(I)‐Catalyzed Site‐Selective C6‐Alkenylation of 2‐Pyridones Using Alkynes via C−H Activation
Authors: Wan Shanhong , Luo Zhenli , Xu Xin , Yu Haiyang , Li Jiajie , Pan Yixiao , Zhang Xin , Xu Lijin , Cao Rui 
Published: March 2021

AbstractA Mn(I)‐catalyzed chelation‐assisted direct C6−H alkenylation of 2‐pyridones with both terminal and internal alkynes in a highly regio‐ and stereo‐selective manner has been developed. The catalytic system consisting of Mn(CO)5Br catalyst and KOAc additive allows 1‐(2‐pyridyl)‐2‐pyridones to undergo alkenylation with various terminal alkynes in methyl tert‐butyl ether (MTBE) to furnish the C6‐alkenylated 2‐pyridone products in high yields, and the alkenylation with internal alkynes occurs in CH2Cl2 at increased catalyst and additive loadings. Mechanistic studies suggest the involvement of a five‐membered organomanganese as the key intermediate in the catalytic cycle.magnified image
A High‐Affinity Calmodulin‐Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells
Authors: Voegele Alexis , Sadi Mirko , O'Brien Darragh Patrick , Gehan Pauline , Raoux‐Barbot Dorothée , Davi Maryline , Hoos Sylviane , Brûlé Sébastien , Raynal Bertrand , Weber Patrick , Mechaly Ariel , Haouz Ahmed , Rodriguez Nicolas , Vachette Patrice , Durand Dominique , Brier Sébastien , Ladant Daniel , Chenal Alexandre 
Published: March 2021

AbstractThe molecular mechanisms and forces involved in the translocation of bacterial toxins into host cells are still a matter of intense research. The adenylate cyclase (CyaA) toxin from Bordetella pertussis displays a unique intoxication pathway in which its catalytic domain is directly translocated across target cell membranes. The CyaA translocation region contains a segment, P454 (residues 454–484), which exhibits membrane‐active properties related to antimicrobial peptides. Herein, the results show that this peptide is able to translocate across membranes and to interact with calmodulin (CaM). Structural and biophysical analyses reveal the key residues of P454 involved in membrane destabilization and calmodulin binding. Mutational analysis demonstrates that these residues play a crucial role in CyaA translocation into target cells. In addition, calmidazolium, a calmodulin inhibitor, efficiently blocks CyaA internalization. It is proposed that after CyaA binding to target cells, the P454 segment destabilizes the plasma membrane, translocates across the lipid bilayer and binds calmodulin. Trapping of CyaA by the CaM:P454 interaction in the cytosol may assist the entry of the N‐terminal catalytic domain by converting the stochastic motion of the polypeptide chain through the membrane into an efficient vectorial chain translocation into host cells.
Toxicogenomic Profiling of 28 Nanomaterials in Mouse Airways
Authors: Kinaret Pia A. S. , Ndika Joseph , Ilves Marit , Wolff Henrik , Vales Gerard , Norppa Hannu , Savolainen Kai , Skoog Tiina , Kere Juha , Moya Sergio , Handy Richard D. , Karisola Piia , Fadeel Bengt , Greco Dario , Alenius Harri 
Published: March 2021

AbstractToxicogenomics opens novel opportunities for hazard assessment by utilizing computational methods to map molecular events and biological processes. In this study, the transcriptomic and immunopathological changes associated with airway exposure to a total of 28 engineered nanomaterials (ENM) are investigated. The ENM are selected to have different core (Ag, Au, TiO2, CuO, nanodiamond, and multiwalled carbon nanotubes) and surface chemistries (COOH, NH2, or polyethylene glycosylation (PEG)). Additionally, ENM with variations in either size (Au) or shape (TiO2) are included. Mice are exposed to 10 µg of ENM by oropharyngeal aspiration for 4 consecutive days, followed by extensive histological/cytological analyses and transcriptomic characterization of lung tissue. The results demonstrate that transcriptomic alterations are correlated with the inflammatory cell infiltrate in the lungs. Surface modification has varying effects on the airways with amination rendering the strongest inflammatory response, while PEGylation suppresses toxicity. However, toxicological responses are also dependent on ENM core chemistry. In addition to ENM‐specific transcriptional changes, a subset of 50 shared differentially expressed genes is also highlighted that cluster these ENM according to their toxicity. This study provides the largest in vivo data set currently available and as such provides valuable information to be utilized in developing predictive models for ENM toxicity.
Prefrontal cortex and cognitive aging in macaque monkeys
Authors: Upright Nicholas A. , Baxter Mark G. 
Published: March 2021

AbstractCognitive impairments that accompany aging, even in the absence of neurodegenerative diseases, include deficits in executive function and memory mediated by the prefrontal cortex. Because of the unique differentiation and expansion of the prefrontal cortex in primates, investigations of the neurobiological basis of cognitive aging in nonhuman primates have been particularly informative about the potential basis for age‐related cognitive decline in humans. We review the cognitive functions mediated by specific subregions of prefrontal cortex, and their corresponding connections, as well as the evidence for age‐related alterations in specific regions of prefrontal cortex. We also discuss evidence for similarities and differences in the effects of aging on prefrontal cortex across species.
Less Unfavorable Salt Bridges on the Enzyme Surface Result in More Organic Cosolvent Resistance
Authors: Cui Haiyang , Eltoukhy Lobna , Zhang Lingling , Markel Ulrich , Jaeger Karl‐Erich , Davari Mehdi D. , Schwaneberg Ulrich 
Published: March 2021

AbstractBiocatalysis for the synthesis of fine chemicals is highly attractive but usually requires organic (co‐)solvents (OSs). However, native enzymes often have low activity and resistance in OSs and at elevated temperatures. Herein, we report a smart salt bridge design strategy for simultaneously improving OS resistance and thermostability of the model enzyme, Bacillus subtilits Lipase A (BSLA). We combined comprehensive experimental studies of 3450 BSLA variants and molecular dynamics simulations of 36 systems. Iterative recombination of four beneficial substitutions yielded superior resistant variants with up to 7.6‐fold (D64K/D144K) improved resistance toward three OSs while exhibiting significant thermostability (thermal resistance up to 137‐fold, and half‐life up to 3.3‐fold). Molecular dynamics simulations revealed that locally refined flexibility and strengthened hydration jointly govern the highly increased resistance in OSs and at 50–100 °C. The salt bridge redesign provides protein engineers with a powerful and likely general approach to design OSs‐ and/or thermal‐resistant lipases and other α/β‐hydrolases.
A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations
Authors: Li Yanqiang , Zhou Zhengyang , Zhao Sangen , Liang Fei , Ding Qingran , Sun Junliang , Lin Zheshuai , Hong Maochun , Luo Junhua 
Published: March 2021

AbstractDespite borate‐sulfates composed of isolated borate and sulfate groups have been discovered for more than one century, borosulfates of B‐O‐S bonding have not been synthesized until 2012 and their properties remain rarely explored. Here, we report a new borosulfate, namely LiRb4[B(SO4)4], which shows potential as a bran‐new class of deep‐UV nonlinear optical (NLO) material. Remarkably, according to the in situ single‐crystal X‐ray diffraction, LiRb4[B(SO4)4] undergoes successive first‐order phase transitions with incommensurate structural modulations under room temperature and low temperature with (3 + 1)D superspace groups of X2(α0γ)0 and P21(α0γ)0, respectively. The first‐principle calculations and structural analyses reveal that NLO properties, phase transitions, and incommensurate modulations are closely related to the [B(SO4)4]5− super‐tetrahedral units with B‐O‐S bonding. We anticipate that the unprecedented coexistence of deep‐UV transparency, NLO responses, and incommensurate structural modulations in one borosulfate will bring new possibilities to understand the underlying concepts of physics and chemistry in aperiodic materials.
Ultra‐High Initial Coulombic Efficiency Induced by Interface Engineering Enables Rapid, Stable Sodium Storage
Authors: Wan Yanhua , Song Keming , Chen Weihua , Qin Changdong , Zhang Xixue , Zhang Jiyu , Dai Hongliu , Hu Zhe , Yan Pengfei , Liu Chuntai , Sun Shuhui , Chou Shu‐Lei , Shen Changyu 
Published: March 2021

AbstractHigh initial coulombic efficiency is highly desired because it implies effective interface construction and few electrolyte consumption, indicating enhanced batteries’ life and power output. In this work, a high‐capacity sodium storage material with FeS2nanoclusters (≈1–2 nm) embedded in N, S‐doped carbon matrix (FeS2/N,S‐C) was synthesized, the surface of which displays defects‐repaired characteristic and detectable dot‐matrix distributed Fe‐N‐C/Fe‐S‐C bonds. After the initial discharging process, the uniform ultra‐thin NaF‐rich (≈6.0 nm) solid electrolyte interphase was obtained, thereby achieving verifiable ultra‐high initial coulombic efficiency (≈92 %). The defects‐repaired surface provides perfect platform, and the catalysis of dot‐matrix distributed Fe‐N‐C/Fe‐S‐C bonds to the rapid decomposing of NaSO3CF3and diethylene glycol dimethyl ether successfully accelerate the building of two‐dimensional ultra‐thin solid electrolyte interphase. DFT calculations further confirmed the catalysis mechanism. As a result, the constructed FeS2/N,S‐C provides high reversible capacity (749.6 mAh g−1at 0.1 A g−1) and outstanding cycle stability (92.7 %, 10 000 cycles, 10.0 A g−1). Especially, at −15 °C, it also obtains a reversible capacity of 211.7 mAh g−1at 10.0 A g−1. Assembled pouch‐type cell performs potential application. The insight in this work provides a bright way to interface design for performance improvement in batteries.
Die Dreikomponenten‐Selbstorganisation ändert ihre Richtung: Ein Sprung von einfachen Polymeren zu 3D‐Netzwerken sphärischer Wirt/Gast‐Aggregate
Authors: Peresypkina Eugenia , Grill Kevin , Hiltl Barbara , Virovets Alexander V. , Kremer Werner , Hilgert Jan , Tremel Wolfgang , Scheer Manfred 
Published: March 2021

AbstractEintopf‐Selbstorganisationsreaktionen des Polyphosphor‐Komplexes [Cp*Fe(η5‐P5)] (A), des Münzmetallsalzes AgSbF6 und flexibler aliphatischer Dinitrile NC(CH2)xCN (x=1–10) geben 1D‐, 2D‐ und 3D‐Koordinationspolymere. Die siebengliedrige Kette eines Dinitrils wurde experimentell als Grenze für das Selbstorganisationssystem zur Erzeugung verschiedenartiger Produkte detektiert. Bei x<7 werden ausschließlich verschiedene, eher einfache Polymere gebildet, die entweder 0D‐ oder 1D‐Ag/A‐Strukturmotive besitzen, die durch Dinitril‐Linker verbunden sind, während bei x≥7 die Selbstorganisation zu völlig neuen außergewöhnlichen, durch Nitrile verbundenen 3D‐Netzwerken nano‐dimensionierter Wirt/Gast‐Aggregate von (SbF6)@[(A)9Ag11]11+ (x=7) oder (A)@[(A)12Ag12]12+ (x=8–10) wechselt. Die polykationischen Knoten stellen die ersten auf A und Silber basierenden Supersphären dar, die Wirt/Gast‐fähig sind. Alle Produkte wurden durch NMR‐Spektroskopie, Massenspektrometrie und Einkristall‐Röntgenstrukturanalyse charakterisiert. Die Aggregate [(A)12Ag12]12+ wurden durch Transmissionselektronenmikroskopie visualisiert.
Periodicity in the Electrochemical Dissolution of Transition Metals
Authors: Speck Florian D. , Zagalskaya Alexandra , Alexandrov Vitaly , Cherevko Serhiy 
Published: March 2021

AbstractExtensive research efforts are currently dedicated to the search for new electrocatalyst materials in which expensive and rare noble metals are replaced with cheaper and more abundant transition metals. Recently, numerous alloys, oxides, and composites with such metals have been identified as highly active electrocatalysts through the use of high‐throughput screening methods with the help of activity descriptors. Up to this point, stability has lacked such descriptors. Hence, we elucidate the role of intrinsic metal/oxide properties on the corrosion behavior of representative 3d, 4d, and 5d transition metals. Electrochemical dissolution of nine transition metals is quantified using online inductively coupled plasma mass spectrometry (ICP‐MS). Based on the obtained dissolution data in alkaline and acidic media, we establish clear periodic correlations between the amount of dissolved metal, the cohesive energy of the metal atoms (Ecoh), and the energy of oxygen adsorption on the metal (ΔHO,ads). Such correlations can support the knowledge‐driven search for more stable electrocatalysts.
Apoptotic and autophagic characteristics of perivisceral fat body remodeling of the greater wax moth Galleria mellonella and effects of juvenile hormone analog, fenoxycarb, on these processes
Authors: Poyraz Tinartas Esen , Goncu Ebru , Koc Kamil 
Published: March 2021

AbstractIn holometabolous insects, many tissues and organs such as the fat body and midgut undergo a remodeling process during metamorphosis. Larval fat body cells are eliminated by programmed cell death (PCD), while tissue cells that adapt to adult life are formed by stem cells. In this study, we analyzed the features of the remodeling period of Galleria mellonella fat body in terms of PCD types, apoptotic and autophagic cell death characteristics. Besides, the effects of juvenile hormone (JH) on these processes were evaluated under the modified hormonal conditions via applications of JH analog, fenoxycarb. Several hallmarks of apoptotic and autophagic cell death were analyzed by morphological, biochemical, and molecular methods. The results of the present study have ascertained that the degeneration process of larval cells occurs via autophagic cell death accompanied by caspase‐3 activity during the pupal period and it is regulated by 20‐hydroxyecdysone (20HE) mediated by ecdysone receptor B1 (EcR‐B1). Increased activity of the acid phosphatase and upregulation of ATG6 and ATG8 in parallel with the formation of autophagosomes in the fat body of Galleria during the pupal period strongly indicated that autophagy was the key player in the remodeling processes.
Selective Lithium Adsorption of Silicon Oxide Coated Lithium Aluminum Layered Double Hydroxide Nanocrystals and Their Regeneration
Authors: Lee Yongju , Cha Ji‐Hyun , Jung Duk‐Young 
Published: March 2021

AbstractSilicon oxide‐coated lithium aluminum layered double hydroxide (LixAl2‐LDH@SiO2) nanocrystals (NCs) are investigated to selectively separate lithium cations in aqueous lithium resources. We directly synthesized LixAl2‐LDH NC arrays by oxidation of aluminum foil substrate under a urea and lithium solution. Various lithium salts, including Cl−, CO32−, NO3−, and SO42−, were applied in aqueous solution to confirm the anion effect on the captured and released lithium quantity of the LixAl2‐LDH NCs. In a 5% solution of sulfate ions mix with lithium chloride, the LixAl2‐LDH NCs separated a larger quantity of lithium than in other anion conditions. To enhance regeneration stability and lithium selectivity, thin layers of SiO2 were coated onto the LixAl2‐LDH nanostructure arrays for inhibition of nanostructure destruction after desorption of lithium cations in hot water. The LixAl2‐LDH@SiO2 nanostructures showed enhanced properties for lithium adsorption, including increase of stable regeneration cycles from three to five cycles, and they showed high lithium selectivity in the Mg2+, Na+, and K+ cation mixed aqueous resource. Our nanostructured LDH lithium adsorbents would provide a facile and efficient application for cost‐efficient and large‐scale lithium production.
Magnetic Circularly Polarized Luminescence from PtIIOEP and F2‐ppyPtII(acac) under North‐up and South‐up Faraday Geometries
Authors: Matsudaira Kana , Mimura Yuki , Hotei Junichi , Yagi Shigeyuki , Yamashita Ken‐ichi , Fujiki Michiya , Imai Yoshitane 
Published: March 2021

AbstractThe magnetic circularly polarized luminescence (MCPL) and photoluminescence (PL) spectra of achiral (2,3,7,8,12,13,17,18‐octaethylporphyrinato)platinum(II), PtOEP, and [2‐(4′,6′‐difluorophenyl)pyridinato‐N,C2′]platinum(II) acetylacetonate‐O,O, F2‐ppyPt(acac), in toluene and dichloromethane solutions were recorded under an external magnetic field of 1.6 T with N‐up and S‐up Faraday geometries. The MCPL signs of PtOEP and F2‐ppyPt(acac) were controlled solely by changing the N‐up and S‐up geometries. The MCPL/PL wavelengths of F2‐ppyPt(acac) in solutions were varied by the ratio of the monomeric and excimeric species.
Long‐term performance of smart irrigation controllers on single‐family homes with excess irrigation
Authors: Cardenas Bernardo , Dukes Michael D. , Breder Eliza , Torbert Jacqueline W. 
Published: March 2021

AbstractThe main objective of this study was to evaluate the long‐term water conservation potential of two smart irrigation controllers when implemented in single‐family homes with excess irrigation. Treatments were established in Orange County, Florida, across two types of soils and included homes monitored only (MO), homes that received an evapotranspiration (ET) controller or a soil moisture sensor (SMS) controller, and homes that received an ET or SMS plus an onsite specific programing and tutorial given to the homeowner (ETPgm or SMSPgm, respectively). All treatments resulted in significant water savings compared with the MO group, without negatively affecting the turf quality. Average irrigation reductions in sandy and flatwoods soils for ET were 21% and 17% and 26% and 31%, respectively, in the ETPgm group. The SMS group reduced irrigation by 18% and 42% in flatwoods and sandy soils, respectively, while the SMSPgm treatment applied 41% and 35% less water, respectively.Article Impact StatementWater entities and utilities planning to create a rebate program using smart irrigation controllers can benefit from this long‐term study.
Electron Microscopy Imaging Applications of Room Temperature Ionic Liquids in the Biological Field: A Review
Authors: DiCecco Liza‐Anastasia , D'Elia Andrew , Miller Chelsea , Sask Kyla N. , Soleymani Leyla , Grandfield Kathryn 
Published: March 2021

AbstractFor biological imaging using electron microscopy (EM), the use of room‐temperature ionic liquids (RTILs) has been proposed as an alternative to traditional lengthy preparation methods. With their low vapor pressures and conductivity, RTILs can be applied onto hard‐to‐image soft and/or wet samples without dehydration – allowing for a more representative, hydrated state of material and opening the possibility for visualization of in situ physiological processes using conventional EM systems. However, RTILs have yet to be utilized to their full potential by microscopists and microbiologists alike. To this end, this review aims to provide a comprehensive summary of biological applications of RTILs for EM to bridge the RTIL, in situ microscopy, and biological communities. We outline future research avenues for the use of RTILs for the EM observation of biological samples, notably i) RTIL selection and optimization, ii) applications for live cell processes and iii) electron beam and ionic liquid interaction studies.
Cholecystoduodenal fistula resulting in gallstone ileus: A path paved by stone
Authors: Lee Brian T. , Mahamid Ahmad , Ahmad Jawad , Tabrizian Parissa 
Published: March 2021

AbstractThis report showcases the initial management of gallstone ileus which includes proper biliary assessment to assist with operative planning. While an uncommon condition, surgical management is crucial, although methodology may be variable.
Effects of concomitant combination of SGLT‐2 inhibitor and GLP‐1 receptor agonist on renal outcomes in T2D with eGFR below 30 and macroalbuminuria: A case series
Authors: Kuhadiya Nitesh D. , Mahmood Israa 
Published: March 2021

AbstractRenal protection is likely to be a class effect of SGLT‐2 inhibitors and GLP‐1RA. When used simultaneously, there may be a synergistic effect. Both agents are also safe to use in high renal risk patients (eGFR between 21 and 30 mL/min/1.73m2)
Metal Cation Valency Dependence in Morphology Evolution of Cu2−xS Nanodisk Seeds and Their Pseudomorphic Cation Exchanges
Authors: Chen Lihui , Hu Haifeng , Chen Yuzhou , Gao Jing , Li Guohua 
Published: March 2021

AbstractA crucial parameter in the design of semiconductor nanoparticles (NPs) with controllable optical, magnetic, electronic, and catalytic properties is the morphology. Herein, we demonstrate the potential of additive metal cations with variable valency to direct the morphology evolution of copper‐deficient Cu2−xS nanoparticles in the process of seed‐mediated growth. In particular, the djurleite Cu1.94S seed could evolve from disk into tetradecahedron in the presence of tin(IV) cations, whereas they merely formed sharp hexagonal nanodisks with tin(II) cations. In addition to djurleite Cu1.94S, the tin(IV) cations could be generalized to direct the growth of roxbyite Cu1.8S and covellite CuS nanodisk seeds into tetradecahedra. We further perform pseudomorphic cation exchanges of Cu1.94S tetradecahedra with Zn2+ and Cd2+ to produce polyhedral zinc sulfide (ZnS) and cadmium sulfide (CdS) NPs. Moreover, we achieve Cu1.8S/ZnS and Cu1.94S/CdS tetradecahedral heterostructures via partial cation exchange, which are otherwise inaccessible by traditional synthetic approaches.
Mechanistic Exploration of Methionine 274 Acting as a “Switch” of the Selective Pocket Involved in HDAC8 Inhibition: An in Silico Study
Authors: Yao Peng , Gao Qiushuang , Wang Ying , Yao Qizheng , Zhang Ji 
Published: March 2021

AbstractThe overexpression of histone deacetylase 8 (HDAC8) causes several diseases, and the selective inhibition of HDAC8 has been touted as a promising therapeutic strategy due to its fewer side effects. However, the mechanism of HDAC8 selective inhibition remains unclear. In this study, flexible docking and in silico mutation were used to explore the structural change of methionine (M274) during HDAC8 binding to inhibitors, along with the reason for this change. Meanwhile, steered and conventional molecular dynamics simulations were employed to explore the stability of the structural change. The findings suggest that M274 acts as a “switch” to control the exposure of the HDAC8‐selective pocket. The structure of M274 changes from flipped‐out to flipped‐in only when L‐shaped inhibitors bind to HDAC8. This structural change forms a groove that allows these inhibitors to enter the selective pocket. In other HDACs, a leucine residue replaces M274 in situ, and the same structural change is not observed. The findings reveal the mechanism of selective HDAC8 inhibition and provide guidance for the development of novel selective inhibitors.