bluuebunny/crossref_metadata_2025_split huggingface dataset:
Progress in Upscaling Organic Photovoltaic Devices
Authors: Bernardo Gabriel , Lopes Tânia , Lidzey David G. , Mendes Adélio 
Published: April 2021

AbstractOrganic photovoltaic (OPV) cells have recently undergone a rapid increase in power conversion efficiency (PCE) under AM1.5G conditions, as certified by the National Renewable Energy Laboratory (NREL), which have jumped from 11.5% in October 2017 to 18.2% in December 2020. However, the NREL certified PCE of large area OPV modules is still lagging far behind (11.7% in July 2020). Additionally, there has been a rapidly growing interest in the use of OPVs for dim light indoor applications, with reported PCE of some large area (≥1 cm2) devices, under 1000 lux, well above 20%. The transition of OPV from the lab to the market requires the development of effective manufacturing processes that can scale‐up laboratory‐scale devices into large area devices, without sacrificing performance and simultaneously minimizing associated manufacturing costs. This review article focuses on four important challenges that OPV technology has to face to achieve a reliable lab‐to‐fab transfer, namely: i) The upscaling of indium‐tin‐oxide (ITO)‐based single cells and the interconnection of single cells into large area modules; ii) the development of alternatives to vacuum processing; iii) the development of alternatives to ITO‐based substrates; and iv) strategies for improving the lifetime of large area OPV devices.
Toward Better and Smarter Batteries by Combining AI with Multisensory and Self‐Healing Approaches
Authors: Vegge Tejs , Tarascon Jean‐Marie , Edström Kristina 
Published: April 2021

AbstractWith an exponentially growing demand for rechargeable batteries, the development of new ultra‐performant, fully scalable, and sustainable battery technologies and materials must be accelerated. Creating a holistic, closed‐loop infrastructure for materials discovery, manufacturing, and battery testing that utilizes a common data infrastructure and autonomous workflows to bridge big data from all domains of the battery value chain, can pave the way for a transformative reduction in the required time to discovery. By embedding multisensory and self‐healing capabilities in future battery technologies and integrating these with AI and physics‐aware machine learning models capable of predicting the spatio‐temporal evolution of battery materials and interfaces, it will, in time, be possible to identify, predict and prevent potential degradation and failure modes. This will facilitate enhanced battery quality, reliability, and life, for example, by preemptively changing the battery charging conditions or releasing self‐healing additives from the separator membrane, akin to preemptive medicine, and form the basis for inverse design of new battery materials, interfaces, and additives. The large‐scale and long‐term European research initiative BATTERY 2030+ seeks to make this longer‐than ten‐year vision a reality through the development of a versatile and chemistry neutral “Battery Interface Genome—Materials Acceleration Platform” infrastructure (BIG‐MAP).
An Oxygenophilic Atomic Dispersed FeNC Catalyst for Lean‐Oxygen Seawater Batteries
Authors: Meng Rongwei , Zhang Chen , Lu Ziyang , Xie Xiaoying , Liu Yingxin , Tang Quanjun , Li Huan , Kong Debin , Geng Chuan‐Nan , Jiao Yan , Fan Zehui , He Qing , Guo Yong , Ling Guowei , Yang Quan‐Hong 
Published: April 2021

AbstractA constant energy supply is crucial for the exploration of deep‐sea extreme environments, and a self‐powered energy conversion device is ideal for this situation. Dissolved‐oxygen seawater batteries (SWBs) that generate electricity by reducing the dissolved oxygen are promising candidates but the ultralow oxygen concentration in deep sea limits the reaction kinetics. As a result, oxygenophilic electrocatalysts for lean‐oxygen conditions are urgently needed. A microwave heating method is reported that achieves the ultrafast synthesis of atomic dispersed FeNC catalyst (FeNgraphene (G)/carbon nanotube (CNT)), which possesses high activity and strong oxygenophilic interface between graphene and CNTs. DFT calculations and experimental results both show that the high oxygenophilicity is due to the double‐adsorption sites on the G/CNT interface, and the high activity FeN4 active sites is caused by the charge separation. FeNG/CNT catalysts have an outstanding oxygen reduction reaction (ORR) performance in both O2‐saturated alkaline medium and neutral seawater with half‐wave potentials (E1/2) of 0.929 and 0.704 V, respectively, far better than commercial Pt/C. A SWB shows excellent performance in lean‐oxygen seawater (≈0.4 mg L−1), with a discharge voltage of 1.18 V at 10 mA cm−2. These results suggest a critical role for oxygenophilic catalyst specifically for SWBs under lean‐oxygen conditions.
Gold‐Catalyzed Tandem Cycloisomerization/Ring Expansion of Alkynyl Spiro‐epoxyoxindoles: Access to Furo[2,3‐c]quinolinone Derivatives
Authors: Xiao Jun‐An , Peng Hai , Liang Jin‐Shao , Luo Xiao‐Yan , Cheng Xiu‐Liang , Su Wei 
Published: April 2021

AbstractA gold‐catalyzed tandem cycloisomerization/ring expansion of alkynyl spiro‐epoxyoxindoles was developed, affording furo[2,3‐c]quinolinones in good to excellent yields with broad substrates scope. This methodology provides an efficient approach to construct furo[2,3‐c]quinolinone moieties. Moreover, the fluorescence properties of furo[2,3‐c]quinolinones are also investigated.
Second‐Order Photonic Topological Corner States in Square Lattices with Low Symmetry
Authors: Kim Kwang‐Hyon 
Published: April 2021

AbstractIn most cases, higher‐order topological insulating phases are observed in crystalline materials and photonic/phononic crystals with high crystalline symmetries. Few exceptions include amorphous and quasi‐crystalline matters, which have recently been demonstrated to exhibit such topological phases as well. This report reveals analytically and numerically that the photonic crystals with asymmetric sublattices can also exhibit second‐order topological insulating phases. The appearance of band inversion for the change of unit cell parameters, the quantized 2D polarizations and topological corner charges, and the generation of corner states explicitly reveal the existence of such second‐order photonic topological insulating phases. Quite interestingly, for arbitrarily shaped asymmetric unit cells, second‐order topological corner states are also observed, provided that the intercell coupling dominates over the intracell one.
Quantitative Nano‐amperometric Measurement of Intravesicular Glutamate Content and its Sub‐Quantal Release by Living Neurons
Authors: Yang Xiao‐Ke , Zhang Fu‐Li , Wu Wen‐Tao , Tang Yun , Yan Jing , Liu Yan‐Ling , Amatore Christian , Huang Wei‐Hua 
Published: April 2021

AbstractQuantitative measurements of intravesicular glutamate (Glu) and of transient exocytotic release contents directly from individual living neurons are highly desired for understanding the mechanisms (full or sub‐quantal release?) of synaptic transmission and plasticity. However, this could not be achieved so far due to the lack of adequate experimental strategies relying on selective and sensitive Glu nanosensors. Herein, we introduce a novel electrochemical Glu nanobiosensor based on a single SiC nanowire that can selectively measure in real‐time Glu fluxes released via exocytosis by large Glu vesicles (ca. 125 nm diameter) present in single hippocampal axonal varicosities as well as their intravesicular content before exocytosis. These measurements revealed a sub‐quantal release mode in living hippocampal neurons, viz., only ca. one third to one half of intravesicular Glu molecules are released by individual vesicles during exocytotic events. Importantly, this fraction remained practically the same when hippocampal neurons were pretreated with L‐Glu‐precursor L‐glutamine, while it significantly increased after zinc treatment, although in both cases the intravesicular contents were drastically affected.
Synthesis of a Nitrogenase PN‐Cluster Model with [Fe8S7(μ‐Sthiolate)2] Core from the All‐Ferric [Fe4S4(Sthiolate)4] Cubane Synthon
Authors: Moula Golam , Nagasaki Ayaka , Matsumoto Tsuyoshi , Miehlich Matthias E. , Meyer Karsten , Cramer Roger E. , Tatsumi Kazuyuki 
Published: April 2021

AbstractConstructing synthetic models of the nitrogenase PN‐cluster has been a long‐standing synthetic challenge. Here, we report an optimal nitrogenase PN‐cluster model [{(TbtS)(OEt2)Fe4S3}2(μ‐STbt)2(μ6‐S)] (2) [Tbt=2,4,6‐tris{bis(trimethylsilyl)methyl}phenyl] that is the closest synthetic mimic constructed to date. Of note is that two thiolate ligands and one hexacoordinated sulfide are connecting the two Fe4S3 incomplete cubanes similar to the native PN‐cluster, which has never been achieved. Cluster 2 has been characterized by X‐ray crystallography and relevant physico‐chemical methods. The variable temperature magnetic moments of 2 indicate a singlet ground state (S=0). The Mössbauer spectrum of 2 exhibits two doublets with an intensity ratio of 3:1, which suggests the presence of two types of iron sites. The synthetic pathway of the cluster 2 could indicate the native PN‐cluster maturation process as it has been achieved from the Fe4S4 cubane Fe4S4(STbt)4 (1).
Redox‐Responsive Gene Delivery from Perfluorocarbon Nanoemulsions through Cleavable Poly(2‐oxazoline) Surfactants
Authors: Estabrook Daniel A. , Day Rachael A. , Sletten Ellen M. 
Published: April 2021

AbstractThe clinical utility of emulsions as delivery vehicles is hindered by a dependence on passive release. Stimuli‐responsive emulsions overcome this limitation but rely on external triggers or are composed of nanoparticle‐stabilized droplets that preclude sizes necessary for biomedical applications. Here, we employ cleavable poly(2‐oxazoline) diblock copolymer surfactants to form perfluorocarbon (PFC) nanoemulsions that release cargo upon exposure to glutathione. These surfactants allow for the first example of redox‐responsive nanoemulsions in cellulo. A noncovalent fluorous tagging strategy is leveraged to solubilize a GFP plasmid inside the PFC nanoemulsions, whereupon protein expression is achieved selectively when employing a stimuli‐responsive surfactant. This work contributes a methodology for non‐viral gene delivery and represents a general approach to nanoemulsions that respond to endogenous stimuli.
Redox‐Neutral S‐nitrosation Mediated by a Dicopper Center
Authors: Tao Wenjie , Moore Curtis E. , Zhang Shiyu 
Published: April 2021

AbstractA redox‐neutral S‐nitrosation of thiol has been achieved at a dicopper(I,I) center. Treatment of dicopper (I,I) complex with excess NO. and thiol generates a dicopper (I,I) di‐S‐nitrosothiol complex [CuICuI(RSNO)2]2+ or dicopper (I,I) mono‐S‐nitrosothiol complex [CuICuI(RSNO)]2+, which readily release RSNO in 88–94 % yield. The S‐nitrosation proceeds by a mixed‐valence [CuIICuIII(μ‐O)(μ‐NO)]2+ species, which deprotonates RS‐H at the basic μ‐O site and nitrosates RS− at the μ‐NO site. The [CuIICuIII(μ‐O)(μ‐NO)]2+ complex is also competent for O‐nitrosation of MeOH. A rare [CuIICuII(μ‐NO)(OMe)]2+ intermediate was isolated and fully characterized, suggesting the S‐nitrosation may proceed through the intermediary of analogous [CuIICuII(μ‐NO)(SR)]2+ species. This redox‐ and proton‐neutral S‐nitrosation process is the first functional model of ceruloplasmin in mediating S‐nitrosation of external thiols, with implications for biological copper sites in the interconversion of NO./RSNO.
A Divergent Strategy for Site‐Selective Radical Disulfuration of Carboxylic Acids with Trisulfide‐1,1‐Dioxides
Authors: Wu Zijun , Pratt Derek A. 
Published: April 2021

AbstractThe direct conversion of carboxylic acids into disulfides is described. The approach employs oxidative photocatalysis for base‐promoted decarboxylation of the substrate, which yields an alkyl radical that reacts with a trisulfide dioxide through homolytic substitution. The trisulfide dioxides are easily prepared by a newly described approach. 1°, 2°, and 3° carboxylic acids with varied substitution are good substrates, including amino acids and substrates with highly activated C−H bonds. Trisulfide dioxides are also used to achieve the γ‐C(sp3)−H disulfuration of amides through a radical relay sequence. In both reactions, the sulfonyl radical that results from substitution propagates the reaction. Factors governing the selectivity of substitution at S2 versus S3 of the trisulfide dioxides have been explored.
Introduction of Photolatent Bases for Locally Controlling Dynamic Exchange Reactions in Thermo‐Activated Vitrimers
Authors: Reisinger David , Kaiser Simon , Rossegger Elisabeth , Alabiso Walter , Rieger Bernhard , Schlögl Sandra 
Published: April 2021

AbstractVitrimers exhibit a covalently crosslinked network structure, as is characteristic of classic thermosetting polymers. However, they are capable of rearranging their network topology by thermo‐activated associative exchange reactions when the topology freezing transition temperature (Tv) is exceeded. Despite the vast number of developed vitrimers, there is a serious lack of methods that enable a (spatially) controlled onset of these rearrangement reactions above Tv. Herein, we highlight the localized release of the efficient transesterification catalyst 1,5,7‐triazabicyclo[4.4.0]dec‐5‐ene (TBD) by the UV‐induced cleavage of a photolatent base within a covalently crosslinked thiol–epoxy network. Demonstrated with stress relaxation measurements conducted well above the network's Tv, only the controlled release of TBD facilitates the immediate onset of transesterification in terms of a viscoelastic flow. Moreover, the spatially resolved UV‐mediated photoactivation of vitrimeric properties is confirmed by permanent shape changes induced locally in the material.
Chemoselective Hydro(Chloro)pentafluorosulfanylation of Diazo Compounds with Pentafluorosulfanyl Chloride
Authors: Shou Jia‐Yi , Xu Xiu‐Hua , Qing Feng‐Ling 
Published: April 2021

AbstractPentafluorosulfanyl chloride (SF5Cl) is the most prevalent reagent for the incorporation of SF5 group into organic compounds. However, the preparation of SF5Cl often relies on hazardous reagents and specialized apparatus. Herein, we described a safe and practical synthesis of a bench‐stable and easy‐to‐handle solution of SF5Cl in n‐hexane under gas‐reagent‐free conditions. The synthetic application of SF5Cl was demonstrated through the unprecedented reaction with diazo compounds. The chemoselective hydro‐ and chloropentafluorosulfanylations of α‐diazo carbonyl compounds were developed in the presence of K3PO4 or copper catalyst, respectively. These reactions provide a direct and efficient access to various α‐pentafluorosulfanyl carbonyl compounds of high value for potential applications.
A Unified Approach for the Total Synthesis of cyclo‐Archaeol, iso‐Caldarchaeol, Caldarchaeol, and Mycoketide
Authors: Andringa Ruben L. H. , de Kok Niels A. W. , Driessen Arnold J. M. , Minnaard Adriaan J. 
Published: April 2021

AbstractIr‐catalyzed asymmetric alkene hydrogenation is presented as the strategy par excellence to prepare saturated isoprenoids and mycoketides. This highly stereoselective synthesis approach is combined with an established 13C‐NMR method to determine the enantioselectivity of each methyl‐branched stereocenter. It is shown that this analysis is fit for purpose and the combination allows the synthesis of the title compounds with a significant increase in efficiency.
Non‐Planar Perylene Bisimide Analogues with Inserted Carbonyl and Methylene Subunits
Authors: Odajima Mai , Tajima Keita , Fukui Norihito , Shinokubo Hiroshi 
Published: April 2021

AbstractThe synthesis and properties of dinaphthotropone bisimide (DNTrBI) and dinaphthocycloheptatriene bisimide (DNCHepBI) are described. Their molecular design is conceptually based on the insertion of a carbon atom into a perylene bisimide (PBI) core. These molecules adopt non‐planar structures due to the presence of a seven‐membered ring. The PBI derivative into which a carbonyl group was inserted (DNTrBI) immediately underwent nonradiative decay and/or intersystem crossing in its excited state. The PBI derivative into which a methylene group was inserted (DNCHepBI) was susceptible to deprotonation on account of the two electron‐withdrawing naphthalene monoimide units. Subsequent aerobic oxidation resulted in the formation of a C−C bond at the central methylene unit, thus affording a σ‐dimer. The formation of this C−C bond is dynamically redox‐active, i.e., electron injection into the σ‐dimer almost quantitatively regenerated the deprotonated DNCHepBI.
In situ deposition of silver nanoparticles on polydopamine‐coated manganese ferrite nanoparticles: Synthesis, characterization, and application to the degradation of organic dye pollutants as an efficient magnetically recyclable nanocatalyst
Authors: Gürbüz Mustafa Ulvi , Elmacı Gökhan , Ertürk Ali Serol 
Published: April 2021

The present paper reports a facile in situ synthesis strategy for the production of MnFe2O4@PDA‐Ag magnetically recyclable core–shell nanospheres by the deposition of silver nanoparticles (AgNPs) to the surface of MnFe2O4@PDA nanocomposites through the reduction of silver ions by the outer polydopamine (PDA) layer. The deposition of AgNPs over MnFe2O4@PDA was validated by scanning electron microscopy–energy‐dispersive X‐ray spectroscopy (SEM‐EDX), transmission electron microscopy (TEM), thermogravimetric analysis (TGA), X‐ray diffraction (XRD), and vibrating sample magnetometer (VSM) analysis. The catalytic reduction performance of the obtained MnFe2O4@PDA‐Ag nanospheres were tested over model organic dye pollutants (i.e., methylene blue [MB] and 4‐nitrophenol [4‐NP]) by sodium borohydride. Notably, the as‐prepared MnFe2O4@PDA‐Ag nanocatalyst exhibited significantly enhanced catalytic activity for the reduction of MB (296.52 s−1 g−1) and 4‐NP (92.02 s−1 g−1) compared with the other types of similar Ag‐ and PDA‐based catalytic systems in the recent literature. Moreover, the MnFe2O4@PDA‐Ag nanocatalyst showed excellent recyclability, ease of magnetic separation, and rapid and higher recovery ability with insignificant loss in their catalytic efficiencies even after several cyclic uses. The PDA coating on the surface of MnFe2O4 NPs allocates the surface functionalization for the building of novel catalyst systems. This work presents a simple and practicable for the synthesis of MnFe2O4@PDA‐Ag nanospheres that could have a great potential for the treatment of organic pollutants in wastewater and variety of applications in catalysis.
Guidelines in Practice: Environmental Cleaning
Authors: Link Terri 
Published: April 2021

ABSTRACTAll perioperative personnel are responsible for providing a clean environment for patients undergoing operative or other invasive procedures. A contaminated environment can contribute to the incidence of surgical site infections when a patient’s skin contacts a contaminated surface or personnel touch a contaminated surface and then transmit microbes to the patient. Airborne contaminants may settle on the sterile field or in the surgical wound. The AORN “Guideline for environmental cleaning” provides guidance on cleaning product selection, cleaning procedures, personnel education, competency verification, and monitoring cleanliness through performance improvement processes. This article discusses guideline recommendations for cleaning procedures and cleaning of operating and procedure rooms. A scenario describes how an ambulatory surgery center team identifies gaps in cleaning processes and modifies the cleaning checklist to improve these processes. Perioperative RNs should review the entire guideline for additional information when creating and updating policies and procedures for environmental cleaning.
Green cinnamaldehyde and thymol modified zinc oxide with double synergistic antibacterial effects in polypropylene
Authors: Shi Yanqin , Shen Jiaqi , Yang Dieshuang , Du Junnan , Lu Songyan , Ma Meng , He Huiwen , Chen Si , Wang Xu 
Published: April 2021

AbstractThe green cinnamaldehyde (CA) and thymol (THY) separately or successively modified O‐ZnO (O‐ZnO‐CA, O‐ZnO‐THY, and O‐ZnO‐CA‐THY) were prepared after (3‐aminopropyl) triethoxysilane (KH550) was grafted to the surface of ZnO (O‐ZnO) and characterized by FTIR, TGA, and SEM. Polypropylene composites (PP/O‐ZnO‐CA, PP/O‐ZnO‐THY, and PP/O‐ZnO‐CA‐THY) were prepared by melting the modified O‐ZnO and PP. The antibacterial tests showed that the antibacterial rate of PP/O‐ZnO‐CA and PP/O‐ZnO‐THY against S. aureus and E. coli was obviously enhanced. It indicated an excellent synergetic antibacterial effect of O‐ZnO and the little CA or THY grafted on the surface of O‐ZnO. The antibacterial effect of O‐ZnO‐CA and O‐ZnO‐THY was related to the hydrophobic and hydrophilic groups contained in CA and THY. Importantly, CA and THY in O‐ZnO‐CA‐THY exhibited another excellent synergetic antibacterial effect against both S. aureus and E. coli. The antibacterial rate of three PP composites containing 4 phr O‐ZnO‐CA‐THY against S. aureus and E. coli reached 95% and 90%, respectively. The mechanism was regarded as that CA and THY grafted onto the same O‐ZnO improved the contact probability between antibacterial agents and bacteria. Moreover, O‐ZnO‐CA, O‐ZnO‐THY, and O‐ZnO‐CA‐THY had excellent migration resistance in the PP matrix.
Synthesis of 5H‐indeno[1,2‐b]pyridine derivatives: Antiproliferative and antimetastatic activities against two human prostate cancer cell lines
Authors: Charris Katiuska E. , Rodrigues Juan R. , Ramírez Hegira , Fernandez‐Moreira Esteban , Ángel Jorge E. , Charris Jaime E. 
Published: April 2021

AbstractThis study describes the direct synthesis of 2‐amino‐4‐(phenylsubstituted)‐5H‐indeno[1,2‐b]pyridine‐3‐carbonitrile derivatives 5–21, through sequential multicomponent reaction of aromatic aldehydes, malononitrile, and 1‐indanone in the presence of ammonium acetate and acetic acid (catalytic). The biological study showed that compound 10 significantly impeded proliferation of the cell lines PC‐3, LNCaP, and MatLyLu. The antimetastatic effects of compound 10 could be related with inhibition of MMP9 in the PC‐3 and LNCaP human cell lines. On the basis of a study of the structure–activity relationship of these compounds, we propose that the presence of two methoxy groups at positions 6 and 7 of the indeno nucleus and a 4‐hydroxy‐3‐methoxy phenyl substitution pattern at position 4 of the pyridine ring is decisive for these types of molecules to exert very good antiproliferative and antimetastatic activities.
Understanding the attenuation of the accommodation recommendation spillover effect in view of spatial distance
Authors: Lai Shiyang , Fan Ningyuan 
Published: April 2021

AbstractThis brief communication aims to reveal whether the recommendation information's spillover effect decays with geographical distance. A unique dataset of Airbnb listings in Beijing is collected to perform an empirical analysis and a model simulation. The results of this study demonstrate that the spillover of listings' recommendation information decays with spatial distance and this decay follows a certain attenuation mode (i.e., has a certain attenuation rate and attenuation point). As one of the first to investigate the attenuation mechanism of information spillover, this communication enriches the current research on information transmission and brings a novel topic to the attention of the community.