bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gold Nanorod@Ruthenium Oxide Core–Shell Heterostructures: Synthesis, Single‐Particle Characterizations, and Enhanced Hot Electron Generation
Authors: Xie Hao , Wang Kaiyu , Li Yue , Zhao Fei , Ye Yang , Ye Weixiang , Ni Weihai 
Published: April 2021

AbstractA synthetic approach has been developed towards encapsulating gold nanorods (AuNRs) with conductive ruthenium oxide (RuO2) by the hydrolysis of ruthenium (III) acetylacetonate in the presence of cetyltrimethylammonium bromide (CTAB) in an autoclave. The reaction conditions are investigated systematically. The resultant AuNR@RuO2 heterostructures are encapsulated with uniform RuO2 shells and are monodispersed in aqueous solutions. Correlated dark‐field microscopic (DFM) and scanning electron microscopic (SEM) characterizations on AuNR@RuO2 nanostructures are performed at single‐particle level, providing the plasmonic properties in correspondence with the size and structure details of the core–shell nanostructures. The complex refractive indexes of RuO2 shell on single nanostructures are further determined by fitting the calculated spectra to the measured ones. Hot electron (HE) photocurrent measurement employing a photoelectrochemical cell shows the encapsulation of the AuNR with 8.2‐nm RuO2 shell results in a 2.9‐fold enhancement at 638 nm, in good agreement with the theoretical calculation. The calculation indicates enhancement ratio exceeding 50 at 800 nm. The mechanism behind is the substantial enhancement of the electric field inside the RuO2 shell as well as less loss in comparison to plasmonic metals, while the conductive nature of RuO2 allows for the transfer of HEs generated inside the shell to the environment.
Machine Learning Enabled Quickly Predicting of Detonation Properties of N‐Containing Molecules for Discovering New Energetic Materials
Authors: Hou Fang , Ma Yi , Hu Zheng , Ding Shining , Fu Haihan , Wang Li , Zhang Xiangwen , Li Guozhu 
Published: April 2021

AbstractEnergetic materials are widely used in the fields of military, civil engineering, and space exploration. The discovery of new energetic materials is essential to develop next‐generation technologies of weapon, mining, construction, and rocket propelling. In this study, a machine‐learning‐assisted method is developed for accelerating the discovery of new energetic materials via efficient prediction and quick screening. Suitable neural networks are established for accurately predicting the detonation properties of various N‐containing molecules based on their structures, including density (ρ), detonation velocity (D), and detonation pressure (P). Then, the minimum database volume for high‐precision extended prediction is determined. A proof‐of‐concept study for discovering new energetic compounds using machine learning is carried out, and 31 new N‐containing molecules with outstanding detonation properties are discovered. It is expected that the development of next‐generation energetic materials is greatly accelerated by the application of this strategy assisted by machine learning.
Halogen‐Bonded Organic Framework (XOF) Based on Iodonium‐Bridged N⋅⋅⋅I+⋅⋅⋅N Interactions: A Type of Diphase Periodic Organic Network
Authors: Gong Guanfei , Lv Siheng , Han Jixin , Xie Fei , Li Qian , Xia Ning , Zeng Wei , Chen Yi , Wang Lu , Wang Jike , Chen Shigui 
Published: April 2021

AbstractDue to the fascinating structures and wide applications, porous materials with open frameworks have attracted more and more attentions. Herein, a novel two‐dimensional (2D) halogen‐bonded organic framework (XOF–TPPE) was successfully designed and fabricated by iodonium‐bridged N⋅⋅⋅I+⋅⋅⋅N interactions between pyridyl groups and I+ for the first time. The formation of XOF–TPPE and its linear analogue was monitored by 1H NMR, UV–Vis, X‐ray photoelectron spectroscopy (XPS), IR, SEM, TEM, HRTEM and selected‐area electron diffraction (SAED). The structural model of XOF–TPPE was established based on powder X‐ray diffraction (PXRD) data and theoretical simulations. Significantly, synchrotron small‐angle X‐ray scattering (SAXS), DLS and UV–Vis spectroscopy experiments suggested that XOF–TPPE still maintains a stable 2D framework structure in solutions. This research opens up a novel avenue for the development of organic frameworks materials, and may bring new promising applications for the field of porous materials.
A Promising NIR‐II Fluorescent Sensor for Peptide‐Mediated Long‐Term Monitoring of Kidney Dysfunction
Authors: Chen Ying , Pei Peng , Lei Zuhai , Zhang Xin , Yin Dongrui , Zhang Fan 
Published: April 2021

AbstractKidney disease is usually “silent” at the early stage but can lead to severe kidney failure later on. The development of bioimaging probes with rapid distribution and long‐term retention in the kidney is significant for the precise diagnosis of renal diseases. Here, a strategy for the peptide‐mediated delivery and long‐term accumulation (>48 h) of second near‐infrared window (NIR‐II) fluorophores into the kidney is demonstrated. It is shown that both the hepatic‐cleared organic molecules and fast renal‐cleared ultrasmall nanoparticles can be retained in the kidney after conjugation to the peptide with high polarity. Moreover, a ROS‐responsive activatable bilateral NIR‐II sensor was designed based on the kidney targeting peptide, which enables both in vivo long‐term kidney monitoring and in vitro urine analysis. The capability of the peptide‐based sensor to detect early kidney injury and report on kidney dysfunctional progression is particularly crucial for chemotherapy regimen optimization and timely renoprotective intervention during medication.
Enantioselective Total Syntheses of Manginoids A and C and Guignardones A and C
Authors: Zong Yan , Xu Ze‐Jun , Zhu Rong‐Xiu , Su Ai‐Hong , Liu Xu‐Yuan , Zhu Ming‐Zhu , Han Jing‐Jing , Zhang Jiao‐Zhen , Xu Yu‐Liang , Lou Hong‐Xiang 
Published: April 2021

AbstractAn enantioselective synthetic approach for preparing manginoids and guignardones, two types of biogenetically related meroterpenoids, is reported. This bioinspired and divergent synthesis employs an oxidative 1,3‐dicarbonyl radical‐initiated cyclization and cyclodehydration of the common precursor to forge the central ring of the manginoids and guignardones, respectively, at a late stage. Key synthetic steps include silica‐gel‐promoted semipinacol rearrangement to form the 6‐oxabicyclo[3.2.1]octane skeleton and the Suzuki–Miyaura reaction of vinyl bromide to achieve fragment coupling. This synthesis protocol enables the asymmetric syntheses of four fungal meroterpenoids from commercially available materials.
Electrochemical Measurements Reveal Reactive Oxygen Species in Stress Granules**
Authors: Hu Keke , Relton Emily , Locker Nicolas , Phan Nhu T. N. , Ewing Andrew G. 
Published: April 2021

AbstractStress granules (SGs) are membrane‐less organelles that assemble in the cytoplasm to organize cellular contents and promote rapid adaptation during stress. To understand how SGs contribute to physiological functions, we used electrochemical measurements to detect electroactive species in SGs. With amperometry, we discovered that reactive oxygen species (ROS) are encapsulated inside arsenite‐induced SGs, and H2O2 is the main species. The release kinetics of H2O2 from single SGs and the number of H2O2 molecules were quantified. The discovery that SGs contain ROS implicates them as communicators of the cellular stresses rather than a simple endpoint. This may explain how SGs regulate cellular metabolism and stress responses. This may also help better understand their cytoprotective functions in pathological conditions associated with SGs such as neurodegenerative diseases (NDs), cancers and viral infections.
Direct and Enantioselective Aldol Reactions Catalyzed by Chiral Nickel(II) Complexes
Authors: Kennington Stuart C. D. , Teloxa Saul F. , Mellado‐Hidalgo Miguel , Galeote Oriol , Puddu Sabrina , Bellido Marina , Romea Pedro , Urpí Fèlix , Aullón Gabriel , Font‐Bardia Mercè 
Published: April 2021

AbstractA direct and asymmetric aldol reaction of N‐acyl thiazinanethiones with aromatic aldehydes catalyzed by chiral nickel(II) complexes is reported. The reaction gives the corresponding O‐TIPS‐protected anti‐aldol adducts in high yields and with remarkable stereocontrol and atom economy. Furthermore, the straightforward removal of the achiral scaffold provides enantiomerically pure intermediates of synthetic interest, which involve precursors for anti‐α‐amino‐β‐hydroxy and α,β‐dihydroxy carboxylic derivatives. Theoretical calculations explain the observed high stereocontrol.
Green preparation of thermal and solvent resistant poly (tetrafluoroethylene‐co‐perfluoropropylvinyl ether) hollow fiber membrane for organic solvent recycling
Authors: Chen Kaikai , Shu Xi , Xiao Changfa , Zhang Tai , Ling Haoyang 
Published: April 2021

AbstractSo far, the organic solvent recycling still has great challenges. Herein, the thermal and solvent resistant poly (tetrafluoroethylene‐co‐perfluoropropylvinyl ether) (PFA) hollow fiber membranes (TS‐PFA HFMs) were continuously designed by on‐line compound technique for organic solvent recycling. The experiment results indicated that the increased sintering temperature brought about the porous surface and loose internal cavity structures. Importantly, the membrane exhibited the excellent thermal resistance at 70°C working condition. Furthermore, part of the poly (vinyl alcohol) was retained in the membrane which was competent to create synergistic effects, and endowed the membrane with not only favorable elasticity but also remarkable hot water resistance. Finally, the excellent organic solvent recycling ability of the membrane was demonstrated in simulated non‐aqueous solvent dyeing system. Specifically, no organic solvents or other hazardous substances were used during the fabrication process, which can realize the green preparation of the membrane.
Nanostructured Si−C Composites As High‐Capacity Anode Material For All‐Solid‐State Lithium‐Ion Batteries**
Authors: Poetke Stephanie , Hippauf Felix , Baasner Anne , Dörfler Susanne , Althues Holger , Kaskel Stefan 
Published: April 2021

AbstractSilicon carbon void structures (Si−C) are attractive anode materials for lithium‐ion batteries to cope with the volume changes of silicon during cycling. In this study, Si−C with varying Si contents (28–37 %) are evaluated in all‐solid‐state batteries (ASSBs) for the first time. The carbon matrix enables enhanced performance and lifetime of the Si−C composites compared to bare silicon nanoparticles in half‐cells even at high loadings of up to 7.4 mAh cm−2. In full cells with nickel‐rich NCM (LiNi0.9Co0.05Mn0.05O2, 210 mAh g−1), kinetic limitations in the anode lead to a lowered voltage plateau compared to NCM half‐cells. The solid electrolyte (Li6PS5Cl, 3 mS cm−1) does not penetrate the Si−C void structure resulting in less side reactions and higher initial coulombic efficiency compared to a liquid electrolyte (72.7 % vs. 31.0 %). Investigating the influence of balancing of full cells using 3‐electrode ASSB cells revealed a higher delithiation of the cathode as a result of the higher cut‐off voltage of the anode at high n/p ratios. During galvanostatic cycling, full cells with either a low or rather high overbalancing of the anode showed the highest capacity retention of up to 87.7 % after 50 cycles.
Can a monthly exenatide extended release regimen provide a therapeutic and cost benefit?
Authors: Elkeeb Rania , Eid Tony , Yu Janie , Nguyen Hang , Atef Eman 
Published: April 2021

AbstractExenatide is used to treat type 2 diabetes mellitus. The current regimen is a 2 mg extended release (ER) weekly injection. The aim of our study was to prove the efficacy of exenatide ER if administered once‐monthly. The proposed monthly dose was based on an Excel simulation using pharmacokinetic parameters extracted using Plot Digitizer® (version 2.6.8) from Cirincione et al. (2017), as well as accounting for the exenatide ER formulation characteristics, in vivo and in vitro exenatide stability. A PBPK model of exenatide molecule was developed using (Simcyp® version 19) based on data from in vitro and clinical PK studies. The model was used to confirm the Excel simulation findings of the effectiveness of exenatide ER monthly in maintaining the plasma level above the minimum effective concentration (MEC). Our simulation from Excel and Simcyp® showed that the drug plasma levels of the once monthly ER dose maintained a steady state concentration (Css) above the MEC. The simulated Excel plasma level ranged from Cmin to Cmax of 60–130ng/L, respectively. The exenatide compound was successfully modeled and used to predict the Css of the ER monthly dose. The Simcyp® simulated Css of the ER was 117 ng/L. A monthly exenatide ER dose provides a plasma level within the therapeutic range. This new proposed dose has a significant pharmacoeconomic benefit and could well improve patient adherence.
Study of Stability and Proton Conductivity of Zn‐based Metal–Organic Framework
Authors: Son Younghu , Rao Purna Chandra , Kim Jiyun , Park Gyungse , Yoon Minyoung 
Published: April 2021

Among the various types of solid‐state proton conductors (SSPCs), metal–organic frameworks (MOFs) have emerged as significant importance in the field of proton‐exchange membrane fuel‐cell (PEMFCs) applications. Herein, we have synthesized a three‐dimensional trinuclear zinc‐based metal–organic framework, denoted as Zn‐SDC‐MOF by modification of reported synthetic conditions, where stilbenedicarboxylic acid (H2SDC) and 4,4′‐bipyridine (bpy) are employed as an organic linker unit. With motivation of air stable trinuclear Zn‐SDC MOFs, we have analyzed the water stability behavior of this compound. It resulted in exceptional water stability performance over 3 weeks as confirmed by powder X‐ray diffraction (PXRD) analysis. Moreover, this MOF compounds have shown modest proton conductive performance of 0.8 × 10−3 S cm−1, at 95% relative humidity (RH) and 298 K.
Investigating the link between managers' green knowledge and leadership style, and their firms' environmental performance: The mediation role of green creativity
Authors: Riva Farzana , Magrizos Solon , Rubel Mohammad Rabiul Basher 
Published: April 2021

AbstractDespite extensive literature on green hotel management and sustainability, scant attention has been given on the role of managers to solve environmental related issues. This study's aim is to assess the effects of managers' green knowledge and green transformational leadership on firms' environmental performance with the mediating effect of green creativity. The study analyzes the perceptions of 363 employees in different managerial positions of the hotel industry employing Partial Last Square Structural Equation Modeling. The findings of the study show a positive effect of green knowledge and green transformational leadership on green creativity and green transformational leadership on environmental performance. Furthermore, green creativity is also found to have significant mediating effect between green knowledge and environmental performance, and green transformational leadership and environmental performance relations. The main implication of the current research is that managers' green concerns might help the stakeholders in the hotel industry to respond through appropriate green initiatives for their organizations. Further suggestions for literature and practice are discussed.
Flexible Assembly of Engineered Tetrahymena Ribozymes Forming Polygonal RNA Nanostructures with Catalytic Ability
Authors: Mori Yuki , Oi Hiroki , Suzuki Yuki , Hidaka Kumi , Sugiyama Hiroshi , Endo Masayuki , Matsumura Shigeyoshi , Ikawa Yoshiya 
Published: April 2021

AbstractRibozymes with modular architecture constitute an attractive class of structural platforms for design and construction of nucleic acid nanostructures with biological functions. Through modular engineering of theTetrahymenaribozyme, we have designed unit RNAs (L‐RNAs), assembly of which formed ribozyme‐based closed trimers and closed tetramers. Their catalytic activity was dependent on oligomer formation. In this study, the structural variety of L‐RNA oligomers was extended by tuning their structural elements, yielding closed pentamers and closed hexamers. Their assembly properties were analyzed by electrophoretic mobility shift assay (EMSA) and atomic force microscopy (AFM).
Complications and failure modes of coronary embolic protection devices: Insights from the MAUDE database
Authors: Megaly Michael , Morcos Ramez , Khalil Charl , Garcia Santiago , Basir Mir , Maini Brijeshwar , Khalili Houman , Burke M Nicholas , Alaswad Khaldoon , Brilakis Emmanouil S. 
Published: April 2021

AbstractBackgroundThere is limited data on complications associated with the use of coronary embolic protection devices (EPDs).MethodsWe queried the Manufacturer and User Facility Device Experience database between November 2010 and November 2020 for reports on coronary EPDs: Spider FX (Medtronic, Minneapolis, MN) and Filterwire EZ (Boston Scientific, Natick, MA).ResultsWe retrieved 119 reports on coronary EPD failure (Spider FX n = 33 and Filterwire EZ n = 86), most of which (78.2%) occurred during saphenous vein graft interventions. The most common failure mode was inability to retrieve the EPD (49.6%), with the filter trapped against stent struts in 76.2% of the cases. Other device complications included filter fracture (28.6%), failure to cross (7.6%), failure to deploy (7.6%), and failure to recapture the filter (3.4%). Filter fracture (54.5 vs. 29.1%) and failure to recapture (9.1 vs. 2.1%) were more commonly reported, while failure to deploy the filter (0 vs. 10.5%) was less commonly reported with the Spider‐FX.ConclusionsThe most common modes of failure of coronary EPDs are the failure of retrieval (49.6%), followed by the filter fracture (28.6%). When using EPDs, careful attention to the technique is essential to avoid failures and subsequent complications.
Pyrroloquinoline Quinone Aza‐Crown Ether Complexes as Biomimetics for Lanthanide and Calcium Dependent Alcohol Dehydrogenases**
Authors: Vetsova Violeta A. , Fisher Katherine R. , Lumpe Henning , Schäfer Alexander , Schneider Erik K. , Weis Patrick , Daumann Lena J. 
Published: April 2021

AbstractUnderstanding the role of metal ions in biology can lead to the development of new catalysts for several industrially important transformations. Lanthanides are the most recent group of metal ions that have been shown to be important in biology, that is, in quinone‐dependent methanol dehydrogenases (MDH). Here we evaluate a literature‐known pyrroloquinoline quinone (PQQ) and 1‐aza‐15‐crown‐5 based ligand platform as scaffold for Ca2+, Ba2+, La3+ and Lu3+ biomimetics of MDH and we evaluate the importance of ligand design, charge, size, counterions and base for the alcohol oxidation reaction using NMR spectroscopy. In addition, we report a new straightforward synthetic route (3 steps instead of 11 and 33 % instead of 0.6 % yield) for biomimetic ligands based on PQQ. We show that when studying biomimetics for MDH, larger metal ions and those with lower charge in this case promote the dehydrogenation reaction more effectively and that this is likely an effect of the ligand design which must be considered when studying biomimetics. To gain more information on the structures and impact of counterions of the complexes, we performed collision induced dissociation (CID) experiments and observe that the nitrates are more tightly bound than the triflates. To resolve the structure of the complexes in the gas phase we combined DFT‐calculations and ion mobility measurements (IMS). Furthermore, we characterized the obtained complexes and reaction mixtures using Electron Paramagnetic Resonance (EPR) spectroscopy and show the presence of a small amount of quinone‐based radical.
Temperature‐Triggered Structural Dynamics of Non‐Coordinating Guest Moieties in a Fluorescent Actinide Polyrotaxane Framework
Authors: Li Fei‐ze , Geng Jun‐shan , Hu Kong‐qiu , Zeng Li‐wen , Wang Jing‐yang , Kong Xiang‐he , Liu Ning , Chai Zhi‐fang , Mei Lei , Shi Wei‐qun 
Published: April 2021

AbstractWe present here the synthesis of a novel fluorescent actinide polyrotaxane compoundURCP1through the utilization of an end‐cutting pseudorotaxane precursor with only the cucurbit[6]uril (CB[6]) macrocyclic components acting as linking struts. The non‐coordinating guest motif in the obtained polyrotaxane, with increased freedom and structural flexibility, can display intriguing temperature‐triggered conformational variations inside the cavity of CB[6], which was clearly evidenced by crystallographic snapshots at different temperatures. Notably, this observation of temperature‐triggered structural dynamics inURCP1represents the first report of actinide polyrotaxane with such feature in solid‐state. Moreover,URCP1has a high photoluminescence quantum yield (PLQY) of 49.8 %, comparable to other luminescent uranyl compounds, and can work as a fluorescent probe to selectively detect Fe3+over other eight competing cations in aqueous solution, with the limit of detection being as low as 4.4×10−3 ppm.
Processus de formation délibéré des capacités organisationnelles: Analyse comparée appliquée aux capacités opérationnelles et dynamiques
Authors: Slaouti Abdenour 
Published: April 2021

AbstractManagers often face the need to renew their capabilities in dynamic markets. To increase their chances of success, we first offer a model of the capability‐building process that details five interconnected phases as well as the precautions and conditions to be taken into account for its completion. Our subsequent analysis of 29 empirical studies shows the advantages of integrating the routines of new capabilities, and this, for a successful process. Finally, we identify four situations around the formation of distinct capabilities, which should enlighten managers in their decision‐making in relation to the construction of new organizational capabilities.
A learner's journey towards a chemical engineering degree
Authors: Nease Jake , Leung Vincent , Ebrahimi Shelir , Levinson Beth , Puri Ishwar K. , Filipe Carlos D. M. 
Published: April 2021

AbstractThe overall goal of any engineering program is to maximize the capacity of its graduates to succeed academically and professionally. We describe how a path can be designed for learners to proceed towards this goal and describe the rationale used to create its foundational steps. It begins with a summer bridge program for incoming students before entering university as first‐year undergraduates. Since the prior knowledge of these learners is not uniform, the bridge program is designed to provide opportunities for them to become better prepared academically for first‐year engineering. These students thus transition to university‐level learning more smoothly. In their first year, students work in groups to tackle socially relevant projects through an integrated 13‐unit course that is designed based on integrated learning, collaboration, problem‐solving, community engagement, and communication. Since teaching and learning using this approach is unusual and challenging, the curriculum must be carefully designed and implemented with adequate resources in place, particularly for cohorts of more than 1000 students in our case who work in small four or five‐member teams. In upper years, learning in chemical engineering is enriched by conducting discovery‐based workshops where students work on engineering problems requiring the application of new mathematical concepts. Finally, we describe a hybrid method for testing and assessment, where learners take tests individually, following which they are also provided with the option to retake these tests in groups to promote collaborative learning. Retaking tests in teams enhances the ability of learners to reflect and learn from mistakes and promotes peer mentoring.