bluuebunny/crossref_metadata_2025_split huggingface dataset:
Association of the age shock index with coronary plaque characteristics in ST‐segment elevation myocardial infarction: A 3‐vessel optical coherence tomography study
Authors: Zhao Linlin , Du Zhuo , Wu Tianyu , Cao Muhua , Wang Yini , Zhao Jiawei , Dong Hui , Wang Chao , Jia Haibo , Yu Bo 
Published: March 2021

AbstractObjectivesWe investigated whether the age shock index (SI) was associated with coronary plaque characteristics in patients with ST‐segment elevation myocardial infarction (STEMI) using optical coherence tomography (OCT).BackgroundThe age SI is a simple clinical parameter that effectively predicts poor clinical outcomes among patients with STEMI.MethodsThis retrospective study evaluated 408 STEMI patients who underwent 3‐vessel OCT during emergency percutaneous coronary interventions at a single center between January 2017 and October 2018. Patients were divided into groups with low or high age SI values (<41 vs. ≥41). Plaque characteristics were compared between the two groups for both culprit lesions (n = 408) and non‐culprit lesions (n = 1,077).ResultsIn culprit lesions, patients with a high age SI (≥41) were more likely to have plaque rupture (61.0% vs. 56.8%, p = .002) and thinner fibrous caps (fibrous cap thickness [FCT]: 40.0 [33.0–53.0] μm vs. 46.0 [36.0–63.8] μm, p = .021). In non‐culprit lesions, patients with a high age SI were more likely to have high‐risk plaques (29.9% vs. 17.8%, p = .018; simultaneous presence of a minimal lumen area of <3.5 mm2, maximum lipid arc of >180°, FCT of <75 μm, and macrophage accumulation). Plaque‐based analyses revealed that patients with a high age SI had larger lipid cores and lesser FCT.ConclusionsPatients with STEMI and a high age SI had increased risks of culprit plaque rupture and high‐risk non‐culprit plaques, and vulnerable plaque features at the culprit and non‐culprit lesions. Therefore, a high age SI in patients with STEMI may indicate greater pancoronary vulnerability.
Statin‐associated necrotizing autoimmune myopathy with concurrent myasthenia gravis
Authors: Frasson Emma , Simonetto Marco , Bertolasi Laura , Caneve Giorgio , Vilotti Cristina , Ruzza Giampietro , Perelli Anna , Piccinno Maria Grazia , Monaco Salvatore 
Published: March 2021

AbstractStatin treatment has been associated with necrotizing autoimmune myopathy and has been linked to myasthenia gravis. We present an unprecedented clinical challenge with both disorders occurring in a patient treated with statins few months earlier.
Management of perioperative acute massive pulmonary embolism: A case series
Authors: Kim Ji‐Yoon , Lee Young‐Seok , Park Hyun Oh , Shin Il Woo 
Published: March 2021

AbstractThe management of acute massive pulmonary embolism during the perioperative period is challenging. Accurate diagnosis using echocardiography and application of rapid extracorporeal membrane oxygenation can improve patients' outcomes.
One‐Pot Palladium‐Catalyzed Carbonylative Sonogashira Coupling using Carbon Dioxide as Carbonyl Source
Authors: Xiong Wenfang , Wu Bowen , Zhu Baiyao , Tan Xiaobin , Wang Lu , Wu Wanqing , Qi Chaorong , Jiang Huanfeng 
Published: March 2021

AbstractCarbonylation coupling reaction has emerged as a powerful and versatile strategy for the construction of carbonyl‐containing compounds in modern synthetic chemistry over the past years. Carbon dioxide, a renewable one carbon molecule, has become one of the most attractive and promising alternative carbonyl sources due to its highly abundance, nontoxicity and stability in comparison with CO in recent years. However, in most cases, a two‐chamber technique was generally necessary to allow the CO‐producing and CO‐consuming processes to perform successfully because of the complexities and incompatibility of reaction conditions, when carbon dioxide was utilized as carbonyl source. Herein, a practical one‐pot protocol using carbon dioxide as the carbonyl source for the palladium‐catalyzed carbonylative Sonogashira coupling has been established, providing an expedient and practical route to a wide range of functionalized alkynones and indoxyls under mild reaction conditions. By finding a suitable catalytic system, the method allowed the CO‐generating and CO‐consuming processes to proceed in one pot, wherein carbon monoxide was generated in situ from the reduction of carbon dioxide in the absence of any fluoride reagents. Simple and safe operation, readily available substrates, good functional group tolerance and mild reaction conditions are the features of the method.
Modeling of Fixed‐Bed Rapid Temperature Swing Adsorber for Butanol Dehydration
Authors: Mansouri Mohsen , Azizi Hamid Reza , Setareshenas Naimeh 
Published: March 2021

AbstractA fixed‐bed system of rapid temperature swing adsorption (RTSA), which uses a solid absorbent for dehydration of butanol, was studied. The packed bed was simulated using proper partial and algebraic equations which were solved by the central difference method in MATLAB software. The equilibrium relationship and fixed‐bed breakthrough curves were determined experimentally. The value of unknown parameters such as equilibrium constants, liquid film mass transfer coefficient, intraparticle diffusion coefficient, and axial diffusivity were estimated by appropriate equations. The model fitted well to experimental breakthrough data. The results proved that it would be possible to operate a complete RSTA cycle in just a few hours to allow a large quantity of organic solvent dehydrated with reasonable concentration.
Excited State Properties of Lanthanide(III) Complexes with a Nonadentate Bispidine Ligand
Authors: Abad‐Galán Laura , Cieslik Patrick , Comba Peter , Gast Michael , Maury Olivier , Neupert Lucca , Roux Amandine , Wadepohl Hubert 
Published: March 2021

AbstractEuIII, TbIII, GdIII and YbIII complexes of the nonadentate bispidine derivative L2 (bispidine=3,7‐diazabicyclo[3.3.1]nonane) were successfully synthesized and their emission properties studied. The X‐ray crystallography reveals full encapsulation by the nonadentate ligand L2 that enforces to all LnIII cations a common highly symmetrical capped square antiprismatic (CSAPR) coordination geometry (pseudo C4v symmetry). The well‐resolved identical emission spectra in solid state and in solution confirm equal structures in both media. As therefore expected, this results in long‐lived excited states and high emission quantum yields ([EuIIIL2]+, H2O, 298 K, τ=1.51 ms, ϕ=0.35; [TbIIIL2]+, H2O, 298 K, τ=1.95 ms, ϕ=0.68). Together with the very high kinetic and thermodynamic stabilities, these complexes are a possible basis for interesting biological probes.
Imide Condensation as a Strategy for the Synthesis of Core‐Diversified G‐Quadruplex Ligands with Anticancer and Antiparasitic Activity**
Authors: Street Steven T. G. , Peñalver Pablo , O'Hagan Michael P. , Hollingworth Gregory J. , Morales Juan C. , Galan M. Carmen 
Published: March 2021

AbstractA facile imide coupling strategy for the one‐step preparation of G‐quadruplex ligands with varied core chemistries is described. The G‐quadruplex stabilization of a library of nine compounds was examined using FRET melting experiments, and CD, UV‐Vis, fluorescence and NMR titrations, identifying several compounds that were capable of stabilizing G‐quadruplex DNA with interesting selectivity profiles. The best G4 ligand was identified as compound 3, which was based on a perylene scaffold and exhibited 40‐fold selectivity for a telomeric G‐quadruplex over duplex DNA. Surprisingly, a tetra‐substituted flexible core, compound 11, also exhibited selective stabilization of G4 DNA over duplex DNA. The anticancer and antiparasitic activity of the library was also examined, with the lead compound 3 exhibiting nanomolar inhibition of Trypanosoma brucei with 78‐fold selectivity over MRC5 cells. The cellular localization of this compound was also studied via fluorescence microscopy. We found that uptake was time dependant, with localization outside the nucleus and kinetoplast that could be due to strong fluorescence quenching in the presence of small amounts of DNA.
In Situ Nitrogen Retention of Carbon Anode for Enhancing the Electrochemical Performance for Sodium‐Ion Battery
Authors: Shi Hui , Wang Ziheng , Ouyang Qin , Hao Jianwei , Huang Xianbo 
Published: March 2021

AbstractRetaining nitrogen for polyacrylonitrile (PAN) based carbon anode is a cost‐effective way to make full use of the advantages of PAN for sodium‐ion batteries (SIBs). Here, a simple strategy has been successfully adopted to retain N atoms in situ and increase production yield of a novel composite PAZ by mixing 3 wt % of zinc borate (ZB) with poly (acrylonitrile‐co‐itaconic acid) (PANIA). Among the prepared carbonised fibre (CF) samples, PAZ‐CF‐700 maintains the highest N content, retaining 90 % of the original N from PANIA. It represents the highest capacity storage contribution (80.55 %) and the lowest impedance Rct (117 Ω). Consequently, the specific capacity increases from 60 mAh g−1 of PANIA‐CF‐700 to 190 mAh g−1 of PAZ‐CF‐700 at a current density of 100 mA g−1. At the same time, PAZ‐CF‐700 exhibits a good rate performance and excellent long‐term cycling stability with a specific capacity of 94 mAh g−1 after 4000 cycles at 1.6 A g−1.
Na2FePO4F/Biocarbon Nanocomposite Hollow Microspheres Derived from Biological Cell Template as High‐Performance Cathode Material for Sodium‐Ion Batteries
Authors: Li Haiming , Wang Tailin , Wang Xue , Li Guangda , Shen Jianxing , Chai Jinling 
Published: March 2021

AbstractWe have successfully synthesized Na2FePO4F/biocarbon nanocomposite hollow microspheres from FeIIIprecursor as cathodes for sodium‐ion batteries through self‐assembly of yeast cell biotemplate and sol‐gel technology. The carbon coating on the nanoparticle surface with a mesoporous structure enhances electron diffusion into Na2FePO4F crystal particles. The improved electrochemical performance of Na2FePO4F/biocarbon nanocomposites is attributed to the larger electrode−electrolyte contact area and more active sites for Na+on the surface of hollow microspheres compared with those of Na2FePO4F/C. The Na2FePO4F/biocarbon nanocomposite exhibits a high initial discharge capacity of 114.3 mAh g−1at 0.1 C, long‐cycle stability with a capacity retention of 74.3 % after 500 cycles at 5 C, and excellent rate capability (70.2 mAh g−1at 5 C) compared with Na2FePO4F/C. This novel nanocomposite hollow microsphere structure is suitable for improving the property of other cathode materials for high‐power batteries.
Effect of Manganese Valence on Specific Capacitance in Supercapacitors of Manganese Oxide Microspheres
Authors: Chen Xing , Li Lei , Wang Xiaoli , Xie Kun , Wang Yuqiao 
Published: March 2021

AbstractManganese oxides have attracted great interest in electrochemical energy storage due to high theoretical specific capacitance and abundant valence states. The multiple valence states in the redox reactions are beneficial for enhancing the electrochemical properties. Herein, three manganese microspheres were prepared by a one‐pot hydrothermal method and subsequent calcination at different temperatures using carbon spheres as templates. The trivalent manganese of Mn2O3 exhibited multiple redox transitions of Mn3+/Mn2+ and Mn4+/Mn3+ during the intercalation/deintercalation of electrolyte ions. The possible redox reactions of Mn2O3 were proposed based on the cyclic voltammetry and differential pulse voltammogram results. Mn2O3 microsphere integrated the advantages of multiple redox couples and unique structure, demonstrating a high specific capacitance and long cycling stability. The symmetric Mn2O3//Mn2O3 device yielded a maximum energy density of 29.3 Wh kg−1 at 250 W kg−1.
Spectroscopic Studies of Synthetic Methylaluminoxane: Structure of Methylaluminoxane Activators
Authors: Joshi Anuj , Collins Scott , Linnolahti Mikko , Zijlstra Harmen S. , Liles Elena , McIndoe J. Scott 
Published: March 2021

AbstractHydrolysis of trimethylaluminum (Me3Al) in polar solvents can be monitored by electrospray ionization mass spectrometry (ESI‐MS) using the donor additive octamethyltrisiloxane [(Me3SiO)2SiMe2, OMTS]. Using hydrated salts, hydrolytic methylaluminoxane (h‐MAO) features different anion distributions, depending on the conditions of synthesis, and different activator contents as measured by NMR spectroscopy. Non‐hydrolytic MAO was prepared using trimethylboroxine. The properties of this material, which contains incorporated boron, differ significantly from h‐MAO. In the case of MAO prepared by direct hydrolysis, oligomeric anions are observed to rapidly form, and then more slowly evolve into a mixture dominated by an anion with m/z 1375 with formula [(MeAlO)16(Me3Al)6Me]−. Theoretical calculations predict that sheet structures with composition (MeAlO)n(Me3Al)m are favoured over other motifs for MAO in the size range suggested by the ESI‐MS experiments. A possible precursor to the m/z 1375 anion is a local minimum based on the free energy released upon hydrolysis of Me3Al.
Dual‐Functional Mesoporous Copper(II) Metal‐Organic Frameworks for the Remediation of Organic Dyes
Authors: Au Vonika Ka‐Man , Kwan Shuk Ying , Lai Mio Nga , Low Kam‐Hung 
Published: March 2021

AbstractBy using tritopic and ditopic organic linkers derived from the same 2,4,6‐triphenylpyridine core, copper(II) metal‐organic frameworks with different three‐dimensional structures have been successfully synthesized under ambient conditions. The crystalline framework, PTBMOF ([Cu3(PTB)2(H2O)3]n, where H3PTB=4,4′,4′′‐(pyridine‐2,4,6‐triyl)tribenzoic acid, was observed to be mesoporous in nature and exhibited dual functionality in the removal of organic dyes. While cationic dyes such as methylene blue and malachite green, which are of different sizes, were adsorbed by PTBMOF; anionic dyes such as tartrazine could be effectively degraded in a photo‐Fenton‐like reaction catalyzed by the MOFs under irradiation with visible light.
The Mechanism of Cleavage of RNA Phosphodiesters by a Gold Nanoparticle Nanozyme
Authors: Czescik Joanna , Mancin Fabrizio , Strömberg Roger , Scrimin Paolo 
Published: March 2021

AbstractThe cleavage of uridine 3’‐phosphodiesters bearing alcohols with pKa ranging from 7.14 to 14.5 catalyzed by AuNPs functionalized with 1,4,7‐triazacyclononane‐Zn(II) complexes has been studied to unravel the source of catalysis by these nanosystems (nanozymes). The results have been compared with those obtained with two Zn(II) dinuclear catalysts for which the mechanism is fairly understood. Binding to the Zn(II) ions by the substrate and the uracil of uridine was observed. The latter leads to inhibition of the process and formation of less productive binding complexes than in the absence of the nucleobase. The nanozyme operates with these substrates mostly via a nucleophilic mechanism with little stabilization of the pentacoordinated phosphorane and moderate assistance in leaving group departure. This is attributed to a decrease of binding strength of the substrate to the catalytic site in reaching the transition state due to an unfavorable binding mode with the uracil. The nanozyme favors substrates with better leaving groups than the less acidic ones.
Anthrathiadiazole Derivatives: Synthesis, Physical Properties and Two‐photon Absorption
Authors: Fan Mingxuan , Chen Guangsheng , Xiang Yu , Li Junbo , Yu Xianglin , Zhang Wenying , Long Xueting , Xu Liang , Wu Jinjun , Xu Ze , Zhang Qichun 
Published: March 2021

AbstractAnthrathiadiazole is a key synthon for the construction of large azaacenes, however, the attachment of different substituents onto the skeleton of anthrathiadiazole is difficult but highly desirable because it could be easy to enrich the structures of azaacenes. Here, it is demonstrated that anthrathiadiazole derivatives with −Br, −CN, and −OCH3 groups could be easily constructed through a simple [4+2] cycloaddition reaction between a,a,a’,a’‐tetrabromo‐o‐xylenes derivatives and benzo[c][1,2,5]thiadiazole‐4,7‐dione. The structures of the as‐prepared compounds with different substituents were carefully characterized. Moreover, the basic physical properties of the as‐prepared anthrathiadiazole derivatives were fully investigated, where the cyano‐substituted derivative (BTH‐CN) has the highest stability and the methoxy‐substituted derivative (BTH‐OCH3) is easy to be oxidized. Moreover, the two‐photon absorption (TPA) characteristics of different anthrathiadiazoles are also studied by using the femtosecond Z‐scan technique. The results show that the fused anthrathiadiazole skeletons possess large TPA cross‐section values δ2 in the range of 3000–5000 GM, where the nature, position and strength of the substituted groups have strong effect on these values.
Ultraviolet‐Cured Semi‐Interpenetrating Network Polymer Electrolytes for High‐Performance Quasi‐Solid‐State Lithium Metal Batteries
Authors: Xie Hui‐xin , Fu Qian‐gang , Li Zhuo , Chen Shuang , Wu Jia‐min , Wei Lu , Guo Xin 
Published: March 2021

AbstractSolid polymer electrolytes with relatively low ionic conductivity at room temperature and poor mechanical strength greatly restrict their practical applications. Herein, we design semi‐interpenetrating network polymer (SNP) electrolyte composed of an ultraviolet‐crosslinked polymer network (ethoxylated trimethylolpropane triacrylate), linear polymer chains (polyvinylidene fluoride‐co‐hexafluoropropylene) and lithium salt solution to satisfy the demand of high ionic conductivity, good mechanical flexibility, and electrochemical stability for lithium metal batteries. The semi‐interpenetrating network has a pivotal effect in improving chain relaxation, facilitating the local segmental motion of polymer chains and reducing the polymer crystallinity. Thanks to these advantages, the SNP electrolyte shows a high ionic conductivity (1.12 mS cm−1 at 30 °C), wide electrochemical stability window (4.6 V vs. Li+/Li), good bendability and shape versatility. The promoted ion transport combined with suppressed impedance growth during cycling contribute to good cell performance. The assembled quasi‐solid‐state lithium metal batteries (LiFePO4/SNP/Li) exhibit good cycling stability and rate capability at room temperature.
Benzenedisulfonic Acid as an ALD/MLD Building Block for Crystalline Metal‐Organic Thin Films**
Authors: Heiska Juho , Sorsa Olli , Kallio Tanja , Karppinen Maarit 
Published: March 2021

AbstractTwo new atomic/molecular layer deposition processes for depositing crystalline metal‐organic thin films, built from 1,4‐benzenedisulfonate (BDS) as the organic linker and Cu or Li as the metal node, are reported. The processes yield in‐situ crystalline but hydrated Cu‐BDS and Li‐BDS films; in the former case, the crystal structure is of a previously known metal‐organic‐framework‐like structure, while in the latter case not known from previous studies. Both hydrated materials can be readily dried to obtain the crystalline unhydrated phases. The stability and the ionic conductivity of the unhydrated Li‐BDS films were characterized to assess their applicability as a thin film solid polymer Li‐ion conductor.
d/f‐Polypnictides Derived by Non‐Classical Ln2+ Compounds: Synthesis, Small Molecule Activation and Optical Properties
Authors: Reinfandt Niklas , Michenfelder Nadine , Schoo Christoph , Yadav Ravi , Reichl Stephan , Konchenko Sergey N. , Unterreiner Andreas N. , Scheer Manfred , Roesky Peter W. 
Published: March 2021

AbstractReduction chemistry induced by divalent lanthanides has been primarily focused on samarium so far. In light of the rich physical properties of the lanthanides, this limitation to one element is a drawback. Since molecular divalent compounds of almost all lanthanides have been available for some time, we used one known and two new non‐classical reducing agents of the early lanthanides to establish a sophisticated reduction chemistry. As a result, six new d/f‐polyphosphides or d/f‐polyarsenides, [K(18‐crown‐6)] [Cp′′2Ln(E5)FeCp*] (Ln=La, Ce, Nd; E=P, As) were obtained. Their reactivity was studied by activation of P4, resulting in a selective expansion of the P5 rings. The obtained compounds [K(18‐crown‐6)] [Cp′′2Ln(P7)FeCp*] (Ln=La, Nd) are the first examples of an activation of P4 by a f‐element‐polypnictide complex. Additionally, the first systematic femtosecond (fs)‐spectroscopy investigations of d/f‐polypnictides are presented to showcase the advantages of having access to a broader series of lanthanide compounds.
Intersystem Crossing and Electron Spin Selectivity in Anthracene‐Naphthalimide Compact Electron Donor‐Acceptor Dyads Showing Different Geometry and Electronic Coupling Magnitudes
Authors: Chen Kepeng , Kurganskii Ivan V. , Zhang Xue , Elmali Ayhan , Zhao Jianzhang , Karatay Ahmet , Fedin Matvey V. 
Published: March 2021

AbstractAnthracene‐naphthalimide (An‐NI) compact electron donor‐acceptor dyads were prepared, in which the orientation and distance between the two subunits were varied by direct connection or with intervening phenyl linker. Efficient intersystem crossing (ISC) and long triplet state lifetime (ΦΔ=92 %, τT=438 μs) were observed for the directly connected dyads showing a perpendicular geometry (81°). This efficient spin‐orbit charge transfer ISC (SOCT‐ISC) takes 376 fs, inhibits the direct charge recombination (CR) to ground state (1CT→S0, takes 3.04 ns). Interestingly, efficient SOCT‐ISC for dyads with intervening phenyl linker (ΦΔ=40 % in DCM) was also observed, although the electron donor and acceptor adopt almost coplanar geometry (dihedral angle: 15°). Time‐resolved electron paramagnetic resonance (TREPR) spectroscopy shows that the electron spin polarization of the triplet state, i. e. the electron spin selectivity of ISC, is highly dependent on the dihedral angle and the linker. For the dyads showing weaker coupling between the donor and acceptors, the charge separation and the intramolecular triplet energy transfer are inhibited at 80 K (frozen solution), because both the 3An and 3NI states were observed and the ESP are same as compared to the native anthracene and naphthalimide, which unravel their origin. The dyads were used as triplet photosensitizers for triplet−triplet annihilation upconversion (TTA UC). High UC quantum yield (ΦUC=12.9 %) as well as a large anti‐Stokes shift (0.72 eV) was attained by excitation into the CT absorption band.
Cationic Aluminium Complexes as Catalysts for Imine Hydrogenation
Authors: Friedrich Alexander , Eyselein Jonathan , Elsen Holger , Langer Jens , Pahl Jürgen , Wiesinger Michael , Harder Sjoerd 
Published: March 2021

AbstractStrongly Lewis acidic cationic aluminium complexes, stabilized by β–diketiminate (BDI) ligands and free of Lewis bases, have been prepared as their B(C6F5)4− salts and were investigated for catalytic activity in imine hydrogenation. The backbone (R1) and N (R2) substituents on the R1,R2BDI ligand (R1,R2BDI=HC[C(R1)N(R2)]2) influence sterics and Lewis acidity. Ligand bulk increases along the row Me,DIPPBDI<Me,DIPePBDI≈tBu,DIPPBDI<tBu,DIPePBDI; DIPP=2,6‐C(H)Me2‐phenyl, DIPeP=2,6‐C(H)Et2‐phenyl. The Gutmann‐Beckett test showed acceptor numbers of: (tBu,DIPPBDI)AlMe+ 85.6, (tBu,DIPePBDI)AlMe+ 85.9, (Me,DIPPBDI)AlMe+ 89.7, (Me,DIPePBDI)AlMe+ 90.8, (Me,DIPPBDI)AlH+ 95.3. Steric and electronic factors need to be balanced for catalytic activity in imine hydrogenation. Open, highly Lewis acidic, cations strongly coordinate imine rendering it inactive as a Frustrated Lewis Pair (FLP). The bulkiest cations do not coordinate imine but its combination is also not an active catalyst. The cation (tBu,DIPPBDI)AlMe+ shows the best catalytic activity for various imines and is also an active catalyst for the Tishchenko reaction of benzaldehyde to benzylbenzoate. DFT calculations on the mechanism of imine hydrogenation catalysed by cationic Al complexes reveal two interconnected catalytic cycles operating in concert. Hydrogen is activated either by FLP reactivity of an Al⋅⋅⋅imine couple or, after formation of significant quantities of amine, by reaction with an Al⋅⋅⋅amine couple. The latter autocatalytic Al⋅⋅⋅amine cycle is energetically favoured.