bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐Efficiency Circularly Polarized Electroluminescence from TADF‐Sensitized Fluorescent Enantiomers
Authors: Li Meng , Wang Mei‐Ying , Wang Yin‐Feng , Feng Liheng , Chen Chuan‐Feng 
Published: July 2021

AbstractA couple of fluorescent enantiomers, which are suitable for the emitters of high‐efficiency TADF‐sensitized CP‐OLEDs, have been developed. The enantiomers show configurational stability, high PLQY of 98 %, large kr of 7.8×107 s−1, and intense CPL activities with |glum| values of about 2.5×10−3. Notably, by using matchable TADF sensitizer, the enantiomers were then exploited as emitter to fabricate CP‐OLEDs. The TADF‐sensitized CP‐OLEDs not only show mirror‐image CPEL activities with gEL values of +1.8×10−3 and −1.4×10−3, but also display fast start‐up featuring with low VT of 3.0 V as well as driving voltage of 4.8 V at 10 000 cd m−2. Meaningfully, the TADF‐sensitized fluorescent devices show high EQEmax of 21.5 % and extremely low efficiency roll‐off, whose EQEs are 21.2 % and 15.3 % at 1000 and 10 000 cd m−2, respectively. The obtained EQEs are comparable to those of CP‐TADF emitters, which provides a promising perspective to break through the EL efficiency limit of CP‐FL emitters.
Ligand‐Protected Au55 with a Novel Structure and Remarkable CO2 Electroreduction Performance
Authors: Wan Xian‐Kai , Wang Jia‐Qi , Wang Quan‐Ming 
Published: July 2021

AbstractA Au55 nanocluster with the composition of [Au55(p‐MBT)24(Ph3P)6](SbF6)3 (p‐MBT=4‐methylbenzenethiolate) is synthesized via direct reduction of gold‐phosphine and gold‐thiolate precursors. Single‐crystal X‐ray diffraction reveals that this Au55 nanocluster features a face‐centered cubic (fcc) Au55 kernel, different from the well‐known two‐shell cuboctahedral arrangement in Au55(Ph3P)12Cl6. The Au55 cluster shows a wide optical absorption band with optical energy gap (Eg=1.28 eV). It is found that the exclusion of chloride is crucial for the formation of the title cluster, otherwise rod‐like [Au25(SR)5(PPh3)10Cl2]2+ is obtained. The strategy to run synthetic reaction in the absence of halide leads to new members of phosphine/thiolate co‐protected metal nanoclusters. The Au55 nanocluster exhibits high catalytic activity and selectivity for electrochemical reduction of CO2 to CO; the Faradaic efficiency (FE) reaches 94.1 % at −0.6 V vs. reversible hydrogen electrode (RHE).
Isomerization of a cis‐(2‐Borylalkenyl)Gold Complex via a Retro‐1,2‐Metalate Shift: Cleavage of a C−C/C−Si Bond trans to a C−Au Bond
Authors: Suzuki Akane , Wu Linlin , Lin Zhenyang , Yamashita Makoto 
Published: July 2021

AbstractThis manuscript describes the first example of an alkyne insertion to the Au−B bond of a di(o‐tolyl)borylgold complex to afford a cis‐2‐borylalkenylgold complex, and its isomerization to result in interchanging substituents on the alkenyl carbon atom and the boron atom. The former reaction is the first example of an alkyne insertion to a Au−B bond. In the latter reaction, the regiochemistry of the isomerized alkenylgold products varied depending on the substituents. DFT calculations revealed the formation of gold alkynylborates as a common intermediate via a “retro‐1,2‐metalate shift”, which can be considered as an anti‐β‐carbon/silicon elimination, and identified a subsequent 1,2‐metalate shift as the regiochemistry‐determining step. Relative energies of the transition states to each isomer and natural‐bond‐orbital (NBO) analyses were used to clearly rationalize the regiochemistry of the products.
Spatial Matching Selectivity and Solution Structure of Organic–Metal Hybrid to Quadruplex–Duplex Hybrid
Authors: Liu Liu‐Yi , Wang Kang‐Nan , Liu Wenting , Zeng You‐Liang , Hou Ming‐Xuan , Yang Jing , Mao Zong‐Wan 
Published: July 2021

AbstractThe sequence‐dependent DNA secondary structures possess structure polymorphism. To date, studies on regulated ligands mainly focus on individual DNA secondary topologies, while lack focus on quadruplex–duplex hybrids (QDHs). Here, we design an organic–metal hybrid ligand L1Pt(dien), which matches and selectively binds one type of QDHs with lateral duplex stem‐loop (QLDH) with high affinity, while shows poor affinity for other QDHs and individual G4 or duplex DNA. The solution structure of QLDH MYT1L‐L1Pt(dien) complex was determined by NMR. The structure reveals that L1Pt(dien) presents a chair‐type conformation, whose large aromatic “chair surface” intercalates into the G‐quadruplex‐duplex interface via π–π stacking and “backrest” platinum unit interacts with duplex region through hydrogen bonding and electrostatic interactions, showing a highly matched lock‐key binding mode. Our work provided guidance for spatial matching design of selectively targeting ligands to QDH structures.
Single‐Phase Covalent Organic Framework Staggered Stacking Nanosheet Membrane for CO2‐Selective Separation
Authors: Wang Pengyuan , Peng Yuan , Zhu Chenyu , Yao Rui , Song Hongling , Kun Lun , Yang Weishen 
Published: July 2021

AbstractTwo‐dimensional covalent organic frameworks (2D COFs) are considered as potential candidates for gas separation membranes, benefiting from permanent porosity, light‐weight skeletons, excellent stability and facilely‐tailored functionalities. However, their pore sizes are generally larger than the kinetic diameters of common gas molecules. One great challenge is the fabrication of single‐phase COF membranes to realize precise gas separations. Herein, three kinds of high‐quality β‐ketoenamine‐type COF nanosheets with different pore sizes were developed and aggregated to ultrathin nanosheet membranes with distinctive staggered stacking patterns. The narrowed pore sizes derived from the micro‐structures and selective adsorption capacities synergistically endowed the COF membranes with intriguing CO2‐philic separation performances, among which TpPa‐2 with medium pore size exhibited an optimal CO2/H2 separation factor of 22 and a CO2 permeance of 328 gas permeation units at 298 K. This membrane performance reached the target with commercial feasibility for syngas separations.
Crystal‐Size‐Induced Band Gap Tuning in Perovskite Films
Authors: Ummadisingu Amita , Meloni Simone , Mattoni Alessandro , Tress Wolfgang , Grätzel Michael 
Published: July 2021

AbstractA comprehensive picture explaining the effect of the crystal size in metal halide perovskite films on their opto‐electronic characteristics is currently lacking. We report that perovskite nanocrystallites exhibit a wider band gap due to concurrent quantum confinement and size dependent structural effects, with the latter being remarkably distinct and attributed to the perturbation from the surface of the nanocrystallites affecting the structure of their core. This phenomenon might assist in the photo‐induced charge separation within the perovskite in devices employing mesoporous layers as they restrict the size of nanocrystallites present in them. We demonstrate that the crystal size effect is widely applicable as it is ubiquitous in different compositions and deposition methods employed in the fabrication of state‐of‐the‐art perovskite solar cells. This effect is a convenient and effective way to tune the band gap of perovskites.
Radical Stabilization of a Tripyridinium–Triazine Molecule Enables Reversible Storage of Multiple Electrons
Authors: Huang Jinghua , Hu Shuzhi , Yuan Xianzhi , Xiang Zhipeng , Huang Mingbao , Wan Kai , Piao Jinhua , Fu Zhiyong , Liang Zhenxing 
Published: July 2021

AbstractA novel organic molecule, 2,4,6‐tris[1‐(trimethylamonium)propyl‐4‐pyridiniumyl]‐1,3,5‐triazine hexachloride, was developed as a reversible six‐electron storage electrolyte for use in an aqueous redox flow battery (ARFB). Physicochemical characterization reveals that the molecule evolves from a radical to a biradical and finally to a quinoid structure upon accepting four electrons. Both the diffusion coefficient and the rate constant were sufficiently high to run a flow battery with low concentration and kinetics polarization losses. In a demonstration unit, the assembled flow battery affords a high specific capacity of 33.0 Ah L−1 and a peak power density of 273 mW cm−2. This work highlights the rational design of electroactive organics that can manipulate multi‐electron transfer in a reversible way, which will pave the way to development of energy‐dense, manageable and low‐cost ARFBs.
Comparative serum microRNA array analysis of the spleen‐stomach dampness‐heat syndrome in different diseases: Chronic hepatitis B and chronic gastritis
Authors: Li Baixue , Su Yue , Xiang Ne , Qin Bing , Li Guiyu , Wan Tingjun , Liu Xiyang , Wang Dong , Jiang Cen , Wen Li , Feng Quan‐Sheng 
Published: July 2021

AbstractSpleen‐stomach dampness‐heat syndrome (SSDHS) is the common Traditional Chinese Medicine (TCM) syndrome observed in both chronic hepatitis B (CHB) and chronic gastritis (CG). The specialized TCM prescription for CHB and CG patients with SSDHS is same, but there is limited information about the biological characteristics of this TCM syndrome. This study aimed to identify the serum miRNAs profile for the SSDHS in two different diseases in order to evaluate the miRNA‐mediated biological characteristics of this TCM syndrome. We performed comparative microarray analysis of serum miRNA expression profiles in 10 CHB patients with SSDHS (SSDHS‐CHB), 10 CG patients with SSDHS (SSDHS‐CG), and 10 healthy controls (HC). The selected miRNAs were further validated by qRT‐PCR in 13 SSDHS‐CHB patients, 13 SSDHS‐CG patients, and 13 HC. Moreover, bioinformatics analysis (GO and KEGG pathway enrichment analyses) was applied to identify the involved target genes and pathways for these selected miRNAs. Nine significantly differentially expressed (SDE)‐miRNAs in the SSDHS‐CHB group and 24 SDE‐miRNAs in the SSDHS‐CG group were identified, compared with the HC group (fold change >2.0 and p < .05). Among these, upregulated hsa‐miR‐483‐3p and downregulated hsa‐miR‐223‐3p were identified as the common SDE‐miRNAs for both SSDHS‐CHB and SSDHS‐CG groups. Bioinformatics analysis of the common SDE‐miRNA's target genes showed their involvement in the regulation of inflammation, immune response, and tumorigenesis. SSDHS‐specific hsa‐miR‐483‐3p and hsa‐miR‐223‐3p identified in this study indicated a relevance to the underlying biological basis of SSDHS, and may provide scientific basis for the application of same TCM prescription in CHB and CG.
Mehrdimensionale hochzyklische Beanspruchungen im Experiment und im Finite‐Elemente‐Modell
Authors: Knittel Lukas , Triantafyllidis Theodoros 
Published: July 2021

AbstractDas Verhalten granularer Böden unter mehrdimensionaler zyklischer Beanspruchung ist für viele baupraktische Fragestellungen von großer Bedeutung. Beispielsweise können bei Offshore‐Windenergieanlagen (OWEA) Wind‐ und Wellenbelastungen aus unterschiedlichen Richtungen sowie mit einem zeitlichen Versatz auf die geotechnische Struktur einwirken, woraus eine mehrdimensionale zyklische Beanspruchung resultiert. Es ist bekannt, dass eine mehrdimensionale zyklische Beanspruchung zu einer größeren Akkumulation der Verformung im Boden führt als eine eindimensionale Beanspruchung gleicher Amplitude. Werden die akkumulierten Verformungen zu groß, kann dies zu einem unvorhergesehenen Verlust der Gebrauchstauglichkeit führen. Die numerische Erfassung des mehrdimensionalen Problems und die Prognose der zu erwartenden Verformungen sind daher in solchen Fällen unerlässlich. Gegenstand dieses Aufsatzes ist eine Untersuchung des Bodenverhaltens unter mehrdimensionaler zyklischer Beanspruchung. In über 120 zyklischen Triaxial‐ und Hohlzylindertriaxialversuchen wird das Bodenverhalten unter ein‐ bis vierdimensionaler Beanspruchung intensiv untersucht. Erstmals kann dabei die mathematische Formulierung der mehrdimensionalen Dehnungsamplitude im hochzyklischen Akkumulationsmodell (HCA‐Modell) nach Niemunis et al. für ein‐ bis vierdimensionale Beanspruchungen versuchstechnisch überprüft werden. Das HCA‐Modell mit der validierten Definition der Dehnungsamplitude wird anschließend in exemplarischen numerischen Berechnungen einer OWEA‐Monopilegründung unter einer durch Wind‐ und Wellenbelastung hervorgerufenen mehrdimensionalen Beanspruchung studiert. Auf diese Weise werden die Anwendbarkeit und der Mehrwert der Definition der mehrdimensionalen Dehnungsamplitude im HCA‐Modell für baupraktische Zwecke verdeutlicht.
The role of non‐coding RNAs in drug resistance of oral squamous cell carcinoma and therapeutic potential
Authors: Meng Xiang , Lou Qiu‐Yue , Yang Wen‐Ying , Wang Yue‐Rong , Chen Ran , Wang Lu , Xu Tao , Zhang Lei 
Published: July 2021

AbstractOral squamous cell carcinoma (OSCC), the eighth most prevalent cancer in the world, arises from the interaction of multiple factors including tobacco, alcohol consumption, and betel quid. Chemotherapeutic agents such as cisplatin, 5‐fluorouracil, and paclitaxel have now become the first‐line options for OSCC patients. Nevertheless, most OSCC patients eventually acquire drug resistance, leading to poor prognosis. With the discovery and identification of non‐coding RNAs (ncRNAs), the functions of dysregulated ncRNAs in OSCC development and drug resistance are gradually being widely recognized. The mechanisms of drug resistance of OSCC are intricate and involve drug efflux, epithelial‐mesenchymal transition, DNA damage repair, and autophagy. At present, strategies to explore the reversal of drug resistance of OSCC need to be urgently developed. Nano‐delivery and self‐cellular drug delivery platforms are considered as effective strategies to overcome drug resistance due to their tumor targeting, controlled release, and consistent pharmacokinetic profiles. In particular, the combined application of new technologies (including CRISPR systems) opened up new horizons for the treatment of drug resistance of OSCC. Hence, this review explored emerging regulatory functions of ncRNAs in drug resistance of OSCC, elucidated multiple ncRNA‐meditated mechanisms of drug resistance of OSCC, and discussed the potential value of drug delivery platforms using nanoparticles and self‐cells as carriers in drug resistance of OSCC.
Biochemical Characterization, Phytotoxic Effect and Antimicrobial Activity against Some Phytopathogens of New Gemifloxacin Schiff Base Metal Complexes
Authors: Mohamed Amira A. , Elshafie Hazem S. , Sadeek Sadeek A. , Camele Ippolito 
Published: July 2021

AbstractString of Fe(III), Cu(II), Zn(II) and Zr(IV) complexes were synthesized with tetradentateamino Schiff base ligand derived by condensation of ethylene diamine with gemifloxacin. The novel Schiff base (4E,4′E)‐4,4′‐(ethane‐1,2‐diyldiazanylylidene)bis{7‐[(4Z)‐3‐(aminomethyl)‐4‐(methoxyimino)pyrrolidin‐1‐yl]‐1‐cyclopropyl‐6‐fluoro‐1,4‐dihydro‐1,8‐naphthyridine‐3‐carboxylic acid} (GMFX‐en) and its metal complexes were identified and confirmed by elemental analyses, FT‐IR, UV/VIS,1H‐NMR spectra, magnetic susceptibility, conductometric measurements and thermal analyses. The FT‐IR spectral data showed the chelation behavior of GMFX‐en toward the metal ions through oxygen of carboxylate group and nitrogen of azomethine group. In the light of all spectral data, these complexes presumably have octahedral geometry configurations. Thermal analysis specified that the decaying of the metal complexes exist in two or three steps with the final residue metal oxides. Antimicrobial activity of the new prepared metal complexes was screened against some common phytopathogens and their mode of action has been also discussed. The potential phytotoxic effectiveness of the new complexes was furthermore inspected on two commonly experimental plants. The complexes showed significant antimicrobial and phytotoxic effects against the majority of tested phytopathogens and the two tested plants, respectively. The potential antimicrobial activity of the complexes proved their possibility to be used successfully in agropharmacutical industry to control many serious phytopathogens. The phytotoxicity of the studied complexes also indicated their possibility as potential bio‐based herbicides alternatives to weed control in crop fields.
Upregulation of OGT by Caveolin‐1 promotes hepatocellular carcinoma cell migration and invasion
Authors: Wang Lingyan , Feng Yuan , Zhang Cheng , Chen Xixi , Huang Huang , Li Wenli , Zhang Jianing , Liu Yubo 
Published: July 2021

AbstractCaveolin‐1 (CAV1), a major structural protein of caveolae, is reported to exert a positive regulatory effect on tumor growth and to play a crucial role in hepatocellular carcinoma (HCC) cell metastasis by regulating glycosyltransferase expression and cellular glycosylation. However, the role of CAV1 in modulating protein glycosylation and tumor metastasis remains to be further elucidated. In the present study, we showed that CAV1 promoted the expression of O‐GlcNAc transferase (OGT), which catalyzed the addition of O‐GlcNAc residues to a variety of nuclear and cytoplasmic proteins. In human HCC cell lines with different metastatic potentials, high levels of OGT and cellular O‐GlcNAcylation were associated with CAV1 expression and cell metastasis. Overexpression of CAV1 increased the levels of OGT and O‐GlcNAcylation, and cell migration was also increased. Furthermore, CAV1 was found to reduce the expression of Runt‑related transcription factor 2 (RUNX2) in HCC cells. Subsequently, this effect resulted in the attenuation of the RUNX2‐induced transcription of microRNA24 (miR24), a microRNA previously shown to suppress OGT mRNA expression by targeting its 3′ untranslated regions (UTR). Finally, we demonstrated that CAV1 induced cellular O‐GlcNAcylation and HCC cell invasion. This study provides evidence of CAV1‐mediated increases in OGT expression and O‐GlcNAcylation. These data provide insight into a novel mechanism underlying HCC metastasis and suggest a novel strategy for the treatment of HCC.
Progress and Perspectives on Covalent‐Organic Frameworks (COFs) and Composites for Various Energy Applications
Authors: Kumar Ravinder , Naz Ansari Shagufi , Deka Rakesh , Kumar Praveen , Saraf Mohit , Mobin Shaikh M. 
Published: July 2021

AbstractCovalent‐organic frameworks (COFs), being a new member of the crystalline porous materials family, have emerged as important materials for energy storage/conversion/generation devices. They possess high surface areas, ordered micro/mesopores, designable structures and an ability to precisely control electro‐active groups in their pores, which broaden their application window. Thanks to their low weight density, long range crystallinity, reticular nature and tunable synthesis approach towards two and three dimensional (2D and 3D) networks, they have been found suitable for a range of challenging electrochemical applications. Our review focuses on the progress made on the design, synthesis and structure of COFs and their composites for various energy applications, such as metal‐ion batteries, supercapacitors, water‐splitting and solar cells. Additionally, attempts have been made to correlate the structural and mechanistic characteristics of COFs with their applications.
Azo‐Functionalized Zirconium‐Based Metal−Organic Polyhedron as an Efficient Catalyst for CO2 Fixation with Epoxides
Authors: Tang Jia , Wei Fen , Ding Shujiang , Wang Xiaoxia , Xie Guanqun , Fan Hongbo 
Published: July 2021

AbstractChemical fixation of CO2 as C1 source at ambient temperature and low pressure is an energy‐saving way to make use of the green‐house gas, but it still remains a challenge since efficient catalyst with high catalytic active sites is required. Here, a novel monoclinic azo‐functionalized Zr‐based metal−organic polyhedron (Zr‐AZDA) has been prepared and applied in CO2 fixation with epoxides. The inherent azo groups not only endow Zr‐AZDA with good solubilization, but also act as basic sites to enrich CO2 showing efficient synergistic catalysis as confirmed by TPD‐CO2 analysis. XPS results demonstrate that the Zr active sites in Zr‐AZDA possess suitable Lewis acidity, which satisfies both substrates activation and products desorption. DFT calculation indicates the energy barrier of the rate‐determining step in CO2 cycloaddition could be reduced remarkably (by ca. 60.9 %) in the presence of Zr‐AZDA, which may rationalize the mild and efficient reaction condition employed (80 °C and 1 atm of CO2). The work provides an effective multi‐functional cooperative method for improvement of CO2 cycloaddition.
Beiwerte zur Berechnung maximal zulässiger Einzellasten an Stutzen in zylindrischen Behälterschalen und deren Vergleich mit DIN EN 13445‐3
Authors: Benitz Klaus 
Published: July 2021

AbstractDie Ergebnisse einer Parameterstudie werden vorgestellt, in der die Beanspruchungen im Verschneidungsbereich von Stutzen mit der Behälterschale infolge von Axialkraft und Momenten in Längs‐ und Umfangsrichtung mit der Finite‐Elemente‐Methode (FEM) berechnet wurden. Durch den untersuchten Betrachtungsumfang wird ein weiter Bereich der in der Praxis vorkommenden Anwendungsfälle abgedeckt. Die Ergebnisse werden in Form von Spannungsbeiwerten dargestellt, die direkt vergleichbar sind mit den entsprechenden Berechnungsbeiwerten C1, C2 und C3 nach DIN EN 13445‐3. Die Spannungsbeiwerte aus FEM‐Berechnungen sind, bis auf Stutzen geringer Wanddicke, größer als die Werte nach den Kurven der DIN‐Norm. Die Unterschiede zwischen den Spannungsbeiwerten werden auf die vereinfachenden Annahmen zur analytischen Berechnung der dimensionslosen Schnittlasten zurückgeführt, die den Spannungsbeiwerten der DIN EN 13445‐3 zugrunde liegen.
25CN‐NBOH: A Selective Agonist for in vitro and in vivo Investigations of the Serotonin 2A Receptor
Authors: Märcher Rørsted Emil , Jensen Anders A. , Kristensen Jesper L. 
Published: July 2021

Abstract4‐(2‐((2‐hydroxybenzyl)amino)ethyl)‐2,5‐dimethoxybenzonitrile (25CN‐NBOH) was first reported as a potent and selective serotonin 2A receptor (5‐HT2AR) agonist in 2014, and it has since found extensive use as a pharmacological tool in a variety of in vitro, ex vivo and in vivo studies. 25CN‐NBOH is readily available from a synthetic perspective using standard chemical transformations, and displays favorable physiochemical properties in terms of stability and solubility. Due to its superior selectivity for 5‐HT2AR, 25CN‐NBOH has been used to investigate the effects of selective 5‐HT2AR activation in vivo, and has thus become an important pharmacological tool for the exploration of 5‐HT2AR signaling in a range of animal models. In the present review, we outline the discovery of 25CN‐NBOH, its pharmacological profile and major findings from studies where it has been used.