bluuebunny/crossref_metadata_2025_split huggingface dataset:
Isolierung und Charakterisierung der homoleptischen NiI und NiII Bis(Benzol)‐Sandwich Kationen
Authors: Schmitt Manuel , Mayländer Maximilian , Heizmann Tim , Richert Sabine , Bülow Christine , Hirsch Konstantin , Zamudio‐Bayer Vicente , Lau J. Tobias , Krossing Ingo 
Published: October 2022

AbstractEin stabiles Salz des in der kondensierten Phase bisher unbekannten Metalloradikals [Ni(C6H6)2]+ wurde aus [Ni(CO)4]+[WCA]− und Benzol synthetisiert ([WCA]−=[F{Al(ORF)3}2]−; RF=C(CF3)3). Die Kristallstruktur zeigt eine bemerkenswerte asymmetrische η3,η6‐Sandwich‐Struktur. Die magnetischen Eigenschaften des [Ni(C6H6)2]+‐Kations wurden in Lösung und in der Gasphase untersucht. Die Oxidation mit dem synergistischen Ag+/0.5 l2‐System führte zu dem Salz [Ni(C6H6)2]2+([WCA]−)2. Alle Produkte wurden mittels IR, Raman, NMR/EPR, Einkristall‐ und Pulver‐XRD vollständig charakterisiert.
Controlling Intermolecular Interaction and Interphase Chemistry Enabled Sustainable Water‐tolerance LiMn2O4||Li4Ti5O12 Batteries
Authors: Li Qin , Yang Chongyin , Zhang Jiaxun , Ji Xiao , Xu Jijian , He Xinzi , Chen Long , Hou Singyuk , Uddin Jasim , Addison Dan , Sun Dalin , Wang Chunsheng , Wang Fei 
Published: October 2022

AbstractSolid electrolyte interphase (SEI) formation and H2O activity reduction in Water‐in‐Salt electrolytes (WiSE) with an enlarged stability window of 3.0 V have provided the feasibility of the high‐energy‐density aqueous Li‐ion batteries. Here, we extend the cathodic potential of WiSE by rationally controlling intermolecular interaction and interphase chemistry with the introduction of trimethyl phosphate (TMP) into WiSE. The TMP not merely limits the H2O activity via the strong interaction between TMP and H2O but also contributes to the formation of reinforced SEI involving phosphate and LiF by manipulating the Li+ solvation structure. Thus, water‐tolerance LiMn2O4 (LMO)||Li4Ti5O12 (LTO) full cell with a P/N ratio of 1.14 can be assembled and achieve a long cycling life of 1000 times with high coulombic efficiency of >99.9 %. This work provides a promising insight into the cost‐effective practical manufacture of LMO||LTO cells without rigorous moisture‐free requirements.
Genome Mining Enabled by Biosynthetic Characterization Uncovers a Class of Benzoxazolinate‐Containing Natural Products in Diverse Bacteria
Authors: Shi Yi‐Ming , Crames Jan J. , Czech Laura , Bozhüyük Kenan A. J. , Shi Yan‐Ni , Hirschmann Merle , Lamberth Stefanie , Claus Peter , Paczia Nicole , Rückert Christian , Kalinowski Jörn , Bange Gert , Bode Helge B. 
Published: October 2022

AbstractBenzoxazolinate is a rare bis‐heterocyclic moiety that interacts with proteins and DNA and confers extraordinary bioactivities on natural products, such as C‐1027. However, the biosynthetic gene responsible for the key cyclization step of benzoxazolinate remains unclear. Herein, we show a putative acyl AMP‐ligase responsible for the last cyclization step. We used the enzyme as a probe for genome mining and discovered that the orphan benzobactin gene cluster in entomopathogenic bacteria prevails across Proteobacteria and Firmicutes. It turns out that Pseudomonas chlororaphis produces various benzobactins, whose biosynthesis is highlighted by a synergistic effect of two unclustered genes encoding enzymes on boosting benzobactin production; the formation of non‐proteinogenic 2‐hydroxymethylserine by a serine hydroxymethyltransferase; and the types I and II NRPS architecture for structural diversity. Our findings reveal the biosynthetic potential of a widespread benzobactin gene cluster.
Structure Elucidation, Total Synthesis, Antibacterial In Vivo Efficacy and Biosynthesis Proposal of Myxobacterial Corramycin**
Authors: Couturier Cédric , Groß Sebastian , von Tesmar Alexander , Hoffmann Judith , Deckarm Selina , Fievet Anouchka , Dubarry Nelly , Taillier Thomas , Pöverlein Christoph , Stump Heike , Kurz Michael , Toti Luigi , Haag Richter Sabine , Schummer Dietmar , Sizun Philippe , Hoffmann Michael , Prasad Awal Ram , Zaburannyi Nestor , Harmrolfs Kirsten , Wink Joachim , Lessoud Emilie , Vermat Thierry , Cazals Veronique , Silve Sandra , Bauer Armin , Mourez Michael , Fraisse Laurent , Leroi‐Geissler Corinne , Rey Astrid , Versluys Stéphanie , Bacqué Eric , Müller Rolf , Renard Stephane 
Published: October 2022

AbstractHerein, we describe the myxobacterial natural product Corramycin isolated from Corallococcus coralloides. The linear peptide structure contains an unprecedented (2R,3S)‐γ‐N‐methyl‐β‐hydroxy‐histidine moiety. Corramycin exhibits anti‐Gram‐negative activity against Escherichia coli (E. coli) and is taken up via two transporter systems, SbmA and YejABEF. Furthermore, the Corramycin biosynthetic gene cluster (BGC) was identified and a biosynthesis model was proposed involving a 12‐modular non‐ribosomal peptide synthetase/polyketide synthase. Bioinformatic analysis of the BGC combined with the development of a total synthesis route allowed for the elucidation of the molecule's absolute configuration. Importantly, intravenous administration of 20 mg kg−1 of Corramycin in an E. coli mouse infection model resulted in 100 % survival of animals without toxic side effects. Corramycin is thus a promising starting point to develop a potent antibacterial drug against hospital‐acquired infections.
Isolation and Characterization of the Homoleptic Nickel(I) and Nickel(II) Bis‐benzene Sandwich Cations
Authors: Schmitt Manuel , Mayländer Maximilian , Heizmann Tim , Richert Sabine , Bülow Christine , Hirsch Konstantin , Zamudio‐Bayer Vicente , Lau J. Tobias , Krossing Ingo 
Published: October 2022

AbstractA stable salt of the metalloradical [Ni(C6H6)2]+ hitherto unknown in the condensed phase was synthesized from [Ni(CO)4]+[WCA]− and benzene ([WCA]−=[F{Al(ORF)3}2]−; RF=C(CF3)3). Single crystal XRD reveals a remarkable asymmetrically η3,η6‐slipped sandwich structure. The magnetic properties of the [Ni(C6H6)2]+ cation were determined in solution and in the gas phase. Oxidation with the synergistic Ag+/0.5 l2 system led to the salt [Ni(C6H6)2]2+([WCA]−)2. All products were fully characterized by means of IR, Raman, NMR/EPR, single crystal and powder XRD.
Dual Activation of Molecular Oxygen and Surface Lattice Oxygen in Single Atom Cu1/TiO2 Catalyst for CO Oxidation
Authors: Fang Yarong , Zhang Qi , Zhang Huan , Li Xiaomin , Chen Wei , Xu Jue , Shen Huan , Yang Ji , Pan Chuanqi , Zhu Yuhua , Wang Jinlong , Luo Zhu , Wang Liming , Bai Xuedong , Song Fei , Zhang Lizhi , Guo Yanbing 
Published: October 2022

AbstractThe in‐depth mechanism on the simultaneous activation of O2 and surface lattice O2− on one active metallic site has not been elucidated yet. Herein, we report a strategy for the construction of abundant oxygen activation sites by rational design of Cu1/TiO2 single atom catalysts (SACs). The charge transfer between isolated Cu and TiO2 support generates abundant CuI and 2‐coordinated Olat sites in Cu1−O−Ti hybridization structure, which facilitates the chemisorption and activation of O2 molecules. Simultaneously, the Cu1−O−Ti induced TiO2 lattice distortion activate the adjacent surface lattice O2−, achieving the dual activation of O2 and surface lattice O2−. The Cu1−O−Ti active site switches the CO oxidation mechanism from Eley‐Rideal (80 °C) to Mars–van Krevelen route (200 °C) with the increase of reaction temperature. The dual activation of O2 and surface lattice O2− can by modulating the electron properties of SACs can boost the heterogeneous catalytic oxidation activity.
Light‐Assisted Metal–Air Batteries: Progress, Challenges, and Perspectives
Authors: Li Jiaxin , Zhang Kun , Wang Bingjie , Peng Huisheng 
Published: October 2022

AbstractMetal–air batteries are considered one of the most promising next‐generation energy storage devices owing to their ultrahigh theoretical specific energy. However, sluggish cathode kinetics (O2and CO2reduction/evolution) result in large overpotentials and low round‐trip efficiencies which seriously hinder their practical applications. Utilizing light to drive slow cathode processes has increasingly becoming a promising solution to this issue. Considering the rapid development and emerging issues of this field, this Review summarizes the current understanding of light‐assisted metal–air batteries in terms of configurations and mechanisms, provides general design strategies and specific examples of photocathodes, systematically discusses the influence of light on batteries, and finally identifies existing gaps and future priorities for the development of practical light‐assisted metal–air batteries.
Natural rubber composites with antioxidant‐loaded activated calcium silicate for improved thermo‐oxidative aging resistance
Authors: Wang Weijiang , Zhang Yongfeng , Sun Junmin , Gong Yanbing , Zhang Yinmin 
Published: October 2022

AbstractGreen and low‐cost methods are required as alternatives to conventional approaches for impeding the thermo‐oxidative degradation of natural rubber (NR). Herein, to improve the dispersibility of N‐1,3‐dimethylbutyl‐N′‐phenyl‐p‐phenylenediamine (antioxidant 4020) and simplify the loading procedure, antioxidant 4020 was precipitated from acetone using activated calcium silicate (ACS), a byproduct of alumina extraction from fly ash, as a carrier. In the obtained antioxidant 4020‐loaded ACS (ACS‐4020) particles, which had a loading of 7.8%, the antioxidant was physisorbed on the surface of ACS with a uniform distribution. In composites with NR, ACS‐4020 was uniformly dispersed in the NR matrix via chemisorption. ACS‐4020/NR exhibited a faster vulcanization speed, better static mechanical properties, and greater thermal stability than the composite in which antioxidant 4020 was directly integrated (ACS/4020/NR). Changes in the tensile strength, elongation at break, hardness, and thermo‐oxidative aging degree of the composites at different aging times and temperatures showed that ACS‐4020/NR had enhanced resistance to thermo‐oxidative aging. Furthermore, the nitrogen‐containing compounds in ACS‐4020/NR were more stable and performed better against thermo‐oxidative aging. These findings can act as guidelines for the preparation of NR composites with superior thermo‐oxidative aging resistance.
Excellent toughness of rigid polyvinylchloride at low temperature improved by polycarbonate‐polydimethylsiloxane block copolymer
Authors: Wang Xiaofei , Jia Yu , Zhang Jun , Chen Hao 
Published: October 2022

AbstractRigid polyvinylchloride (PVC) is widely used in various fields, but its low impact strength at low temperature limits its deep application in some cold regions. This work utilizes polycarbonate‐polydimethylsiloxane block copolymer (PC‐b‐PDMS) to toughen PVC. PDMS segment has extremely low glass transition temperature (−126°C) and PC segment has a good compatibility with PVC, which proved by the Fourier transform infrared and dynamic mechanical thermal results. For verifying toughening effect of PC‐b‐PDMS, the impact behavior at 23°C, 0°C and −30°C of PVC/PC‐b‐PDMS blends is investigated. The impact strength of modified PVC increases from 2.09 to 95.00 kJ·m−2 at 23°C, and the significant brittle‐ductile transition occurs at 10 phr PC‐b‐PDMS. At −30°C, 25 phr PC‐b‐PDMS makes brittle‐ductile transition appear and impact strength increased by 17 times. According to impact‐fractured morphology, PDMS acts as stress concentrator in PVC/PC‐b‐PDMS and produces a lot of cavities, crazes, and shear bands to consume impact energy, exhibiting good toughening effect. Overall, the PC‐b‐PDMS with excellent toughening effect is a promising alternative to traditional toughening agents, showing great promising application prospects in low‐temperature toughening of the rigid PVC products.
Improvement of the dielectric properties of polyvinylidene fluoride/reduced graphene oxide composites via in‐situ ball milling assisted extensional flow field
Authors: Yin Xiaochun , Wei Kesai , Wei Weidong , He Guangjian , Feng Yanhong 
Published: October 2022

AbstractIn this work, a new melt blending method under the synergy of in‐situ ball milling (ISBM) and extensional flow field are reported. The corresponding equipment and processing mechanism of this new method are introduced in detail. The improvement in the dielectric properties of polyvinylidene fluoride (PVDF)/reduced graphene oxide (rGO)/hollow glass beads (HGBs) composites are experimentally investigated. Benefit from uniform dispersion and reduced shattered rate of HGBs, the effect of ISBM on the rGO is strengthened. The results of SEM, TEM, XRD, and Raman spectra show that HGBs promote the exfoliation and dispersion of rGO in PVDF matrix. The addition of HGBs not only increases the dielectric constant of the composites, but also reduces the dielectric loss. When the content of rGO is 3.5 wt%, the dielectric constant of PVDF/rGO/HGBs (PRH) composites reaches 132.7, which is 63.2% higher than that of PVDF/rGO (PR) composites without HGBs. Moreover, the dielectric loss ofPRHcomposites is 0.3, which is 23.3% lower than that ofPRcomposites. To sum up, the new processing method is a simple, green and efficient way to enhance the dielectric properties of PVDF/rGO composites by improving the exfoliation and dispersion of rGO in PVDF.
Comprehensive experimental investigations and theoretical predictions on the physical properties of natural rubber composites
Authors: Abhisha Vakkoottil Sivadasan , Sisanth Krishanagegham Sidharathan , Parameswaranpillai Jyotishkumar , Pulikkalparambil Harikrishnan , Siengchin Suchart , Thomas Sabu , Stephen Ranimol 
Published: October 2022

AbstractConducting elastomers are highly desirable in the present world because of their major applications in the electronic industry. Conductive carbon black (CCB) is a conventional reinforcing filler commonly used in elastomers to modify the mechanical as well as electrical properties. The present study focuses on the experimental and theoretical computation of filler reinforcement, dielectric, mechanical, dynamic mechanical, and surface morphology of natural rubber (NR)/CCB composites. Two step processing method is adopted to attain homogeneous dispersion of filler in the matrix: preparation of NR/CCB masterbatch through melt mixing using internal mixer followed by compounding in a two‐ roll mill. Improved DC conductivity in the order of 10−6was obtained at higher filler loading indicating the formation of a continuous conductive network in the matrix. Percolation threshold was computed using Power law equation and obtained a value of 0.154 vol%. Theoretical predictions of mechanical modulus and tensile strength were done using rule of mixtures, Einstein, Guth and Kerner models and Nicolais‐Narkis and Kuneri‐Geil models respectively. A remarkable change in tensile strength is observed for NR as a function of the weight percentage of CCB; it is increased to 26.3 ± 0.9 MPa at 20 phr CCB from 17.1 ± 0.9 MPa for NR.
Synthesis and characterization of novel Al(III)‐metallopolymer and its application as a non‐volatile resistive memristive material
Authors: Kumar Anil , Bawa Shubham , Bera Jayanta , Shankar Uday , Sahu Satyajit , Bandyopadhyay Anasuya 
Published: October 2022

AbstractIn this study, Al(III)‐metallopolymer is synthesized with our previously reported ligand to understand the difference in the interaction of the reported ligand with transition metal ions (Fe(II) and Cr(II) ions) and smaller cationic radius main group metal ion. Al(III)‐metallopolymer is thoroughly characterized by different analytical techniques to understand the structure–property relationship. Surface morphological analyses reveal the formation of long nano‐fiber strands on the respective substrates. This polymer has shown reversible redox behavior, which is ligand centric as no d‐orbitals are available on the central metal ion for the electron push‐pull mechanism. Al(III)‐metallopolymer is fluorescent active, and it is shown a reversible change in absorption spectrum on the application of the appropriate potential. This ligand‐based redox‐switching also generates a bistable state when a metal–insulator(thin film of polymer)‐metal sandwich device is probed in between ±1 V, and it is stable in the ambient condition to sustain several flip‐flop cycles without any degradation for 103 s as observed from the experimental data. This work enlightens a new metallopolymer with a low value of SET‐RESET voltage and a long retention time for the future memristive device, which can operate at very low voltage compared to conventional Si‐based memory chips.
Lost at starting line: Predicting maladaptation of university freshmen based on educational big data
Authors: Guo Teng , Bai Xiaomei , Zhen Shihao , Abid Shagufta , Xia Feng 
Published: October 2022

AbstractThe transition from secondary education to higher education could be challenging for most freshmen. For students who fail to adjust to university life smoothly, their status may worsen if the university cannot offer timely and proper guidance. Helping students adapt to university life is a long‐term goal for any academic institution. Therefore, understanding the nature of the maladaptation phenomenon and the early prediction of “at‐risk” students are crucial tasks that urgently need to be tackled effectively. This article aims to analyze the relevant factors that affect the maladaptation phenomenon and predict this phenomenon in advance. We develop a prediction framework (MAladaptive STudEnt pRediction, MASTER) for the early prediction of students with maladaptation. First, our framework uses the SMOTE (Synthetic Minority Oversampling Technique) algorithm to solve the data label imbalance issue. Moreover, a novel ensemble algorithm, priority forest, is proposed for outputting ranks instead of binary results, which enables us to perform proactive interventions in a prioritized manner where limited education resources are available. Experimental results on real‐world education datasets demonstrate that the MASTER framework outperforms other state‐of‐art methods.
Determination and tissue distribution comparisons of five xanthones after orally administering crude and processed gamboge
Authors: Pan Lingyun , Xu Min , Wang Nan , Jia Yiqun , Xiu Yanfeng 
Published: October 2022

AbstractCaged polyprenylated xanthones are the main active ingredients isolated from the resin of Garcinia hanburyi, which has been reported to exhibit potential anticancer and anti‐inflammatory activities. This study aimed to develop sensitive and specific ultra‐performance liquid chromatography coupled with the triple quadrupole mass spectrometry method for investigating the tissue distribution of five xanthones in rats: β‐morellic acid, isogambogenic acid, gambogenic acid, R‐gambogic acid and S‐gambogic acid. All tissue samples were prepared using the liquid–liquid extraction method and separated on a C8 column with a gradient system. Detection was performed on a triple quadrupole mass spectrometer in multiple‐reaction monitoring using positive ionization. The method established in this assay was successfully applied to the tissue distribution study of the five selected xanthones after orally administering crude and processed gamboge in rat tissues. The results indicated that these five xanthones were distributed to rat tissues rapidly and could be detected in all of the selected tissues after oral administration. After processing, the contents of R‐gambogic acid and S‐gambogic acid in the gastrointestinal tract were significantly reduced. The findings of this study might be helpful in further understanding the processing mechanism of gamboge and providing references for its reasonable clinical application.
Ventricular arrhythmias following transcatheter pulmonary valve replacement with the harmony TPV25 device
Authors: Taylor Anne , Yang Jeffrey , Dubin Anne , Chubb Mark Henry , Motonaga Kara , Goodyer Will , Giacone Heather , Peng Lynn , Romfh Anitra , McElhinney Doff , Ceresnak Scott 
Published: October 2022

AbstractBackgroundTranscatheter pulmonary valve replacement (TPVR) with the Harmony valve (Medtronic, Inc.) was recently approved to treat postoperative native outflow tract pulmonary regurgitation. While the 22 mm Harmony valve Early Feasibility Study demonstrated ventricular tachycardia (VT) in only 5% of patients, little is known about ventricular arrhythmias after TPVR with the larger 25 mm valve (TPV25).MethodsA single center review was performed of patients with TPV25 implant from 2020 to 2021. Demographic, cardiac, procedural, and postimplant cardiac telemetry data were collected and compared between patients who did and did not have peri‐implant ventricular arrhythmia.ResultsThirty patients underwent TPV25 at a median age of 30 years. On postimplant telemetry, VT events were documented in 12 patients (40%); 11 nonsustained VT (NSVT) (median 3 episodes per patient and 6 beats per episode, maximum 157 episodes) and 1 sustained VT (3%), with Torsades de Pointes secondary to a short coupled premature ventricular contraction (PVC). VT events were associated with annular valve positioning (p < 0.001) and increased postimplant PVC burden (p < 0.0001), but there was no association between VT and other demongraphic, historical, or procedural factors. The frequency of NSVT events fell from 3/h from 0 to 12 h postimplant to 0.5/hr from 12 to 24 h (p < 0.001).ConclusionVT occurred commonly (40%) in the first 24 h after TPV25 implant, with self‐limited NSVT in 11 of 12 patients and 1 patient with cardiac arrest secondary to Torsades de Pointes. VT only occurred with annular valve positioning. Larger, longer‐term studies are needed to determine risk factors for and natural history of post‐TPVR VT.
The Influence of Small Biomolecules, Salts and Buffers on the Molecular Recognition of Amide Naphthotube in Aqueous Solutions
Authors: Li Ming‐Shuang , Dong Yi‐Wei , Pang Xin‐Yu , Chai Hongxin , Wang Xiaoping , Jiang Wei 
Published: October 2022

AbstractWe found the binding affinities of amide naphthotube to neutral organic molecules in water are not influenced by most of small biomolecules, inorganic salts, and PBS and Tris buffers but are reduced in HEPES buffer through competitive binding. Nevertheless, salts do change the binding affinities of amide naphthotube to charged molecules through a screening effect.
Management of allergic rhinitis symptoms in the pharmacy Pocket guide 2022
Authors: Lourenço Olga , Cvetkovski Biljana , Kritikos Vicky , House Rachel , Scheire Sophie , Costa Elisio M , Fonseca João A. , Menditto Enrica , Bedbrook Anna , Bialek Slawomir , Briedis Vitalis , Boussery Koen , Canonica G. Walter , Haahtela Tari , Kuna Piotr , Mullol Joaquim , Orlando Valentina , Samolinski Boleslaw , Wallace Dana , Duggan Catherine , Paulino Ema , Pinto Gonçalo S. , Söderlund Lars‐Åke , Bousquet Jean , Bosnic‐Anticevich Sinthia 
Published: October 2022

AbstractBackgroundAllergic rhinitis (AR) management requires a coordinated effort from healthcare providers and patients. Pharmacists are key members of these integrated care pathways resolving medication‐related problems, optimizing regimens, improving adherence and recommending therapies while establishing liaisons between patients and physicians.MethodsAllergic Rhinitis and its Impact on Asthma (ARIA) first published a reference document on the pharmacist's role in allergic rhinitis management in 2004. Several guidelines were developed over the past 20 years improving the care of allergic rhinitis patients through an evidence‐based, integrated care approach.ResultsThis ARIA/EAACI/FIP Position Paper is based on the latest ARIA in the Pharmacy guidelines and provides: (a) a structured approach to pharmacists identifying people with AR and/or allergic conjunctivitis as well as those at risk of poor disease control; (b) an evidence‐based clinical decision support tool for optimising the management of allergic rhinitis in the community pharmacy; and (c) a framework of referral to the physician.ConclusionThis document is not intended to be a mandatory standard of care but is provided as a basis for pharmacists and their staff to develop relevant local standards of care for their patients, within their local practice environment. Pharmacy care varies between countries, and the guide should be adapted to the local situation.