bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cofactor‐Assisted Artificial Enzyme with Multiple Li‐Bond Networks for Sustainable Polysulfide Conversion in Lithium–Sulfur Batteries
Authors: Zhou Suya , Yang Shuo , Cai Dong , Liang Ce , Yu Shuang , Hu Yue , Nie Huagui , Yang Zhi 
Published: November 2021

AbstractLithium–sulfur batteries possess high theoretical energy density but suffer from rapid capacity fade due to the shuttling and sluggish conversion of polysulfides. Aiming at these problems, a biomimetic design of cofactor‐assisted artificial enzyme catalyst, melamine (MM) crosslinked hemin on carboxylated carbon nanotubes (CNTs) (i.e., [CNTs–MM–hemin]), is presented to efficiently convert polysulfides. The MM cofactors bind with the hemin artificial enzymes and CNT conductive substrates through FeN5 coordination and/or covalent amide bonds to provide high and durable catalytic activity for polysulfide conversions, while π–π conjugations between hemin and CNTs and multiple Li‐bond networks offered by MM endow the cathode with good electronic/Li+ transmission ability. This synergistic mechanism enables rapid sulfur reaction kinetics, alleviated polysulfide shuttling, and an ultralow (<1.3%) loss of hemin active sites in electrolyte, which is ≈60 times lower than those of noncovalent crosslinked samples. As a result, the Li–S battery using [CNTs–MM–hemin] cathode retains a capacity of 571 mAh g−1 after 900 cycles at 1C with an ultralow capacity decay rate of 0.046% per cycle. Even under raising sulfur loadings up to 7.5 mg cm−2, the cathode still can steadily run 110 cycles with a capacity retention of 83%.
Electrochemical Oxidative Selenolactonization of Alkenoic Acids with Diselenides: Synthesis of Selenated γ‐Lactones
Authors: Kim Yebin , Jang Jihoon , Kim Dae Young 
Published: November 2021

AbstractThe novel electrochemical oxidative radical selenylation and cyclization sequences of alkenoic acid derivatives are described. This transformation is an environmentally friendly approach using stable diselenides as selenium radical precursors without external oxidizing reagents. The various selenated γ‐lactone derivatives could be synthesized in moderate to high yields.
Oral Anticoagulants in the Oldest Old with Recent Stroke and Atrial Fibrillation
Authors: Polymeris Alexandros A. , Macha Kosmas , Paciaroni Maurizio , Wilson Duncan , Koga Masatoshi , Cappellari Manuel , Schaedelin Sabine , Zietz Annaelle , Peters Nils , Seiffge David J. , Haupenthal David , Gassmann Luise , De Marchis Gian Marco , Wang Ruihao , Gensicke Henrik , Stoll Svenja , Thilemann Sebastian , Avramiotis Nikolaos S. , Bonetti Bruno , Tsivgoulis Georgios , Ambler Gareth , Alberti Andrea , Yoshimura Sohei , Brown Martin M. , Shiozawa Masayuki , Lip Gregory Y. H. , Venti Michele , Acciarresi Monica , Tanaka Kanta , Mosconi Maria Giulia , Takagi Masahito , Jäger Rolf H. , Muir Keith , Inoue Manabu , Schwab Stefan , Bonati Leo H. , Lyrer Philippe A. , Toyoda Kazunori , Caso Valeria , Werring David J. , Kallmünzer Bernd , Engelter Stefan T. ,   NOACISP‐LONGTERM, Erlangen Registry, CROMIS‐2, RAF, RAF‐DOAC, SAMURAI‐NVAF and Verona Registry Collaborators
Published: November 2021

ObjectiveTo investigate the safety and effectiveness of direct oral anticoagulants (DOAC) versus vitamin K antagonists (VKA) after recent stroke in patients with atrial fibrillation (AF) aged ≥85 years.MethodsIndividual patient data analysis from seven prospective stroke cohorts. We compared DOAC versus VKA treatment among patients with AF and recent stroke (<3 months) aged ≥85 versus <85 years. Primary outcome was the composite of recurrent stroke, intracranial hemorrhage (ICH) and all‐cause death. We used simple, adjusted, and weighted Cox regression to account for confounders. We calculated the net benefit of DOAC versus VKA by balancing stroke reduction against the weighted ICH risk.ResultsIn total, 5,984 of 6,267 (95.5%) patients were eligible for analysis. Of those, 1,380 (23%) were aged ≥85 years and 3,688 (62%) received a DOAC. During 6,874 patient‐years follow‐up, the impact of anticoagulant type (DOAC versus VKA) on the hazard for the composite outcome did not differ between patients aged ≥85 (HR≥85y = 0.65, 95%‐CI [0.52, 0.81]) and < 85 years (HR<85y = 0.79, 95%‐CI [0.66, 0.95]) in simple (pinteraction = 0.129), adjusted (pinteraction = 0.094) or weighted (pinteraction = 0.512) models. Analyses on recurrent stroke, ICH and death separately were consistent with the primary analysis, as were sensitivity analyses using age dichotomized at 90 years and as a continuous variable. DOAC had a similar net clinical benefit in patients aged ≥85 (+1.73 to +2.66) and < 85 years (+1.90 to +3.36 events/100 patient‐years for ICH‐weights 1.5 to 3.1).InterpretationThe favorable profile of DOAC over VKA in patients with AF and recent stroke was maintained in the oldest old. ANN NEUROL 2022;91:78–88
Leveraging the n→π* Interaction in Alkene Isomerization by Selective Energy Transfer Catalysis
Authors: Neveselý Tomáš , Molloy John J. , McLaughlin Calum , Brüss Linda , Daniliuc Constantin G. , Gilmour Ryan 
Published: November 2021

AbstractExamples of geometric alkene isomerization in nature are often limited to the net exergonic direction (ΔG°<0), with the antipodal net endergonic processes (ΔG°>0) comparatively under‐represented. Inspired by the expansiveness of the maleate to fumarate (Z→E) isomerization in biochemistry, we investigated the inverse E→Z variant to validate nO→πC=O* interactions as a driving force for contra‐thermodynamic isomerization. A general protocol involving selective energy transfer catalysis with inexpensive thioxanthone as a sensitizer (λmax=402 nm) is disclosed. Whilst in the enzymatic process nO→πC=O* interactions commonly manifest themselves in the substrate, these same interactions are shown to underpin directionality in the antipodal reaction by shortening the product alkene chromophore. The process was validated with diverse fumarate derivatives (>30 examples, up to Z:E>99:1), including the first examples of tetrasubstituted alkenes, and the involvement of nO→πC=O* interactions was confirmed by X‐ray crystallography.
An Expanded 2D Fused Aromatic Network with 90‐Ring Hexagons
Authors: Riaño Alberto , Strutyński Karol , Liu Meng , Stoppiello Craig T. , Lerma‐Berlanga Belén , Saeki Akinori , Martí‐Gastaldo Carlos , Khlobystov Andrei N. , Valenti Giovanni , Paolucci Francesco , Melle‐Franco Manuel , Mateo‐Alonso Aurelio 
Published: November 2021

AbstractTwo‐dimensional fused aromatic networks (2D FANs) have emerged as a highly versatile alternative to holey graphene. The synthesis of 2D FANs with increasingly larger lattice dimensions will enable new application perspectives. However, the synthesis of larger analogues is mostly limited by lack of appropriate monomers and methods. Herein, we describe the synthesis, characterisation and properties of an expanded 2D FAN with 90‐ring hexagons, which exceed the largest 2D FAN lattices reported to date.
Clinical Development of Metal Complexes as Photosensitizers for Photodynamic Therapy of Cancer
Authors: Karges Johannes 
Published: November 2021

AbstractCancer has emerged over the last decades as one of the deadliest diseases in the world. Among the most commonly used techniques (i.e. surgery, immunotherapy, radiotherapy or chemotherapy), increasing attention has been devoted towards photodynamic therapy. However, the vast majority of clinically applied photosensitizers are not ideal and associated with several limitations including poor aqueous solubility, poor photostability and slow clearance from the body, causing photosensitivity. In an effort to overcome these drawbacks, much attention has been devoted towards the incorporation of a metal ion. Herein, the clinical development of metal‐containing compounds including Purlytin®, Lutrin®/Antrin®, Photosens®, TOOKAD® soluble or TLD‐1433 is critically reviewed.
Calix[4]pyrrole‐based Crosslinked Polymer Networks for Highly Effective Iodine Adsorption from Water
Authors: Xie Linhuang , Zheng Zhiye , Lin Qiuyuan , Zhou Huan , Ji Xiaofan , Sessler Jonathan L. , Wang Hongyu 
Published: November 2021

AbstractA series of calix[4]pyrrole‐based crosslinked polymer networks designed for iodine capture is reported. These materials were prepared by Sonogashira coupling of α,α,α,α‐tetra(4‐alkynylphenyl)calix[4]pyrrole with bishalide building blocks with different electronic properties and molecular sizes. Despite their low Brunauer–Emmett–Teller surface areas, iodine vapor adsorption capacities of up to 3.38 g g−1 were seen, a finding ascribed to the presence of a large number of effective sorption sites including macrocyclic π‐rich cavities, aryl units, and alkyne groups within the material. One particular system, C[4]P‐BTP, was found to be highly effective at iodine capture from water (uptake capacity of 3.24 g g−1 from a concentrated aqueous KI/I2 solution at ambient temperature). Fast capture kinetics (kobs=7.814 g g−1 min−1) were seen. Flow‐through adsorption experiments revealed that C[4]P‐BTP is able to remove 93.2 % of iodine from an aqueous source phase at a flow rate of 1 mL min−1.
Design, synthesis, molecular modeling, and antimicrobial potential of novel 3‐[(1H‐pyrazol‐3‐yl)imino]indolin‐2‐one derivatives as DNA gyrase inhibitors
Authors: Alzahrani Abdullah Y. , Ammar Yousry A. , Salem Mohamed A. , Abu‐Elghait Mohammed , Ragab Ahmed 
Published: November 2021

AbstractA series of 3‐[(1H‐pyrazol‐3‐yl)imino]indolin‐2‐one derivatives were designed using the molecular hybridization method, characterized using different spectroscopic techniques, and evaluated for their in vitro antimicrobial activity. Most of the target compounds demonstrated good to moderate antimicrobial activity compared with ciprofloxacin and fluconazole. Four compounds (8b, 9a, 9c, and 10a) showed encouraging results, with minimal inhibitory concentration (MIC) values (53.45–258.32 µM) comparable to those of norfloxacin (100.31–200.63 µM) and ciprofloxacin (48.33–96.68 µM). Noticeably, the four derivatives revealed excellent bactericidal and fungicidal activities, except for the bacteriostatic potential of compounds 8b and 9a against Escherichia coli and Staphylococcus aureus, respectively. The time‐killing kinetic study against S. aureus confirmed the efficacy of these derivatives. Furthermore, two of the four promising derivatives, 9a and 10a, could prevent the formation of biofilms of S. aureus without affecting the bacterial growth at low concentrations. A combination study with seven commercial antibiotics against the multidrug‐resistant bacterium P. aeruginosa showed a notable reduction in the antibiotic MIC values, represented mainly through a synergistic or additive effect. The enzymatic assay implied that the most active derivatives had inhibition potency against DNA gyrase comparable to that of ciprofloxacin. Molecular docking and density functional theory calculations were performed to explore the binding mode and study the reactivity of the promising compounds.
First‐line immune‐based combination therapies for advanced non‐small cell lung cancer: A Bayesian network meta‐analysis
Authors: Mao Ziyang , Jiang Panpan , Zhang Yajuan , Li Yanlin , Jia Xiaohui , Wang Qinyang , Jiao Min , Jiang Lili , Shen Yuan , Guo Hui 
Published: November 2021

AbstractBackgroundImmune‐based combination therapies have revolutionized the first‐line treatment for advanced non‐small cell lung cancer (NSCLC). However, for the efficacy and safety, the best treatment option is still uncertain.MethodsWe conducted a Bayesian network meta‐analysis of randomized controlled trials (RCTs) to evaluate first‐line immune‐based combination therapies for advanced NSCLC.ResultsFourteen trials involving 8467 patients were included. For the programmed cell death‐ligand 1 (PD‐L1) expression non‐selective patients, there were no significant differences among all the treatment modes for overall survival (OS), but the ranking profiles indicated that Immunotherapy + Immunotherapy + Chemotherapy (IO + IO + Chemo) was most likely to be the best mode (probability = 68%). Immunotherapy + Immunotherapy + Anti‐angiogenic therapy + Chemotherapy (IO + Anti‐angio + Chemo) was significantly better than most other treatment modes for progression‐free survival (PFS) with better objective response rate (ORR) and more obvious grade ≥3 treatment‐related adverse events (TRAEs). In PD‐L1‐high cohort, IO + Anti‐angio + Chemo seemed to be the best mode for OS, PFS, and ORR according to the ranking profiles. In PD‐L1‐intermediate and PD‐L1‐negative cohort, IO + IO + Chemo was inclined to be ranked first for prolonging OS (probability = 78%; 37%) and IO + Anti‐angio + Chemo was most likely to provide best PFS (probability = 96%; 100%).ConclusionIO + IO + Chemo has great potential to improve the OS regardless of histology type, especially in PD‐L1‐intermediate and PD‐L1‐negative cohort. IO + Anti‐angio + Chemo shows great superiority in improving the short‐term survival accompanied by increasing grade ≥3 TRAEs.
Overexpression of miR‐122 promotes apoptosis of dermal papilla cells by directly targeting IGF1R in androgenetic alopecia
Authors: He Ye , Liu Xiaomin , Qu Qian , Chen Jian , Fan Zhexiang , Zhu Decong , Miao Yong , Hu Zhiqi 
Published: November 2021

AbstractAndrogenetic alopecia (AGA) is the most common pattern of hair loss resulting from the effects of androgen on hair follicles. MicroRNAs (miRs) serve imperative roles in the regulation of many biological processes of hair follicles. However, the exact molecular mechanism of AGA remains to be elucidated. In the present study, we found miR‐122, which is mainly recognized as a tumor suppressor, was highly overexpressed in the bulb of balding hair follicles in comparison with nonbalding ones in AGA. Moreover, miR‐122 induces apoptosis of human dermal papilla cells (hDPCs) with miR‐122 mimics in vitro, and the expression of insulin‐like growth factor 1 receptor (IGF1R) in hDPCs was reduced following upregulation of miR‐122. Mechanistically, dual‐luciferase reporter assay confirmed that miR‐122 directly targeted the 3′‐untranslated region of IGF1R. These findings suggested that upregulation of miR‐122 induces apoptosis, potentially via the repression of IGF1R in hDPCs of AGA, providing a novel insight into the potential pathological mechanism of miR‐122 in AGA DPCs.
Tuning the Reactivity of a Substrate for SNAP‐Tag Expands Its Application for Recognition‐Driven DNA‐Protein Conjugation
Authors: Zhang Zhengxiao , Nakata Eiji , Dinh Huyen , Saimura Masayuki , Rajendran Arivazhagan , Matsuda Kazunari , Morii Takashi 
Published: November 2021

AbstractRecognition‐driven modification has been emerging as a novel approach to modifying biomolecular targets of interest site‐specifically and efficiently. To this end, protein modular adaptors (MAs) are the ideal reaction model for recognition‐driven modification of DNA as they consist of both a sequence‐specific DNA‐binding domain (DBD) and a self‐ligating protein‐tag. Coupling DNA recognition by DBD and the chemoselective reaction of the protein tag could provide a highly efficient sequence‐specific reaction. However, combining an MA consisting of a reactive protein‐tag and its substrate, for example, SNAP‐tag and benzyl guanine (BG), revealed rather nonselective reaction with DNA. Therefore new substrates of SNAP‐tag have been designed to realize sequence‐selective rapid crosslinking reactions of MAs with SNAP‐tag. The reactions of substrates with SNAP‐tag were verified by kinetic analyses to enable the sequence‐selective crosslinking reaction of MA. The new substrate enables the distinctive orthogonality of SNAP‐tag against CLIP‐tag to achieve orthogonal DNA‐protein crosslinking by six unique MAs.
Perovskite Light‐Emitting Electrochemical Cells Employing Electron Injection/Transport Layers of Ionic Transition Metal Complexes
Authors: Kang Wen‐Lu , Tsai Yi‐Ting , Ji Yan‐Cheng , Yi Rong‐Huei , Wang Yun‐Xin , Shen Hsiang‐Ling , Chen Xuan‐Jun , Hsu Yu‐Cheng , Lu Chin‐Wei , Yang Zu‐Po , Su Hai‐Ching 
Published: November 2021

AbstractRecently, perovskites have attracted intense attention due to their high potential in optoelectronic applications. Employing perovskites as the emissive materials of light‐emitting electrochemical cells (LECs) shows the advantages of simple fabrication process, low‐voltage operation, and compatibility with inert electrodes, along with saturated electroluminescence (EL) emission. Unlike in previously reported perovskite LECs, in which salts are incorporated in the emissive layer, the ion‐transport layer was separated from the emissive layer in this work. The layer of ionic transition metal complex (iTMC) not only provides mobile ions but also serves as an electron‐injection/transport layer. Orthogonal solvents are used in spin coating to prevent the intermixing of stacked perovskite and iTMC layers. The blue iTMC with high ionization potential is effective in blocking holes from the emissive layer and thus ensures EL color saturation. In addition, the carrier balance of the perovskite/iTMC LECs can be optimized by adjusting the iTMC layer thickness. The optimized external quantum efficiency of the CsPbBr3/iTMC LEC reaches 6.8 %, which is among the highest reported values for perovskite LECs. This work successfully demonstrates that, compared with mixing all components in a single emissive layer, separating the layer of ion transport, electron injection and transport from the perovskite emissive layer is more effective in adjusting device carrier balance. As such, solution‐processable perovskite/iTMC LECs open up a new way to realize efficient perovskite LECs.
Separable Hamiltonian PDEs and Turning Point Principle for Stability of Gaseous Stars
Authors: Lin Zhiwu , Zeng Chongchun 
Published: November 2021

AbstractWe consider stability of nonrotating gaseous stars modeled by the Euler‐Poisson system. Under general assumptions on the equation of states, we proved a turning point principle (TPP) that the stability of the stars is entirely determined by the mass–radius curve parametrized by the center density. In particular, the stability can only change at extrema (i.e., local maximum or minimum points) of the total mass. For a very general equations of state, TPP implies that for increasing center density the stars are stable up to the first mass maximum and unstable beyond this point until the next mass extremum (a minimum). Moreover, we get a precise counting of unstable modes and exponential trichotomy estimates for the linearized Euler‐Poisson system. To prove these results, we develop a general framework of separable Hamiltonian PDEs. The general approach is flexible and can be used for many other problems, including stability of rotating and magnetic stars, relativistic stars, and galaxies. © 2021 Wiley Periodicals LLC.
A Layered Polydiacetylene Containing Hydrogen‐Bonding 4,4′‐Bipyridyl Guests: Reversible Color Changes with a Wide‐Range Temperature Response
Authors: Mochizuki Yuki , Imai Hiroaki , Oaki Yuya 
Published: November 2021

AbstractInvited for this month's cover is the group of Prof. Yuya Oaki, Keio University, Japan. The cover picture shows a layered polydiacetylene containing hydrogen‐bonding 4,4′‐bipyridyl guests formed through self‐organization. In classical intercalation chemistry, the interlayer guests are intercalated in the host layers via rigid strong electrostatic interaction. The weaker interlayer interaction via hydrogen bond promotes the dynamic motion directing the thermoresponsive color changes in a wide temperature range. More information can be found in the Full Paper by Yuya Oaki, and co‐workers.
5‐Substituted 1,2,4‐Triazole‐3‐Carboxylates and 5‐Substituted Ribavirin Analogs Synthesis
Authors: Matveev Andrey V. , Grebenkina Lyubov E. , Prutkov Alexander N. , Chudinov Mikhail V. 
Published: November 2021

AbstractRibavirin analogs substituted at position 5 of the heterocyclic base are interesting for their biological activity. This protocol describes a synthetic route to several such ribavirin analogs with a wide range of substituents.© 2021 Wiley Periodicals LLC.Basic Protocol 1: Synthesis and purification of 5‐substituted ethyl 1,2,4‐triazole‐3‐carboxylates – synthetic precursors of nucleobasesBasic Protocol 2: Synthesis and purification of protected 1,2,4‐triazole nucleoside analogsBasic Protocol 3: Synthesis and purification of 5‐substituted ribavirin analogs
Productivity and profitability with fallow replacement forage, grain, and cover crops in W‐S‐F rotation
Authors: Holman Johnathon D. , Obour Augustine K. , Assefa Yared 
Published: November 2021

AbstractAdoption of cover crops is greatly dependent on their effect on the productivity of the main crops and profitability of system. The objective of this study was to quantify effects of spring fallow replacement grain, forage, and cover crops on winter wheat (Triticum aestivum L.) and grain sorghum (Sorghum bicolor) productivity and overall net return. This field study was conducted from 2013 through 2020 near Garden City, KS. Three phases of the wheat–sorghum–fallow (W‐S‐F) rotation were the main plots, and fallow and fallow replacement grain, forage, or cover crops were subplot treatments. Available soil water at planting (ASWP) of wheat was 58 to 81% less following forage and grain oat (Avena sativa L.) and triticale and ASWP of sorghum was 29% less following spring oat grain than fallow. Spring crops did not affect average wheat and sorghum yield, water use, or water productivity compared with fallow; likely because winter wheat yield potential over the study period was <1,700 or >3,500 kg ha−1. Fallow replacement crops increased cost of production by 16 to 97% compared with fallow, and costs were greater for forage and grain crops than cover crops. However, gross returns of forage crops were greater than cover crops or grain crops. Net return was greatest for triticale forage than spring pea (Pisum sativum L.) grain. We concluded no significant effect of spring fallow replacements on wheat and sorghum yield, but greater net return from spring triticale forage because of greater forage productivity and low seed cost.
Deciphering the composite morphological diversity ofLophelia pertusa, a cosmopolitan deep‐water ecosystem engineer
Authors: Sanna Giovanni , Freiwald André 
Published: November 2021

AbstractCold‐water coral reefs constitute important biodiversity hotspots in aphotic waters around the world. The complex, highly variable morphology of the reef habitat‐forming species has important implications for the communities they harbor and for the physical processes occurring therein.Lophelia pertusa(Desmophyllum pertusum) is one of the most common reef‐building cold‐water corals, but its morphological diversity has never been characterized on a broad scale. We qualitatively and quantitatively explored the patterns of morphological variation of this species over a wide geographic and ecological range, addressing corallite and colony traits and their interrelation. Geographic variation is evident at both corallite and colony level, although with distinct trends. By linking branching patterns to colony morphology, we identified three main morphotypes (asymmetrical, bushy, and columnar) with substantial geometric and architectural differences, which suggest high functional diversity of cold‐water coral reefs across regions. Colony morphology appears strongly governed by asexual budding of individual polyps, but largely decoupled from corallite morphology. We hypothesize that colony morphology is primarily driven by local hydrodynamic conditions and associated food supply.