bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design and Experiment of Polyimide/Ti Wire Composite with the Interface Chemically Grafted through Carbon Nanotubes
Authors: Wang Hao , Jin Kai , Tao Jie 
Published: December 2020

AbstractHerein, an efficient method is proposed to develop polyimide (PI)/titanium (Ti) wire composite with the interface chemically grafted through carbon nanotubes (CNTs). In order to reduce the research cost and blindness, nine strategies are designed herein to improve the interface compatibility of PI/Ti by using the simulation approach, and then an ideal solution is obtained to prepare the new composite material. The PI/Ti simulation model with interface grafted using different CNTs functionalized through ester and amide bonds is established. It is found that the interface cohesive energy can be improved by 276.7% by grafting COOH@MWCNTs through ester bond. Then, based on the simulation results, the PI/Ti wire composite with the interface chemically grafted through COOH@MWCNTs is prepared successfully, which exhibits an increase of 243.3% in interface shear strength (IFSS). Furthermore, the result also indicates that when the orientation of grafted COOH@MWCNTs is perpendicular to the Ti surface, its interface performance achieves the maximum with an IFSS increase of 301.3%. This method can also be used to improving the interface performance of Ti/Cf/polymerized monomer reactant (PMR) polyimide hybrid composite laminates (also known as TiGr).
Copper‐catalyzed Reaction of Anthranils with Methyl Ketones: Site‐Selective C5‐Dicarbonylation of Anthranils
Authors: Zhuang Shi‐Yi , Tang Yong‐Xing , He Cai , Chen Xiang‐Long , Xue Wei‐Jian , Wu Yan‐Dong , Wu An‐Xin 
Published: December 2020

AbstractA copper‐catalyzed site‐selective C5‐dicarbonylation reaction of anthranils has been developed for synthesis of 1,2‐dicarbonyl compounds using methyl ketone as a commercially available carbonylation reagent. This process represents the first example to implement the C5‐dicarbonylation of anthranils, which involves an oxidative Csp3‐H/Csp2‐H cross‐coupling reaction along with thermolytic N−O bond cleavage.magnified image
Synthetic Chemistry with Lewis Acidity‐Diminished B(aam) and B(dan) Groups: Borylation Reactions and Direct Cross‐Couplings
Authors: Kamio Shintaro , Yoshida Hiroto 
Published: December 2020

AbstractThis review describes recent advances in the synthesis of anthranilamide/1,8‐diaminonaphthalene‐substituted organoboron compounds with diminished boron Lewis acidity via catalytic B(aam)‐ and B(dan)‐installing borylation reactions, which have attracted growing attention especially in the last five years owing to their unique reactivity, regioselectivity, and the outstanding stability toward air and moisture of organoboron compounds obtained therefrom. Direct Suzuki–Miyaura cross‐couplings with R–B(aam)/B(dan), which were believed to be wholly unreactive until recently, are also discussed.magnified image
The Role of Cycle Life on the Environmental Impact of Li6.4La3Zr1.4Ta0.6O12 based Solid‐State Batteries
Authors: Smith Lucy , Ibn‐Mohammed Taofeeq , Astudillo Dolores , Brown Solomon , Reaney Ian M. , Koh S. C. Lenny 
Published: December 2020

AbstractThis study compares the environmental impacts of a lithium‐ion battery (LiB), utilizing a lithium iron phosphate cathode, with a solid‐state battery (SSB) based on a Li6.4La3Zr1.4Ta0.6O12 garnet‐structured electrolyte. It uses a hybrid life cycle assessment (LCA), according to two functional units, delivery of 50 MJ of electrical energy and kg of battery, to expand the system boundary. The results of the process LCA indicate that the environmental impact of LiBs is lower than SSBs across most environmental impact categories. Conversely, the input–output upstream global warming potential (GWP) of the LiBs, calculated by hybrid LCA, is higher than that of the SSBs. Sensitivity analysis shows that the SSB cycle life must increase from 100 to 2800 to achieve a GWP impact lower than that of LiBs and therefore outperform LiBs in this environmental impact category. The study, therefore, demonstrates that research into SSBs must be accelerated to achieve a functional and safe battery technology with a reduced impact on the environment.
The impact of geographical positioning on agri‐food businesses' failure considering nonlinearities
Authors: Mate‐Sánchez‐Val Mariluz 
Published: December 2020

AbstractThis study applies spatial econometric techniques to evaluate the effect of external economic agents located in agri‐food business environments on the probability of those businesses failing. A logistic regression model that incorporates spatial interactions has been applied to the data. In addition, the article proposes an intermediate step in the modeling process based on generalized additive models to determine the specific functional relationships between the probit model and the explanatory variables. The results reveal that geographic location has a significant effect on the probability that agri‐food companies fail to find significant nonlinearities. [EconLit Citations: G33, Q14, R10]
Difference between carbohydrate antigen 19‐9 and fluorine‐18 fluorodeoxyglucose positron emission tomography in evaluating the treatment efficacy of neoadjuvant treatment in patients with resectable and borderline resectable pancreatic ductal adenocarcinoma: Results of a dual‐center study
Authors: Akita Hirofumi , Takahashi Hidenori , Eguchi Hidetoshi , Asukai Kei , Hasegawa Shinichiro , Wada Hiroshi , Iwagami Yoshifumi , Yamada Daisaku , Tomimaru Yoshito , Noda Takehiro , Gotoh Kunihito , Kobayashi Shogo , Doki Yuichiro , Sakon Masato 
Published: December 2020

AbstractBackgroundAn accurate evaluation of neoadjuvant treatment is important to maximize the prognostic benefit of this strategy in each individual patient. The main aim of the present study is to investigate the difference between carbohydrate antigen 19‐9 and fluorine‐18 fluorodeoxyglucose positron emission tomography (FDG‐PET) in evaluating the response to neoadjuvant treatment for resectable and borderline resectable pancreatic ductal adenocarcinoma (PDAC) patients.MethodsPancreatic ductal adenocarcinoma patients with positive standard uptake values (SUV) on FDG‐PET before neoadjuvant chemoradiotherapy (NACRT) were enrolled (n = 141). In all patients, CA19‐9 and FDG‐PET were evaluated before the initiation of and after the completion of NACRT. The statuses of CA19‐9 and FDG uptake alterations during NACRT were assessed in association with survival and tumor recurrence profiles.ResultsA favorable response in each CA19‐9 and FDG‐PET was significantly related to better survival, respectively, than the unfavorable response (44.3% vs 19.5%, P < .001 and 45.8% vs 24.6%, P < .001). The status of CA19‐9 was significantly associated with the incidence of distant recurrence whereas the status of FDG‐PET was significantly associated with the incidence of local recurrence, and only patients with a favorable response in both CA19‐9 and PET statuses showed a significantly better survival than the others (5‐year survival: 56% vs 24%, P < .001), and those with unfavorable response in either of CA19‐9 or PET status showed similar poor survival to those with unfavorable in both (P = .164).ConclusionCA19‐9 and PET evaluation provided oncologically different risk assessments in terms of tumor recurrence profile, and favorable response in both CA19‐9 and FDG‐PET were necessary to achieve prognostic benefit from NACRT.
Implementing long‐term baselines into primate tool‐use studies
Authors: Bandini Elisa 
Published: December 2020

AbstractStudies on primate tool‐use often involve the use of baseline conditions, as they allow for the examination of any differences in the subjects' behavior before and after the introduction of a tool‐use task. While these baseline conditions can be powerful for identifying the relative contributions of individual and social learning for the acquisition of tool‐use behaviors in naïve (usually captive) subjects, many have criticized them for being too short, and not allowing enough time for the behavior to develop spontaneously. Furthermore, some wild tool‐use behaviors such as chimpanzee nut‐cracking require animals to manipulate and familiarize themselves with the materials of the behavior within a “sensitive learning period” before it develops later on in life. One solution to this problem is to implement long‐term baselines, in which, with collaboration with zoological institutions, the materials of the behavior are left in the enclosure for an extended period. The keepers would then be asked not to demonstrate or train the animals in the target behavior, but to report back to the researchers if they observe the behavior emerge during this extended period. Alongside keeper reports, video cameras could be installed in the enclosure to minimize the chance of false negatives and to allow for coding and inter‐rater reliability to be carried out on the videos. These long‐term baselines therefore provide extended enrichment opportunities for the animals, alongside allowing the zoological institution to publicize their involvement with the study and guests to observe animals interacting with different testing apparatuses and tools. Finally, long‐term baselines can provide invaluable insight on the individual and social learning abilities of primates as well as the potential development stages and sensitive learning periods required for specific behaviors.
Endogenous antagonists of N‐methyl‐d‐aspartate receptor in schizophrenia
Authors: Jorratt Pascal , Hoschl Cyril , Ovsepian Saak V. 
Published: December 2020

AbstractSchizophrenia is a chronic neuropsychiatric brain disorder that has devastating personal impact and rising healthcare costs. Dysregulation of glutamatergic neurotransmission has been implicated in the pathobiology of the disease, attributed largely to the hypofunction of the N‐methyl‐d‐aspartate (NMDA) receptor. Currently, there is a major gap in mechanistic analysis as to how endogenous modulators of the NMDA receptors contribute to the onset and progression of the disease. We present a systematic review of the neurobiology and the role of endogenous NMDA receptor antagonists in animal models of schizophrenia, and in patients. We discuss their neurochemical origin, release from neurons and glia with action mechanisms, and functional effects, which might contribute toward the impairment of neuronal processes underlying this complex pathological state. We consider clinical evidence suggesting dysregulations of endogenous NMDA receptor in schizophrenia, and highlight the pressing need in future studies and emerging directions, to restore the NMDA receptor functions for therapeutic benefits.
Selective Oxidation of Anilines to Azobenzenes and Azoxybenzenes by a Molecular Mo Oxide Catalyst
Authors: Han Sheng , Cheng Ying , Liu Shanshan , Tao Chaofu , Wang Aiping , Wei Wanguo , Yu Han , Wei Yongge 
Published: December 2020

AbstractAromatic azo compounds, which play an important role in pharmaceutical and industrial applications, still face great challenges in synthesis. Herein, we report a molybdenum oxide compound, [N(C4H9)4]2[Mo6O19] (1), catalyzed selective oxidation of anilines with hydrogen peroxide as green oxidant. The oxidation of anilines can be realized in a fully selectively fashion to afford various symmetric/asymmetric azobenzene and azoxybenzene compounds, respectively, by changing additive and solvent, avoiding the use of stoichiometric metal oxidants. Preliminary mechanistic investigations suggest the intermediacy of highly active reactive and elusive Mo imido complexes.
A Broad‐Spectrum Catalytic Amidation of Sulfonyl Fluorides and Fluorosulfates**
Authors: Wei Mingjie , Liang Dacheng , Cao Xiaohui , Luo Wenjun , Ma Guojian , Liu Zeyuan , Li Le 
Published: December 2020

AbstractA broad‐spectrum, catalytic method has been developed for the synthesis of sulfonamides and sulfamates. With the activation by the combination of a catalytic amount of 1‐hydroxybenzotriazole (HOBt) and silicon additives, amidations of sulfonyl fluorides and fluorosulfates proceeded smoothly and excellent yields were generally obtained (87–99 %). Noticeably, this protocol is particularly efficient for sterically hindered substrates. Catalyst loading is generally low and only 0.02 mol % of catalyst is required for the multidecagram‐scale synthesis of an amantadine derivative. In addition, the potential of this method in medicinal chemistry has been demonstrated by the synthesis of the marketed drug Fedratinib via a key intermediate sulfonyl fluoride 13. Since a large number of amines are commercially available, this route provides a facile entry to access Fedratinib analogues for biological screening.
Self‐Pillared Ultramicroporous Carbon Nanoplates for Selective Separation of CH4/N2
Authors: Xu Shuang , Li Wen‐Cui , Wang Cheng‐Tong , Tang Lei , Hao Guang‐Ping , Lu An‐Hui 
Published: December 2020

AbstractThere is growing evidence that pillaring up a densely packed ultramicroporous two‐dimensional (2D) structure is an effective strategy to reduce their internal diffusion. Reliable pillaring paradigms, however, is rather challenging. Here we report a one‐pot multi‐component sequential assembly method for the preparation of a new self‐pillared 2D polymer and ultramicroporous carbon with integrated surface protrusions. The molecular level pillaring process is surprisingly fast, that is, in 10 min. The thickness of nanoplate edge and the density (roughness), angle as well as height of protrusions can be precisely tuned. Exemplified in coal bed methane purification/separation, this unique pillared 2D carbons exhibit a CH4/N2 selectivity up to 24 at a low CH4 partial pressure and two orders of magnitude faster CH4 diffusion kinetics than the commercial carbon molecular sieves. This solution synthesis methodology is generalizable for creation and fine tuning of pillared 2D heterostructures.
Scan and Unlock: A Programmable DNA Molecular Automaton for Cell‐Selective Activation of Ligand‐Based Signaling
Authors: Zhang Jinghui , Qiu Zongyang , Fan Jiahui , He Fang , Kang Wenyuan , Yang Sihui , Wang Hong‐Hui , Huang Jing , Nie Zhou 
Published: December 2020

AbstractSelective modulation of ligand–receptor interaction is essential in targeted therapy. In this study, we design an intelligent “scan and unlock” DNA automaton (SUDA) system to equip a native protein‐ligand with cell‐identity recognition and receptor‐mediated signaling in a cell‐type‐specific manner. Using embedded DNA‐based chemical reaction networks (CRNs) on the cell surface, SUDA scans and evaluates molecular profiles of cell‐surface proteins via Boolean logic circuits. Therefore, it achieves cell‐specific signal modulation by quickly unlocking the protein‐ligand in proximity to the target cell‐surface to activate its cognate receptor. As a proof of concept, we non‐genetically engineered hepatic growth factor (HGF) with distinct logic SUDAs to elicit target cell‐specific HGF signaling and wound healing behaviors in multiple heterogeneous cell types. Furthermore, the versatility of the SUDA strategy was shown by engineering tumor necrotic factor‐α (TNFα) to induce programmed cell death of target cell subpopulations through cell‐specific modulation of TNFR1 signaling.
Cocrystal Engineering: Toward Solution‐Processed Near‐Infrared 2D Organic Cocrystals for Broadband Photodetection
Authors: Wang Yu , Wu Huang , Zhu Weigang , Zhang Xiaotao , Liu Zheyuan , Wu Yishi , Feng Changfu , Dang Yanfeng , Dong Huanli , Fu Hongbing , Hu Wenping 
Published: December 2020

AbstractLarge‐area 2D cocrystals with strong near‐infrared (NIR) absorption have been designed and prepared. Driven by the intermolecular charge‐transfer (CT) interactions, zinc tetraphenylporphyrin (donor) and C60 (acceptor) self‐assemble into a NIR cocrystal with absorption wavelength up to 1080 nm. By tailoring the growth solvents and processes, the cocrystal morphologies can be tuned from 1D nanowires, 2D nanosheets to large‐area 2D cocrystal films with length reaching several millimeters. Owing to the highly ordered donor–acceptor arrangement, the CT absorption in the 2D cocrystals is enhanced and is comparable to singlet absorption. The uniform 2D cocrystals, with enhanced CT absorption in the NIR region, displays a high responsivity of 2424 mA W−1 to NIR light and a fast response time of 0.6 s. The excellent device performance is attributed to the generation of long‐lived free charge carriers as revealed by transient absorption spectroscopy and optimization of device configuration.
Octagon‐Embedded Carbohelicene as a Chiral Motif for Circularly Polarized Luminescence Emission of Saddle‐Helix Nanographenes
Authors: Medel Miguel A. , Tapia Rubén , Blanco Victor , Miguel Delia , Morcillo Sara P. , Campaña Araceli G. 
Published: December 2020

AbstractWe report a new family of hexa‐peri‐hexabenzocoronene (HBC)‐based helical nanographenes incorporating π‐extended carbo[5]helicenes bearing an octagonal carbocycle. This family represents a new kind of highly distorted saddle‐helix hybrid nanographenes. For the first time, the eight‐membered ring becomes a constituent of both a carbo[5]helicene and a HBC and thus, the negative curvature is responsible for twisting both units. This novel chiral motif, namely, oct‐[5]helicene results in the largest torsion angle recorded so far for a carbo[5]helicene (θ=79.5°), as it has been suggested by DFT‐calculations and confirmed by X‐ray crystallography. Consequently, the barriers of isomerization become exceptionally high for a [5]helicene unsubstituted in the fjord region since neither racemization nor decomposition were observed at 200 °C for 1 or 3 during 5 h. Therefore, racemic resolutions allowed subsequent chiroptical studies showing the ECD and CPL responses of this novel family of chiral nanographenes.
Surface Functionalization of Black Phosphorus with Nitrenes: Identification of P=N Bonds by Using Isotopic Labeling
Authors: Walz Mitra Kendahl L. , Chang Christine H. , Hanrahan Michael P. , Yang Jiaying , Tofan Daniel , Holden William M. , Govind Niranjan , Seidler Gerald T. , Rossini Aaron J. , Velian Alexandra 
Published: December 2020

AbstractSurface functionalization of two‐dimensional crystals is a key path to tuning their intrinsic physical and chemical properties. However, synthetic protocols and experimental strategies to directly probe chemical bonding in modified surfaces are scarce. Introduced herein is a mild, surface‐specific protocol for the surface functionalization of few‐layer black phosphorus nanosheets using a family of photolytically generated nitrenes (RN) from the corresponding azides. By embedding spectroscopic tags in the organic backbone, a multitude of characterization techniques are employed to investigate in detail the chemical structure of the modified nanosheets, including vibrational, X‐ray photoelectron, solid state31P NMR, and UV‐vis spectroscopy. To directly probe the functional groups introduced on the surface, R fragments were selected such that in conjunction with vibrational spectroscopy,15N‐labeling experiments, and DFT methods, diagnostic P=N vibrational modes indicative of iminophosphorane units on the nanosheet surface could be conclusively identified.
Two‐Dimensional Porous Molybdenum Phosphide/Nitride Heterojunction Nanosheets for pH‐Universal Hydrogen Evolution Reaction
Authors: Gu Ying , Wu Aiping , Jiao Yanqing , Zheng Huiru , Wang Xueqi , Xie Ying , Wang Lei , Tian Chungui , Fu Honggang 
Published: December 2020

AbstractHerein, we present a new strategy for the synthesis of 2D porous MoP/Mo2N heterojunction nanosheets based on the pyrolysis of 2D [PMo12O40]3−‐melamine (PMo12‐MA) nanosheet precursor from a polyethylene glycol (PEG)‐mediated assembly route. The heterostructure nanosheets are ca. 20 nm thick and have plentiful pores (<5 nm). These structure features offer advantages to promote the HER activity, including the favorable water dissociation kinetics around heterojunction as confirmed by theoretical calculations, large accessible surface of 2D nanosheets, and enhanced mass‐transport ability by pores. Consequently, the 2D porous MoP/Mo2N heterojunction nanosheets exhibit excellent HER activity with low overpotentials of 89, 91 and 89 mV to achieve a current density of 10 mA cm−2 in alkaline, neutral and acidic electrolytes, respectively. The HER performance is superior to the commercial Pt/C at a current density >55 mA cm−2 in neutral medium and >190 mA cm−2 in alkaline medium.
Donor/Acceptor Pairs Created by Electrostatic Interaction: Design, Synthesis, and Investigation on the Exciplex Formed Within the Pair
Authors: He Lei , Bai Rubing , Yu Renyou , Meng Xianwen , Tian Mingxing , Wang Xiaoxiang 
Published: December 2020

AbstractExciplexes formed between donors and acceptors have been widely explored but isolating them from each other and tuning the interaction between the donor and acceptor have remained challenges. Here, we report donor/acceptor (D/A) pairs created by electrostatic interaction between a carbazole‐based anionic donor and a 1,3,5‐triazine‐based cationic acceptor and the exciplex formed within the pair. In a diluted film, the D/A pair affords an isolated exciplex which shows thermally activated delayed fluorescence (TADF). By changing the anchoring position of the imidazolium cation in the cationic acceptor, interactions between the donor and acceptor can be changed. Compared to the conventional exciplex formed in a neat film, the isolated exciplex exhibits a substantially higher luminescence efficiency. The D/A pairs show intriguing mechanochromic luminescence and mechanical grinding‐induced/reinforced TADF in the solid state and promising performances as emitters in organic light‐emitting diodes.
Rhodium‐Catalyzed Enantioselective Synthesis of β‐Amino Alcohols via Desymmetrization of gem‐Dimethyl Groups
Authors: Liu Bingxian , Xie Pengfei , Zhao Jie , Wang Juanjuan , Wang Manman , Jiang Yuqin , Chang Junbiao , Li Xingwei 
Published: December 2020

AbstractDesymmetrization of gem‐dimethyl groups en route to the rhodium(III)‐catalyzed enantioselective sp3 C−H amidation is reported. Synthetically important β‐amino alcohol derivatives were accessed in moderate to good yields and high enantioselectivity. The high enantioselectivity is enabled by an appropriate oxime directing group, sterically biased gem‐groups in the C−H substrate, and high reactivity of the amidating reagent.
Enriching Structural Diversity of Alkynyl‐Protected Gold Nanoclusters with Chlorides
Authors: Li Jiao‐Jiao , Guan Zong‐Jie , Yuan Shang‐Fu , Hu Feng , Wang Quan‐Ming 
Published: December 2020

AbstractThe synthesis and isolation of alkynyl/chloride‐protected gold nanoclusters is described. Silica gel column chromatography is effective in isolating gold nanoclusters from the as‐synthesized cluster mixture to give the clusters Na[Au25L18] (Au25), [HNEt3]3[Au67L32Cl4] (Au67), [HNEt3]4[Au106L40Cl12] (Au106), L=3,5‐bis(trifluoromethyl)‐phenylacetylide. Au67 and Au106 are new clusters; the structures were determined by X‐ray single‐crystal diffraction. Au67 contains a distorted Au18 Marks decahedron shelled by an irregular Au32 and further protected with two V‐shaped Au2L3, 13 linear AuL2 staples and 4 chlorides. Au67 is the first structurally determined 34e superatomic gold nanocluster. Au106 is composed of 106 Au atoms co‐protected by alkynyls and chlorides. It has a Au79 kernel, like in Au102(p‐MBA)44. The surface structure of Au106 includes 20 linear Au‐alkynyl staples, 5 Cl‐Au‐Cl and 2 Cl‐Au motifs. These three gold nanoclusters show size‐dependent electrochemical properties.
Tellurium(II)/Tellurium(III)‐Catalyzed Cross‐Dehydrogenative C−N Bond Formation
Authors: Cremer Christopher , Goswami Monalisa , Rank Christian K. , de Bruin Bas , Patureau Frederic W. 
Published: December 2020

AbstractThe TeII/TeIII‐catalyzed dehydrogenative C−H phenothiazination of challenging phenols featuring electron‐withdrawing substituents under mild aerobic conditions and with high yields is described. These unexpected TeII/TeIII radical catalytic properties were characterized by cyclic voltammetry, EPR spectroscopy, kinetic experiments, and DFT calculations.