bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Situ Coating Graphdiyne for High‐Energy‐Density and Stable Organic Cathodes
Authors: Li Liang , Zuo Zicheng , Wang Fan , Gao Jingchi , Cao Anmin , He Feng , Li Yuliang 
Published: February 2020

AbstractThe preparation of organic small‐molecule cathodes is simple and low‐cost; however, their low conductivity and molecular dissolution are two key issues that mean their energy density and power performance are far lower than those of inorganic batteries, thus hindering their practical application. To develop an effective coating technology is the key to obtain high‐performance organic batteries. A general method of in situ weaving all‐carbon graphdiyne nanocoatings is demonstrated. The graphdiyne can be conformally weaved on organic particles under mild conditions so that the conductivity is increased and the dissolution is suppressed. After weaving graphdiyne nanocoat, the active mass of the small‐molecule organic cathodes rise to 93%, thus delivering a higher energy density of 310 W h kg−1 than previously reported, and the power performance and long‐term stability are greatly improved. Additionally, this method shows great potential to become the crucial technology for fabricating organic batteries with energy density close to prevailing lithium‐ion batteries.
Conductive Hole‐Selective Passivating Contacts for Crystalline Silicon Solar Cells
Authors: Wan Lu , Zhang Cuili , Ge Kunpeng , Yang Xueliang , Li Feng , Yan Wensheng , Xu Zhuo , Yang Lin , Xu Ying , Song Dengyuan , Chen Jianhui 
Published: February 2020

AbstractDefect state passivation and conductivity of materials are always in opposition; thus, it is unlikely for one material to possess both excellent carrier transport and defect state passivation simultaneously. As a result, the use of partial passivation and local contact strategies are required for silicon solar cells, which leads to fabrication processes with technical complexities. Thus, one material that possesses both a good passivation and conductivity is highly desirable in silicon photovoltaic (PV) cells. In this work, a passivation‐conductivity phase‐like diagram is presented and a conductive‐passivating‐carrier‐selective contact is achieved using PEDOT:Nafion composite thin films. A power conversion efficiency of 18.8% is reported for an industrial multicrystalline silicon solar cell with a back PEDOT:Nafion contact, demonstrating a solution‐processed organic passivating contact concept. This concept has the potential advantages of omitting the use of conventional dielectric passivation materials deposited by costly high‐vacuum equipment, energy‐intensive high‐temperature processes, and complex laser opening steps. This work also contributes an effective back‐surface field scheme and a new hole‐selective contact for p‐type and n‐type silicon solar cells, respectively, both for research purposes and as a low‐cost surface engineering strategy for future Si‐based PV technologies.
Phenotypic expansion of KMT2D‐related disorder: Beyond Kabuki syndrome
Authors: Baldridge Dustin , Spillmann Rebecca C. , Wegner Daniel J. , Wambach Jennifer A. , White Frances V. , Sisco Kathleen , Toler Tomi L. , Dickson Patricia I. , Cole F. Sessions , Shashi Vandana , Grange Dorothy K. 
Published: February 2020

AbstractPathogenic variants in KMT2D, which encodes lysine specific methyltransferase 2D, cause autosomal dominant Kabuki syndrome, associated with distinctive dysmorphic features including arched eyebrows, long palpebral fissures with eversion of the lower lid, large protuberant ears, and fetal finger pads. Most disease‐causing variants identified to date are putative loss‐of‐function alleles, although 15–20% of cases are attributed to missense variants. We describe here four patients (including one previously published patient) with de novo KMT2D missense variants and with shared but unusual clinical findings not typically seen in Kabuki syndrome, including athelia (absent nipples), choanal atresia, hypoparathyroidism, delayed or absent pubertal development, and extreme short stature. These individuals also lack the typical dysmorphic facial features found in Kabuki syndrome. Two of the four patients had severe interstitial lung disease. All of these variants cluster within a 40‐amino‐acid region of the protein that is located just N‐terminal of an annotated coiled coil domain. These findings significantly expand the phenotypic spectrum of features associated with variants in KMT2D beyond those seen in Kabuki syndrome and suggest a possible new underlying disease mechanism for these patients.
Access to Heteroleptic Fluorido‐Cyanido Complexes with a Large Magnetic Anisotropy by Fluoride Abstraction
Authors: Liu Jun‐Liang , Pedersen Kasper S. , Greer Samuel M. , Oyarzabal Itziar , Mondal Abhishake , Hill Stephen , Wilhelm Fabrice , Rogalev Andrei , Tressaud Alain , Durand Etienne , Long Jeffrey R. , Clérac Rodolphe 
Published: February 2020

AbstractSilicon‐mediated fluoride abstraction is demonstrated as a means of generating the first fluorido‐cyanido transition metal complexes. This new synthetic approach is exemplified by the synthesis and characterization of the heteroleptic complexes, trans‐[MIVF4(CN)2]2− (M=Re, Os), obtained from their homoleptic [MIVF6]2− parents. As shown by combined high‐field electron paramagnetic resonance spectroscopy and magnetization measurements, the partial substitution of fluoride by cyanide ligands leads to a marked increase in the magnetic anisotropy of trans‐[ReF4(CN)2]2− as compared to [ReF6]2−, reflecting the severe departure from an ideal octahedral (Oh point group) ligand field. This methodology paves the way toward the realization of new heteroleptic transition metal complexes that may be used as highly anisotropic building‐blocks for the design of high‐performance molecule‐based magnetic materials.
Vacancy Engineering of Iron‐Doped W18O49 Nanoreactors for Low‐Barrier Electrochemical Nitrogen Reduction
Authors: Tong Yueyu , Guo Haipeng , Liu Daolan , Yan Xiao , Su Panpan , Liang Ji , Zhou Si , Liu Jian , Lu Gao Qing (Max) , Dou Shi Xue 
Published: February 2020

AbstractThe electrochemical nitrogen reduction reaction (NRR) is a promising energy‐efficient and low‐emission alternative to the traditional Haber–Bosch process. Usually, the competing hydrogen evolution reaction (HER) and the reaction barrier of ambient electrochemical NRR are significant challenges, making a simultaneous high NH3 formation rate and high Faradic efficiency (FE) difficult. To give effective NRR electrocatalysis and suppressed HER, the surface atomic structure of W18O49, which has exposed active W sites and weak binding for H2, is doped with Fe. A high NH3 formation rate of 24.7 μg h−1 mgcat−1 and a high FE of 20.0 % are achieved at an overpotential of only −0.15 V versus the reversible hydrogen electrode. Ab initio calculations reveal an intercalation‐type doping of Fe atoms in the tunnels of the W18O49 crystal structure, which increases the oxygen vacancies and exposes more W active sites, optimizes the nitrogen adsorption energy, and facilitates the electrocatalytic NRR.
Luminescent Metallacycle‐Cored Liquid Crystals Induced by Metal Coordination
Authors: Chen Long , Chen Changlong , Sun Yue , Lu Shuai , Huo Haohui , Tan Tianyi , Li Anquan , Li Xiaopeng , Ungar Goran , Liu Feng , Zhang Mingming 
Published: February 2020

AbstractTwo rhomboidal metallacycles based on metal‐coordination‐driven self‐assembly are presented. Because metal‐coordination interactions restrict the rotation of phenyl groups on tetraphenylethene units, these metallacycles were emissive both in solution and in solid state, and their aggregation‐induced emission properties were well‐retained. Moreover, the rhomboidal metallacyclic structures offer a platform for intermolecular packing beneficial for the formation of liquid crystalline phases. Therefore, although neither of building blocks shows mesogenic properties, both thermotropic and lyotropic (in DMF) mesophases were observed in one of metallacycles, indicating that mesophases could be induced by metal‐coordination interactions. This study not only reveals the mechanism for the formation of cavity‐cored liquid crystals, but also provides a convenient approach to preparing supramolecular luminescent liquid crystals, which will serve as good candidates for chemo sensors and liquid crystal displays.
Closing the Loop for Hydrogen Storage: Facile Regeneration of NaBH4 from its Hydrolytic Product
Authors: Zhu Yongyang , Ouyang Liuzhang , Zhong Hao , Liu Jiangwen , Wang Hui , Shao Huaiyu , Huang Zhenguo , Zhu Min 
Published: February 2020

AbstractSodium borohydride (NaBH4) is among the most studied hydrogen storage materials because it is able to deliver high‐purity H2 at room temperature with controllable kinetics via hydrolysis; however, its regeneration from the hydrolytic product has been challenging. Now, a facile method is reported to regenerate NaBH4 with high yield and low costs. The hydrolytic product NaBO2 in aqueous solution reacts with CO2, forming Na2B4O7⋅10 H2O and Na2CO3, both of which are ball‐milled with Mg under ambient conditions to form NaBH4 in high yield (close to 80 %). Compared with previous studies, this approach avoids expensive reducing agents such as MgH2, bypasses the energy‐intensive dehydration procedure to remove water from Na2B4O7⋅10 H2O, and does not require high‐pressure H2 gas, therefore leading to much reduced costs. This method is expected to effectively close the loop of NaBH4 regeneration and hydrolysis, enabling a wide deployment of NaBH4 for hydrogen storage.
Poly(2‐Oxazoline)‐Based Functional Peptide Mimics: Eradicating MRSA Infections and Persisters while Alleviating Antimicrobial Resistance
Authors: Zhou Min , Qian Yuxin , Xie Jiayang , Zhang Wenjing , Jiang Weinan , Xiao Ximian , Chen Sheng , Dai Chengzhi , Cong Zihao , Ji Zhemin , Shao Ning , Liu Longqiang , Wu Yuequn , Liu Runhui 
Published: February 2020

AbstractPeptides have important biological functions. However, their susceptibility to proteolysis limits their applications. We demonstrated here for the first time, that poly(2‐oxazoline) (POX) can work as a functional mimic of peptides. POX‐based glycine pseudopeptides, a host defense peptide mimic, had potent activities against methicillin‐resistant S. aureus, which causes formidable infections. The POX mimic showed potent activity against persisters that are highly resistant to antibiotics. S. aureus did not develop resistance to POX owning to the reactive oxygen species related antimicrobial mechanism. POX‐treated S. aureus is sensitive to common antibiotics, demonstrating no observable antimicrobial pressure or cross‐resistance in using antimicrobial POX. This study highlights POX as a new type of functional mimic of peptides and opens new avenues in designing and exploring peptide mimetics for biological functions and applications.
Myc and the Replicative CMG Helicase: The Creation and Destruction of Cancer
Authors: Reed Damon R. , Alexandrow Mark G. 
Published: February 2020

AbstractMyc‐driven tumorigenesis involves a non‐transcriptional role for Myc in over‐activating replicative Cdc45‐MCM‐GINS (CMG) helicases. Excessive stimulation of CMG helicases by Myc mismanages CMG function by diminishing the number of reserve CMGs necessary for fidelity of DNA replication and recovery from replicative stresses. One potential outcome of these events is the creation of DNA damage that alters genomic structure/function, thereby acting as a driver for tumorigenesis and tumor heterogeneity. Intriguingly, another potential outcome of this Myc‐induced CMG helicase over‐activation is the creation of a vulnerability in cancer whereby tumor cells specifically lack enough unused reserve CMG helicases to recover from fork‐stalling drugs commonly used in chemotherapy. This review provides molecular and clinical support for this provocative hypothesis that excessive activation of CMG helicases by Myc may not only drive tumorigenesis, but also confer an exploitable “reserve CMG helicase vulnerability” that supports developing innovative CMG‐focused therapeutic approaches for cancer management.
Pseudoblock of cavotricuspid isthmus via detouring gap conduction
Authors: Sekihara Takayuki , Sonoura Takuryu , Nakamura Yuka , Sunayama Isamu , Morishita Yu , Ishimi Masashi , Yamato Masashi , Yoshimura Takahiro , Yasuoka Yoshinori 
Published: February 2020

AbstractTo detect detouring gap conduction, as demonstrated in this case, 3‐D mapping is useful in addition to conventional methods.
Reconstitution of Food Powders Granulated with Oil‐in‐Water Emulsions
Authors: Rieder Anna , Franceschinis Erica , De Santi Martina , Realdon Nicola , Santomaso Andrea Claudio 
Published: February 2020

AbstractVegetable soups are complex mixtures containing vegetables in different percentages, thickeners, salt, fat, and emulsifying/wetting agents. When prepared as dehydrated powders in convenience foods, they need to be rehydrated before consumption and this can lead to formation of undesired lumps when carried out in hot water. Elimination of lumps and simplification of the preparation procedure were reached by granulating three different vegetable mixtures, each with a predominant vegetable (spinach, beetroot, and carrot), using an alternative liquid binder besides water. The use of an oil‐in‐water emulsion affected positively some technological properties of the dry products like granule strength and flowability, and the rehydrated soups in terms of complete dispersion in hot water. Also, the interplay between starches and soluble sugars, naturally present in vegetables, was found to impact the complete rehydration of the soups.
Correlating Solution‐ and Solid‐State Structures of Conformationally Flexible Resorcinarenes: Significance of a Sulfonyl Group in Intramolecular Self‐Inclusion
Authors: Pamuła Małgorzata , Nissinen Maija , Helttunen Kaisa 
Published: February 2020

AbstractThe synthesis of tetramethoxyresorcinarene podands bearing p‐toluene arms connected by ‐SO3‐ (1) and ‐CH2O‐ (2) linkers is presented herein. In the solid state, the resorcinarene podand 1 forms an intramolecular self‐inclusion complex with the pendant p‐toluene group of a podand arm, whereas the resorcinarene podand 2 does not show self‐inclusion. The conformations of the flexible resorcinarene podands in solution were investigated by variable‐temperature experiments using 1D and 2D NMR spectroscopic techniques as well as by computational methods, including a conformational search and subsequent DFT optimisation of representative structures. The 1H NMR spectra of 1 and 2 at room temperature show a single set of proton signals that are in agreement with C4v symmetry. At low temperatures, the molecules exist as a mixture of boat conformations featuring slow exchange on the NMR timescale. Energy barriers (ΔG≠298) of 55.5 and 52.0 kJ mol−1 were calculated for the boat‐to‐boat exchange of 1 and 2, respectively. The results of the ROESY experiments performed at 193 K and computational modelling suggest that in solution the resorcinarene podand 1 adopts a similar conformation to that present in its crystal structure, whereas podand 2 populates a more versatile range of conformations in solution.
DMT1 Inhibitors Kill Cancer Stem Cells by Blocking Lysosomal Iron Translocation
Authors: Turcu Andreea L. , Versini Antoine , Khene Nadjib , Gaillet Christine , Cañeque Tatiana , Müller Sebastian , Rodriguez Raphaël 
Published: February 2020

AbstractCancer stem cells (CSC) constitute a cell subpopulation in solid tumors that is responsible for resistance to conventional chemotherapy, metastasis and cancer relapse. The natural product Salinomycin can selectively target this cell niche by directly interacting with lysosomal iron, taking advantage of upregulated iron homeostasis in CSC. Here, inhibitors of the divalent metal transporter 1 (DMT1) have been identified that selectively target CSC by blocking lysosomal iron translocation. This leads to lysosomal iron accumulation, production of reactive oxygen species and cell death with features of ferroptosis. DMT1 inhibitors selectively target CSC in primary cancer cells and circulating tumor cells, demonstrating the physiological relevance of this strategy. Taken together, this opens up opportunities to tackle unmet needs in anti‐cancer therapy.
Polar Organofluorine Substituents: Multivicinal Fluorines on Alkyl Chains and Alicyclic Rings
Authors: O'Hagan David 
Published: February 2020

AbstractThis Review outlines the progression, primarily of our own work, but with important contributions from other labs, on the synthesis and properties of multiple vicinally fluorinated alkyl chains and rings. Chain conformations of individual diastereoisomers with ‐CHF‐ at adjacent carbons are influenced by stereoelectronic factors associated with the polar C−F bond and the polarised geminal hydrogens. Generally, the chain will prefer a conformation which acts to minimise overall molecular polarity, and where the C−F bonds orient away from each other. However, when vicinal fluorine atoms are positioned on a ring then conformations are more constrained. The ring will adopt optimal conformations such as a chair in cyclohexane and then C−F bonds can be introduced with a stereochemistry that forces parallel (axial) orientations. In the case of cyclohexane, 1,3‐diaxial arrangements of C−F bonds impart considerable polarity to the ring, resulting in an electronegative ‘fluorine face’ and an electropositive ‘hydrogen face’. For all‐syn 1,2,3,4,5,6‐hexafluorocyclohexane, this arrangement generates an unusually polar aliphatic ring system. Most recently the concept has been extended to the preparation of all‐syn 1,2,3‐trifluorocyclopropanes, a rigid ring system with fluorine atoms on one face and hydrogens on the other. Lipophilicity Log P values of such compounds indicate that they are significantly more polar than their parent alicyclic hydrocarbons and give some positive indication for a future role of such substituents in medicinal chemistry. Expanding to such a role will require access to improved synthesis methods to these motifs and consequently access to a broader a range of building blocks, however some exciting new methods have emerged recently and these are briefly reviewed.
Generating Excess Protons in Microsolvated Acid Clusters under Ambient Conditions: An Issue of Configurational Entropy versus Internal Energy
Authors: Pérez de Tudela Ricardo , Marx Dominik 
Published: February 2020

AbstractAcid dissociation, and thus liberation of excess protons in small water droplets, impacts on diverse fields such as interstellar, atmospheric or environmental chemistry. At cryogenic temperatures below 1 K, it is now well established that as few as four water molecules suffice to dissociate the generic strong acid HCl, yet temperature‐driven recombination sets in simply upon heating that cluster. Here, the fundamental question is posed of how many more water molecules are required to stabilize a hydrated excess proton at room temperature. Ab initio path integral simulations disclose that not five, but six water molecules are needed at 300 K to allow for HCl dissociation independently from nuclear quantum effects. In order to provide the molecular underpinnings of these observations, the classical and quantum free energy profiles were decomposed along the dissociation coordinate in terms of the corresponding internal energy and entropy profiles. What decides in the end about acid dissociation, and thus ion pair formation, in a specific microsolvated water cluster at room temperature is found to be a fierce competition between classical configurational entropy and internal energy, where the former stabilizes the undissociated state whereas the latter favors dissociation. It is expected that these are generic findings with broad implications on acid–base chemistry depending on temperature in small water assemblies.
Intratumor heterogeneity could inform the use and type of postoperative adjuvant therapy in patients with head and neck squamous cell carcinoma
Authors: Mroz Edmund A. , Patel Krupal B. , Rocco James W. 
Published: February 2020

BackgroundAfter surgery for head and neck squamous cell carcinoma (HNSCC), decisions regarding adjuvant radiotherapy (RT) or chemoradiotherapy (CRT) are based on staging and the presence of high‐risk pathology. Because higher mutant allele tumor heterogeneity (MATH; a measure of intratumor genetic heterogeneity) is associated with shorter overall survival (OS) in patients with HNSCC, the authors sought to determine whether MATH analysis might further inform these decisions.MethodsAdjuvant therapy–associated relationships between MATH and OS were analyzed for 389 patients with HNSCC who were treated surgically. Data were obtained from The Cancer Genome Atlas and analyzed with Cox proportional hazards multiple regression accounting for 7 other patient characteristics.ResultsThe relationship between MATH and OS differed with adjuvant therapy in a way that could inform therapy decisions. Adjuvant RT alone was found to provide substantial benefit for patients having high‐MATH tumors (RT vs no adjuvant therapy: hazard ratio, 0.29 [95% CI, 0.17‐0.51]) but no benefit for those having low‐MATH tumors. In contrast, adjuvant CRT provided no benefit beyond that of adjuvant RT for patients with high‐MATH tumors but substantially improved OS among patients with low‐MATH tumors (CRT vs no adjuvant therapy: hazard ratio, 0.34 [95% CI, 0.15‐0.78]).ConclusionsThe results of the current analysis suggested that patients with HNSCC with high‐MATH tumors who underwent surgical treatment could benefit from adjuvant RT, even when current clinical guidelines indicate otherwise. The addition of adjuvant chemotherapy for patients with high‐MATH tumors would not be indicated. Adding chemotherapy might be necessary to radiosensitize low‐MATH tumors to adjuvant RT. This potential predictive role of tumor MATH analysis should be evaluated in prospective clinical trials.
Improving the impact of power efficiency in mobile cloud applications using cloudlet model
Authors: Tawalbeh Lo'ai , Tawalbeh Mohammad A. , Aldwairi Monther 
Published: February 2020

SummaryThe applications and services of Information and Communication Technologies are becoming a very essential part of our daily life. In addition, the spread of advanced technologies including the cloud and mobile cloud computing (MCC), wireless communication, and smart devices made it easy to access the internet and utilize unlimited number of services. For example, we use mobile applications to carry out critical tasks in hospitals, education, finance, and many others. This wide useful usage makes the smart devices an essential component of our daily life. The limited processing capacity and battery lifetime of mobile devices are considered main challenges. This challenge is increased when executing intensive applications. The MCC is believed to overcome these limitations. There are many models in MCC and one efficient model is the cloudlet‐based computing. In this model, the mobile devices users communicate with the cloudlets using cheaper efficient technologies, and offload the job requests to be executed on the cloudlet rather than on the enterprise cloud or on the device itself. In this article, we investigated the cloudlet‐based MCC architecture, and more specifically, the cooperative cloudlets model. In this model, the applications that require intensive computations such as image processing are offloaded from the mobile device to the nearest cloudlet. If the task cannot be accomplished at this cloudlet, the cloudlets cooperate with each other to accomplish the user request and send the results back to the user. To demonstrate the efficiency of this cooperative cloudlet‐based MCC model, we conducted real experiments that execute selected applications such as: object code recognition, and array sorting to measure the delay and power consumption of the cloudlet‐based system. Moreover, suitable cloud/mobile cloud simulators such as CloudSim and MCCSim will be used to perform simulation experiments and obtain time and power results.