bluuebunny/crossref_metadata_2025_split huggingface dataset:
Copper‐Catalyzed Reaction of Aryl Isocyanides with Active Methylene Isocyanides and Arylsulfonothioates: Synthesis of Sulfur‐Containing Trisubstituted Imidazoles
Authors: Xu Pei , Zhu Yi‐Ming , Li Xing‐Jia , Wang Fei , Wang Shun‐Yi , Ji Shun‐Jun 
Published: August 2019

AbstractA Copper‐catalyzed reaction of aryl isocyanides with active methylene isocyanides and arylsulfonothioates is developed for the synthesis of sulfur‐containing trisubstituted imidazoles. This reaction not only forms new C−C, C−N, and C−S bonds in one step, but also provides a new strategy for the construction of trisubstituted imidazoles based on the isocyanide‐isocyanide [3+2] cycloaddition.magnified image
Maximum spread of droplets on chemically striped surfaces
Authors: Zou Lei , Wang Hong , Zhu Xun , Chen Rong , Ding Yudong , Liao Qiang 
Published: August 2019

AbstractChemically striped surfaces have a strong ability to control the shape of droplets and even to split a droplet, which can be applied in microfluidic, printing fields and spray cooling fields. The droplet splitting behavior is affected by the number of hydrophobic stripes spanned by the droplet at its maximum spread moment, which is determined by the maximum spreading factor. In this study, an area ratio is adopted to analyze a droplet's spread on the hydrophilic and hydrophobic regions at maximum spread moment. Coupled with an energy conservation equation, an analytical model is presented to predict the maximum spread factor of a droplet on a chemically striped surface.
A market‐driven algorithm for the assessment of promising bio‐based chemicals
Authors: Helal Agustín , Kreimerman Roberto , Gutiérrez Soledad , Torres Ana I. 
Published: August 2019

AbstractActors willing to participate in biomass‐based value chains need to screen through a vast number of product options to identify the most promising ones. This is challenging as (a) processes for biomass‐based chemicals/materials are still in development stage, thus do not perform well in techno‐economic evaluations, (b) factors as which and how many links of the value chain should be uptaken, are not fully addressed by techno‐economic analysis. Inspired by the Five Forces framework for industry analysis, this work presents an algorithm‐like approach for assessing the attractiveness of biomass‐based products. The algorithm relies on market data to classify the different sources as posing a low, medium, or high threat to the profit of a company that is considering production of a certain chemical/material. The approach is exemplified by analyzing the attractiveness of the biomass‐lactic acid‐polylactic acid route in the context of defining pathways for development of a biomass‐based industry in Uruguay.
Beyond function: Engineering improved peptides for therapeutic applications
Authors: Adhikari Sayanee , Leissa Jesse A. , Karlsson Amy J. 
Published: August 2019

AbstractPeptides are a promising source of new therapeutics, but the biophysical characteristics of natural peptides, including their stability and propensity to aggregate, can limit their success. Protein engineering offers powerful tools to improve the properties of peptides for biological applications. In this review, we explain rational design, directed evolution, and computational methods and how these methods can be applied to improving the characteristics of peptides. We also provide a discussion of engineering the thermodynamic stability, self‐assembly, reduced aggregation, proteolytic stability, and binding affinity and specificity of peptides, along with a perspective on future directions in engineering therapeutic peptides.
Elements of morphology: Standard terminology for the teeth and classifying genetic dental disorders
Authors: de La Dure‐Molla Muriel , Fournier Benjamin Philippe , Manzanares Maria Cristina , Acevedo Ana Carolina , Hennekam Raoul C. , Friedlander Lisa , Boy‐Lefèvre Marie‐Laure , Kerner Stephane , Toupenay Steve , Garrec Pascal , Vi‐Fane Brigite , Felizardo Rufino , Berteretche Marie‐Violaine , Jordan Laurence , Ferré François , Clauss François , Jung Sophie , de Chalendar Myriam , Troester Sebastien , Kawczynski Marzena , Chaloyard Jessica ,   International Group of Dental Nomenclature, Manière Marie Cécile , Berdal Ariane , Bloch‐Zupan Agnès 
Published: August 2019

AbstractDental anomalies occur frequently in a number of genetic disorders and act as major signs in diagnosing these disorders. We present definitions of the most common dental signs and propose a classification usable as a diagnostic tool by dentists, clinical geneticists, and other health care providers. The definitions are part of the series Elements of Morphology and have been established after careful discussions within an international group of experienced dentists and geneticists. The classification system was elaborated in the French collaborative network “TÊTECOU” and the affiliated O‐Rares reference/competence centers. The classification includes isolated and syndromic disorders with oral and dental anomalies, to which causative genes and main extraoral signs and symptoms are added. A systematic literature analysis yielded 408 entities of which a causal gene has been identified in 79%. We classified dental disorders in eight groups: dental agenesis, supernumerary teeth, dental size and/or shape, enamel, dentin, dental eruption, periodontal and gingival, and tumor‐like anomalies. We aim the classification to act as a shared reference for clinical and epidemiological studies. We welcome critical evaluations of the definitions and classification and will regularly update the classification for newly recognized conditions.
Characterization of the Beckwith‐Wiedemann spectrum: Diagnosis and management
Authors: Duffy Kelly A. , Cielo Christopher M. , Cohen Jennifer L. , Gonzalez‐Gandolfi Christina X. , Griff Jessica R. , Hathaway Evan R. , Kupa Jonida , Taylor Jesse A. , Wang Kathleen H. , Ganguly Arupa , Deardorff Matthew A. , Kalish Jennifer M. 
Published: August 2019

AbstractBeckwith‐Wiedemann syndrome (BWS) is the most common epigenetic overgrowth and cancer predisposition disorder. Due to both varying molecular defects involving chromosome 11p15 and tissue mosaicism, patients can present with a variety of clinical features, leading to the newly defined Beckwith‐Wiedemann spectrum (BWSp). The BWSp can be further divided into three subsets of patients: those presenting with classic features, those presenting with isolated lateralized overgrowth (ILO) and those not fitting into the previous two categories, termed atypical BWSp. Previous reports of patients with BWS have focused on those with the more recognizable, classic features, and limited information is available on those who fit into the atypical and ILO categories. Here, we present the first cohort of patients recruited across the entire BWSp, describe clinical features and molecular diagnostic characteristics, and provide insight into practical diagnosis and management recommendations that we have gained from this cohort.
Asymmetric Photocatalysis by Intramolecular Hydrogen‐Atom Transfer in Photoexcited Catalyst–Substrate Complex
Authors: Zhang Chenhao , Chen Shuming , Ye Chen‐Xi , Harms Klaus , Zhang Lilu , Houk K. N. , Meggers Eric 
Published: August 2019

Abstract3‐(2‐Formylphenyl)‐1‐pyrazol‐1‐yl‐propenones undergo an asymmetric photorearrangement to benzo[d]cyclopropa[b]pyranones with up to >99 % ee, which is catalyzed by a bis‐cyclometalated rhodium catalyst in the presence of visible light. Mechanistic experiments and DFT calculations support a mechanism in which a photoexcited catalyst/substrate complex triggers an intramolecular hydrogen‐atom transfer followed by a highly stereocontrolled hetero‐Diels–Alder reaction. In this reaction scheme, the rhodium catalyst fulfills multiple functions by 1) enabling visible‐light π→π* excitation of the catalyst‐bound enone substrate, 2) facilitating the hydrogen‐atom transfer, and 3) providing the asymmetric induction for the hetero‐Diels–Alder reaction.
Interfacial Enhancement by γ‐Al2O3 of Electrochemical Oxidative Dehydrogenation of Ethane to Ethylene in Solid Oxide Electrolysis Cells
Authors: Song Yuefeng , Lin Le , Feng Weicheng , Zhang Xiaomin , Dong Qiao , Li Xiaobao , Lv Houfu , Liu Qingxue , Yang Fan , Liu Zhi , Wang Guoxiong , Bao Xinhe 
Published: August 2019

AbstractOxidative dehydrogenation of ethane (ODE) is limited by the facile deep oxidation and potential safety hazards. Now, electrochemical ODE reaction is incorporated into the anode of a solid oxide electrolysis cell, utilizing the oxygen species generated at anode to catalytically convert ethane. By infiltrating γ‐Al2O3 onto the surface of La0.6Sr0.4Co0.2Fe0.8O3‐δ‐Sm0.2Ce0.8O2‐δ (LSCF‐SDC) anode, the ethylene selectivity reaches as high as 92.5 %, while the highest ethane conversion is up to 29.1 % at 600 °C with optimized current and ethane flow rate. Density functional theory calculations and in situ X‐ray photoelectron spectroscopy characterizations reveal that the Al2O3/LSCF interfaces effectively reduce the amount of adsorbed oxygen species, leading to improved ethylene selectivity and stability, and that the formation of Al‐O‐Fe alters the electronic structure of interfacial Fe center with increased density of state around Fermi level and downshift of the empty band, which enhances ethane adsorption and conversion.
AIE Triggers the Circularly Polarized Luminescence of Atomically Precise Enantiomeric Copper(I) Alkynyl Clusters
Authors: Zhang Miao‐Miao , Dong Xi‐Yan , Wang Zhao‐Yang , Li Hai‐Yang , Li Shi‐Jun , Zhao Xueli , Zang Shuang‐Quan 
Published: August 2019

AbstractAtomically precise enantiomeric metal clusters are scarce, and copper(I) alkynyl clusters with intense circularly polarized luminescence (CPL) responses have not been reported. A pair of chiral alkynyl ligands, (R/S)‐2‐diphenyl‐2‐hydroxylmethylpyrrolidine‐1‐propyne (abbreviated asR/S‐DPM) we successfully prepared and single crystals were characterized of optically pure enantiomeric pair of atomically‐precise copper(I) clusters, [Cu14(R/S‐DPM)8](PF6)6(denoted asR/S‐Cu14), which feature bright red luminescence and CPL with a high luminescence anisotropy factor (glum). A dilute solution containingR/S‐Cu14was nonluminescent and CPL inactive at room temperature. Crystallization‐ and aggregation‐induced emission (CIE and AIE, respectively) contribute to the triggering of the CPL ofR/S‐Cu14in the crystalline and aggregated states. Their AIE behavior and good biocompatibility indicated applications of these copper(I) clusters in cell imaging in HeLa and NG108‐15 cells.
Crystalline Cooperativity of Donor and Acceptor Segments in Double‐Cable Conjugated Polymers toward Efficient Single‐Component Organic Solar Cells
Authors: Li Cheng , Wu Xianxin , Sui Xinyu , Wu Hongbo , Wang Chao , Feng Guitao , Wu Yonggang , Liu Feng , Liu Xinfeng , Tang Zheng , Li Weiwei 
Published: August 2019

AbstractThe crystalline cooperativity of the donor and acceptor segment in double‐cable conjugated polymers plays an important role in the nanophase separation and photovoltaic performance in single‐component organic solar cells (SCOSCs). Two double‐cable conjugated polymers with the same conjugated backbone and perylene bisimide (PBI) side units were designed in which PBIs were positioned symmetrically and perpendicularly (P1) and asymmetrically and slantingly (P2) along the conjugated backbones. After thermal annealing, both conjugated backbones and PBI side units in P1 tend to form ordered nanostructures, while PBI side units in P2 dominated the crystallization and hamper the crystallization of conjugated backbones. P1 showed good crystalline cooperativity between conjugated backbones and PBI side units, resulting in improved power conversion efficiencies (PCEs) up to 3.43 % in SCOSCs, while P2 with poor crystalline cooperativity exhibited PCEs below 2.42 %.
Evaluation of newly synthesized derivatives of bis(hydrazine‐1‐carbothioamide) and their metal complexes synthesized in bulk and nano size as potent anticancer agents
Authors: Taha Rania H. , Saleh Nashwa M. , Elhady Heba A. , Khodairy Manal M. 
Published: August 2019

A series of new metal complexes were synthesized in both bulk and nano size using green methods, starting with the reaction of (E)‐N′‐[(E)‐2‐bromobenzylidene]‐4‐oxo‐4‐(piperidin‐1‐yl)but‐2‐enehydrazide with thiosemicarbazide and different metal halides such as CuI·2H2O, CuCl2·2H2O, CoCl2·2H2O, and ZnCl2·2H2O, and metal nitrate such as Ga(NO3)3·2H2O. Structures of these metal complexes were confirmed using different spectroscopic methods, elemental analysis, electronic spectra, and microanalytical methods (scanning electron microscopy and transmission electron microscopy) for nano complexes. The distorted octahedral geometry for all complexes was suggested based on magnetic moments and electronic spectral studies. The cytotoxic activity of the compounds was investigated against human hepatocellular carcinoma (HepG2) and human colorectal carcinoma (HCT‐116) cell lines. Most tested compounds had higher inhibitory activity than the standard vinblastine drug. Interestingly, the nano‐sized Ga(III) complex 11 was the most potent compound against the two tested cell lines, with 50% inhibitory concentration (IC50) of 2.56 μg/mL for HepG2, compared with the reference drug vinblastine (IC50 15.6 μg/mL), and IC50 4.64 μg/mL for HCT‐116, compared with the standard (IC50 13.9 μg/mL). The bioassay results helped us identify new potent and selective anticancer agents.
Comparative Biological Activities Determination of Aqueous Extracts of Hempseed Oil and Hempseed Protein Isolate Production Coproducts
Authors: Dia Vermont P. , Wang Zhihong , Lin Yang , Pangloli Philipus 
Published: August 2019

AbstractIndustrial hempseed is an important agricultural crop with increasing potential for food applications. The objective of this study was to determine the different biological activities of hempseed coproducts after hempseed oil extraction and hempseed protein isolate precipitation. Hempseed oil was extracted by n‐hexane and the defatted meal was dried. The hempseed protein isolate was prepared by alkaline pH solubilization followed by isoelectric precipitation. Two coproducts were obtained by freeze drying the precipitate after alkaline solubilization and freeze drying the supernatant after isoelectric precipitation. The coproducts were called hempseed meal after protein isolation (HM‐PI) and hempseed supernatant after protein isolation (HS‐PI). The biological activities of HM‐PI and HS‐PI were determined by measuring their antioxidant properties, antiproliferative properties against two human colon cancer cell lines, and anti‐inflammatory activities in lipopolysaccharide‐induced RAW 264.7 macrophages. The results showed that HS‐PI has better biological activities than HM‐PI, which correlated positively with the concentrations of soluble proteins, soluble polyphenols, tannins, and flavonoids. Our results showed for the first time that coproducts of hempseed processing can be potential sources of food ingredients with health‐promoting properties.
Design of a new 3D‐printed joint plug
Authors: Tayebi Lobat , Cui Zhanfeng , Ye Hua 
Published: August 2019

AbstractThis paper introduces a kit of parts as a novel three‐dimensional (3D)–printed joint plug, in which each of the parts function cooperatively to treat cartilage damage in joints of the human body (e.g., hips, wrists, elbow, knee, and ankle). Three required and one optional parts are involved in this plug. The first part is a 3D‐printed hard scaffold (bone portion) to accommodate bone cells, and the second is a 3D‐printed soft scaffold (cartilage portion) overlying the bone portion to accommodate chondrocytes. The third part of joint plug is a permeable membrane, termed film, to cover the entire plug to provide coordinated sliding of the joint during the regeneration of the cartilage. Film is also responsible for retention of the chondrocytes while allowing nutrients to diffuse through the membrane. The plug may further include a fourth part, called barrier, which is a membrane to assist the bone portion in avoiding the loss of chondrocytes from the cartilage portion beyond the barrier. Various engagement means among the parts of the plug are assumed, which are discussed in this paper. Moreover, the detailed design criteria and selection of suitable materials for different parts are elaborated. The 3D‐printing practice allows the plug to be personalized and fabricated to fit the shape/size of the target joint and the injured section. Also discussed are the configuration options of the plug to be surgically implanted in a joint. Although the focus of this paper is on the design, a brief overview of a prototype is presented.
The effect of porosity on elastic moduli of polymer foams
Authors: Drozdov A. D. , de Claville Christiansen J. 
Published: August 2019

ABSTRACTConstitutive equations are reported for the effect of porosity on the elastic moduli and longitudinal sound speed of polymer foams. These relations are grounded on the asymptotic homogenization method combined with the integration embedding scheme. Observations are analyzed on open‐cell and closed‐cell porous polymers manufactured by (1) foaming with chemical blowing agents, (2) foaming with inert gases, and (3) emulsion‐templating foaming. Numerical analysis of experimental data shows that changes in the elastic moduli with porosity are correctly predicted by the governing relations for foams with spherical voids. Porous polydimethylsiloxane (PDMS) elastomers prepared by the emulsion‐templating method provide an exception from this rule. The difference between these materials and the other cellular polymers is caused by production of hydrogen gas under curing, which induces severe deformation of pores. Simulation reveals that experimental data on cellular PDMS elastomers are described by the differential equations for foams with spheroidal voids whose aspect ratio depends on porosity. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48449.
Vorgespannte Bauteile im konstruktiven Holzbau
Authors: Geßner Stephan , Spelter Arne , Walter Burkhard , Judt Peter , Hegger Josef 
Published: August 2019

AbstractDas Prinzip der Vorspannung wird im Stahlbetonbau häufig eingesetzt, um schlanke Tragkonstruktionen oder große Spannweiten zu ermöglichen. Im Rahmen eines Forschungsvorhabens wurde das Prinzip der Vorspannung auf den konstruktiven Holzbau angewendet und deren Einfluss auf Tragfähigkeit, baudynamisches Verhalten und Bauteilverformungen untersucht. Die Verankerung der Spannkräfte wurde mittels Betonverankerungskörper realisiert, die das Prinzip der Vorspannung mit sofortigem Verbund verwenden. Der Beitrag beschreibt die theoretischen Untersuchungen zur Bemessung von vorgespannten Brettstapeldecken, die experimentellen Untersuchungen zur Entwicklung der Betonverankerungskörper, Großversuche zur Untersuchung der Tragfähigkeit und des Dauerstandverhaltens von vorgespannten Holzbauteilen sowie baudynamische Untersuchungen. Die Untersuchungen zeigen, dass durch eine Vorspannung das Verformungsverhalten von Brettstapelelementen verbessert werden kann, während das statische und dynamische Tragverhalten durch die Vorspannung kaum beeinflusst wird.
Latest Advances on Bacterial Cellulose‐Based Materials for Wound Healing, Delivery Systems, and Tissue Engineering
Authors: Carvalho Tiago , Guedes Gabriela , Sousa Filipa L. , Freire Carmen S. R. , Santos Hélder A. 
Published: August 2019

AbstractBacterial cellulose (BC) is a nanocellulose form produced by some nonpathogenic bacteria. BC presents unique physical, chemical, and biological properties that make it a very versatile material and has found application in several fields, namely in food industry, cosmetics, and biomedicine. This review overviews the latest state‐of‐the‐art usage of BC on three important areas of the biomedical field, namely delivery systems, wound dressing and healing materials, and tissue engineering for regenerative medicine. BC will be reviewed as a promising biopolymer for the design and development of innovative materials for the mentioned applications. Overall, BC is shown to be an effective and versatile carrier for delivery systems, a safe and multicustomizable patch or graft for wound dressing and healing applications, and a material that can be further tuned to better adjust for each tissue engineering application, by using different methods.
Development of a 3D Tissue‐Engineered Skeletal Muscle and Bone Co‐culture System
Authors: Wragg Nicholas M. , Mosqueira Diogo , Blokpeol‐Ferreras Lia , Capel Andrew , Player Darren J. , Martin Neil R. W. , Liu Yang , Lewis Mark P. 
Published: August 2019

AbstractIn vitro 3D tissue‐engineered (TE) structures have been shown to better represent in vivo tissue morphology and biochemical pathways than monolayer culture, and are less ethically questionable than animal models. However, to create systems with even greater relevance, multiple integrated tissue systems should be recreated in vitro. In the present study, the effects and conditions most suitable for the co‐culture of TE skeletal muscle and bone are investigated. High‐glucose Dulbecco's modified Eagle medium (HG‐DMEM) supplemented with 20% fetal bovine serum followed by HG‐DMEM with 2% horse serum is found to enable proliferation of both C2C12 muscle precursor cells and TE85 human osteosarcoma cells, fusion of C2C12s into myotubes, as well as an upregulation of RUNX2/CBFa1 in TE85s. Myotube formation is also evident within indirect contact monolayer cultures. Finally, in 3D co‐cultures, TE85 collagen/hydroxyapatite constructs have significantly greater expression of RUNX2/CBFa1 and osteocalcin/BGLAP in the presence of collagen‐based C2C12 skeletal muscle constructs; however, fusion within these constructs appears reduced. This work demonstrates the first report of the simultaneous co‐culture and differentiation of 3D TE skeletal muscle and bone, and represents a significant step toward a full in vitro 3D musculoskeletal junction model.
Comprehensive structural modeling and preparation of human 5‐HT2A G‐protein coupled receptor in functionally active form
Authors: Mozumder Sukanya , Bej Aritra , Srinivasan Krishnamoorthi , Mukherjee Sujoy , Sengupta Jayati 
Published: August 2019

AbstractThe serotonin 2A receptor (5‐HT2AR) is an important member of the G‐protein coupled receptor (GPCR) family involved in an array of neuromodulatory functions. Although the high‐resolution structures of truncated versions of GPCRs, captured in ligand‐bound conformational states, are available, the structures lack several functional regions, which have crucial roles in receptor response. Here, in order to understand the structure and dynamics of the ligand‐free form of the receptor, we have performed meticulous modeling of the 5‐HT2AR with the third intracellular loop (ICL3). Our analyses revealed that the ligand‐free ground state structure of 5‐HT2AR has marked distinction with ligand‐bound conformations of 5‐HT2 subfamily proteins and exhibits extensive backbone flexibility across the loop regions, suggesting the importance of purifying the receptor in its native form for further studies. Hence, we have standardized a strategy that efficiently increases the expression of 5‐HT2AR by infecting Sf9 cells with a very low multiplicity of infection of baculovirus in conjunction with production boost additive and subsequently, purify the full‐length receptor. Furthermore, we have optimized the selective over‐expression of glycosylated and nonglycosylated forms of the receptor merely by switching the postinfection growth time, a method that has not been reported earlier.