bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Metastable Crystalline Phase in Two‐Dimensional Metallic Oxide Nanoplates
Authors: Liu Cong , Zheng Lirong , Song Qian , Xue Zhenjie , Huang Chuanhui , Liu Lu , Qiao Xuezhi , Li Xiao , Liu Keyan , Wang Tie 
Published: December 2018

AbstractA simple method was adopted in which ultrathin cerium oxide nanoplates (<1.4 nm) were synthesized to increase the surface atomic content, allowing transformation from a face‐centered cubic (fcc) phase to a body‐centered tetragonal (bct) phase. Three types of cerium oxide nanoparticles of different thicknesses (1.2 nm ultrathin nanoplates, 2.2 nm nanoplates, and 5.4 nm nanocubes) were examined using transmission electron microscopy and X‐ray diffraction. The metastable bct phase was observed only in ultrathin nanoplates. Thermodynamic energy analysis confirmed that the surface energy of the ultrathin nanoplates is the cause of the remarkable stabilization of the metastable bct phase. The mechanism of surface energy regulation can be expanded to other metallic oxides, thus providing a new means for manipulating and stabilizing novel materials under ambient conditions that otherwise would not be recovered.
The Color of the Elements: A Combined Experimental and Theoretical Electron Density Study of ScB2C2
Authors: Haas Christof D. , Fischer Andreas , Hauf Christoph , Wieser Christian , Schmidt Andreas P. , Eickerling Georg , Scheidt Ernst‐Wilhelm , Schiffmann Jan G. , Reckeweg Olaf , DiSalvo Francis J. , Rodewald Ute C. , Pöttgen Rainer , van Wüllen Leo , Scherer Wolfgang 
Published: December 2018

AbstractThe chemical or physical control parameters for the onset of superconductivity in MB2C2 hetero‐graphene materials are unclear. This is mainly due to the almost ubiquitous positional B/C disorder, rendering the description of real structures of borocarbides into one of the most challenging problems in materials science. We will show that high‐resolution X‐ray diffraction data provides all the essential information to decode even complex coloring problems due to B/C disorder. Electron density studies and subsequent analyses of the fine structure of the Laplacian of the electron density resolves the local electronic structure of ScB2C2 at sub‐atomic resolution and allows for an unequivocal identification of all atoms involved in the coloring scenario. This information could finally be used to identify the electron deficient character of the B/C layers in ScB2C2 and to synthesize the first bimetallic hetero‐metallocene with lithium and scandium atoms embedded in the pentagonal and heptagonal voids, respectively.
Kinetic Resolution of Tertiary Propargylic Alcohols by Enantioselective Cu−H‐Catalyzed Si−O Coupling
Authors: Seliger Jan , Dong Xichang , Oestreich Martin 
Published: December 2018

AbstractA broad range of tertiary propargylic alcohols were kinetically resolved by catalyst‐controlled enantioselective silylation. This non‐enzymatic kinetic resolution is catalyzed by a Cu−H species and makes use of the commercially available precatalyst MesCu/(R,R)‐Ph‐BPE and a simple hydrosilane as the resolving reagent. Both alkyl,aryl‐ as well as dialkyl‐substituted propargylic alcohols participate, and especially high selectivity factors are achieved when the alkyne terminus carries a TIPS group, which also enables facile post‐functionalization in this position (s up to 207).
Simultaneous reduction and surface functionalization of graphene oxide and the application for rubber composites
Authors: Wang Jian , Zhang Kaiye , Hao Shuai , Xia Hesheng , Lavorgna Marino 
Published: December 2018

ABSTRACTThe simultaneous reduction and functionalization of graphene oxide (GO) was realized through a chemical grafting reaction with a functionalization agentN,N‐bis(3‐aminopropyl)methylamine (APMEL). The reduced and functionalized reduced GO (rGO‐APMEL) sheets can be well dispersed in water without any added surfactant and the formed stable rGO aqueous dispersion can be kept for a long time, which can be used for the preparation of rubber–graphene (GE) composites by latex mixing. The electrostatic interaction between rGO–APMEL (positively charged) and natural rubber latex particles (negatively charged) leads to the formation of NR/rGO–APMEL composites with strong interaction. Compared with blank NR, the tensile strength and modulus for NR/rGO–APMEL increase with the rGO–APMEL loading. Especially, when the filler content is 5 phr, the tensile strength of NR/rGO–APMEL‐5 increases by 32.7%, as a control the tensile strength of NR/GO‐5 and NR/rGO‐5 decrease by 20.1 and 15.6%, respectively. The entanglement‐bound rubber tube model was used to analyze the reinforcing effect of GE on NR/rGO–APMEL nanocomposites at a molecular level. This study may provide us a novel approach to prepare well dispersed and exfoliated rGO–polymer nanocomposites. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2019,136, 47375.
Differential responses between a vector species Bemisia tabaci and a nonvector species Trialeurodes vaporariorum following ingestion of tomato yellow leaf curl virus
Authors: Jhan Pijush Kanti , Shim Jae‐Kyoung , Lee Sukchan , Lee Kyeong‐Yeoll 
Published: December 2018

AbstractIn transmitting plant viruses, insect vectors undergo physiological and behavioral alterations. The whitefly Bemisia tabaci is a vector of tomato yellow leaf curl virus (TYLCV), causing severe damages to various horticultural crop plants. To determine whether whitefly alteration is specific to vector species, the responses to TYLCV ingestion were compared between
B. tabaci and
Trialeurodes vaporariorum, a nonvector for TYLCV. The two species were reared on TYLCV‐infected and noninfected tomato, a host of TYLCV, and their longevity and fecundity were determined while rearing in either tomato or eggplant, a nonhost of TYLCV. TYLCV‐ingested
B. tabaci increased their developmental rates but reduced fecundity when they were reared in either tomato or eggplant compared with those of TYLCV‐free ones. In contrast, TYLCV‐ingested
T. vaporariorum did not show any of the aforementioned changes when reared on both plant species. In addition, TYLCV‐ingested
B. tabaci increased their levels of three heat shock protein genes (
hsp20,
hsp70, and
hsp90) against thermal stress, whereas TYLCV‐ingested
T. vaporariorum did not. The presence of TYLCV virions was identified in two colonies of both species via polymerase chain reaction analysis. TYLCV was detected in the whole body, saliva, and eggs of
B. tabaci, while TYLCV was detected only in the whole body but not in the saliva and eggs of
T. vaporariorum. The present results strongly indicated that TYLCV specifically manipulate physiological processes of the vector species,
B. tabaci.
Estimation of stability region for discrete‐time linear positive switched systems with multiple equilibrium points
Authors: Liu Zhi , Zhang Xianfu , Li Haitao 
Published: December 2018

AbstractThis paper investigates the regional stability for discrete‐time linear positive switched systems with multiple equilibrium points (PSS‐MEP). Every subsystem possesses a unique stable equilibrium point. Firstly, by establishing a special Lyapunov function, a sufficient condition for region stability of considered systems is presented. Although, estimating the stability region for n‐dimensional PSS‐MEP with l ≥ 3 subsystems is still a challenging work, we study the one and two dimensional PSS‐MEP, and the corresponding accurate stability regions are given in our main job. Finally, a simulation example is presented to demonstrate the correctness of the theoretical results.
Adaption and validation of the Mississippi Aphasia Screening Test to Estonian speakers with aphasia
Authors: Nursi Aaro , Padrik Marika , Nursi Liisa , Pähkel Maarja , Virkunen Liis , Küttim‐Rips Anne , Taba Pille 
Published: December 2018

AbstractObjectivesThe Mississippi Aphasia Screening Test (MAST) is a brief screening tool for assessing the expressive and receptive language abilities of patients with aphasia. The goal of this study was to adapt and validate the MAST into the Estonian language. The discriminant validity and internal consistency of the test were examined, as well as its sensitivity and specificity.MethodsThe MASTest was administered in 50 left hemisphere stroke patients with aphasia (LHA+ group) in the acute phase after the stroke and 126 healthy volunteers in a control group (CG), stratified by age and level of education. Nonparametric tests were used to get normative values, compare the values of the MASTest scores between the LHA+ group and the CG, and to assess the discriminant validity, internal consistency, sensitivity, and specificity of the MASTest.ResultsThe summary scores: total score (MASTest‐T), expressive score (MASTest‐E), and receptive score (MASTest‐R) correlated with age and educational level, and the normative values were adjusted accordingly. The LHA+ group showed more impairment than the CG in all subtests and summary scores. The internal reliability of the MASTest was high for the whole sample and LHA+ group. The sensitivity and specificity of the MASTest using the 5th percentile were 74% and 94%, respectively, but using receiver operating characteristic (ROC) analysis, it was 89% and 80%.ConclusionThe MASTest is a valid screening tool for evaluating expressive and receptive language abilities in Estonian patients with aphasia in early stroke. The MASTest is the first validated aphasia screening test for Estonian‐speaking people, who number less than one million worldwide.
Mammalian‐Cell‐Driven Polymerisation of Pyrrole
Authors: Sherman Harry G. , Hicks Jacqueline M. , Jain Akhil , Titman Jeremy J. , Alexander Cameron , Stolnik Snow , Rawson Frankie J. 
Published: December 2018

AbstractA model cancer cell line was used to initiate polymerisation of pyrrole to form the conducting material polypyrrole. The polymerisation was shown to occur through the action of cytosolic exudates rather than that of the membrane redox sites that normally control the oxidation state of iron as ferricyanide or ferrocyanide. The data demonstrate for the first time that mammalian cells can be used to initiate synthesis of conducting polymers and suggest a possible route to detection of cell damage and/or transcellular processes through in situ and amplifiable signal generation.
Rehabilitation of a patient with amelogenesis imperfecta and severe open bite: A multidisciplinary approach
Authors: Arshad Mahnaz , Shirani Gholamreza , Mahgoli Hossein‐Ali , Vaziri Nastaran 
Published: December 2018

Key Clinical MessageAmelogenesis imperfecta (AI) is typically associated with anterior open bite and a number of other dental problems, which require complex treatments such as orthognathic surgery. This case report describes management of a patient with AI and severe open bite via a multidisciplinary approach.
Dehydrogenative Anodic Cyanation Reaction of Phenols in Benzylic Positions
Authors: Röckl Johannes L. , Imada Yasushi , Chiba Kazuhiro , Franke Robert , Waldvogel Siegfried R. 
Published: December 2018

AbstractThe selective dehydrogenative electrochemical activation of benzylic positions by 1,1,1,3,3,3‐hexafluoropropan‐2‐ol (HFIP) and subsequent cyanation is presented for the first time. Herein, we report a sustainable, scalable, and metal‐free dehydrogenative benzylic cyanation protocol. Valuable 2‐phenylacetonitrile derivatives are accessible in the presence of a cyanide source and an electrolytically‐derived HFIP ether. The direct application of electricity enables a safe and environmentally benign chemical transformation, since oxidizers are replaced by electricity.
Asymmetric Synthesis of Cα‐Substituted Prolines through Curtin–Hammett‐Controlled Diastereoselective N‐Alkylation
Authors: Cho Hyunkyung , Jeon Hongjun , Shin Jae Eui , Lee Seokwoo , Park Soojun , Kim Sanghee 
Published: December 2018

AbstractAsymmetric synthesis of α‐substituted proline derivatives has been accomplished by an efficient chirality‐transfer method. High diastereoselectivity of the N‐alkylation of the proline ester (C→N chirality transfer) was achieved when a 2,3‐disubstituted benzyl group was used as the N‐substituent. DFT calculations provided a mechanistic rationale for the high degree of stereoselectivity. The generated N‐chirality of the quaternary ammonium salt was transferred back to the α‐carbon through a stereoselective [2,3]‐Stevens rearrangement (N→C chirality transfer) to give α‐substituted proline ester.
One‐Electron Reduction of 2‐Mono(2,6‐diisopropylphenylimino)acenaphthene‐1‐one (dpp‐mian)
Authors: Lukoyanov Anton N. , Ulivanova Elena A. , Razborov Danila A. , Khrizanforova Vera V. , Budnikova Yulia H. , Makarov Sergey G. , Rumyantcev Roman V. , Ketkov Sergey Y. , Fedushkin Igor L. 
Published: December 2018

AbstractThe electrochemical characteristics of 2‐mono(2,6‐diisopropylphenylimino)acenaphthene‐1‐one (dpp‐mian) have been investigated. One‐electron reduction of dpp‐mian involves the iminoketone fragment, which is revealed by the EPR spectrum obtained after the electrolysis of the dpp‐mian solution in tetrahydrofuran (THF). The reduction of dpp‐mian with one equivalent of metallic potassium leads to a similar EPR spectrum. The sodium complex [(dpp‐mian)Na(dme)]2 (1) produces an EPR signal with hyperfine coupling on the nitrogen atom of the iminoketone fragment of the dpp‐mian ligand. Dpp‐mian can also be reduced in a one‐electron process by SnCl2×(dioxane). In this case, complex (dpp‐mian)2SnCl2 (2) is formed, with the tin atom displaying an oxidation state of +4. Tin(II) chloride dihydrate, SnCl2×2(H2O), also reduces dpp‐mian, but the two ligands bound to tin in the product form a new carbon–carbon bond between the ketone moieties of the dpp‐mian monoanions to form complex (bis‐dpp‐mian)HSnCl3 (3). Metallic tin reduces dpp‐mian to form the (bis‐dpp‐mian)2Sn (4) species. Compounds 1–4 were characterized by X‐ray diffraction.
ABC–ABC‐Type Directly meso–meso Linked Porphyrin Dimers
Authors: Higashino Tomohiro , Kurumisawa Yuma , Iiyama Hitomi , Imahori Hiroshi 
Published: December 2018

AbstractInvited for the cover of this issue is the group of Hiroshi Imahori at Kyoto University. The image depicts an artistic representation of the evolution from porphyrin monomers to a porphyrin dimer. Read the full text of the article at 10.1002/chem.201805405.
Elagolix Pharmacokinetic Profiles in Women With Renal or Hepatic Impairment
Authors: Ng Juki , Duan W. Rachel , Marbury Thomas , Schmidt Jeffrey M. , Klein Cheri E. 
Published: December 2018

AbstractThe aim of these studies was to assess the safety and pharmacokinetics of elagolix, an oral nonpeptide gonadotropin‐releasing hormone antagonist following oral administration in women with renal or hepatic impairment. Two phase 1 studies were conducted in adult women with normal renal function versus renal impairment (reduced study), and normal hepatic function versus hepatic impairment (full study design). All women received a single dose of elagolix 200 mg (renal) or 150 mg (hepatic). Intensive pharmacokinetic blood samples were collected. Elagolix exposures were comparable in women with normal renal function and those with moderate/severe renal impairment or end‐stage renal disease. Elagolix exposures also appeared to be similar in women with normal hepatic function and women with mild hepatic impairment. Elagolix area under the curve in women with moderate hepatic impairment and with severe hepatic impairment was approximately 3‐fold and 7‐fold higher than in women with normal hepatic function. The adverse event incidence was low, with the main events being mild nausea and headache. No dosage adjustment was needed in women with renal impairment or women with mild hepatic impairment. Although an elagolix dose of 150 mg once daily may be used in women with moderate hepatic impairment for up to 6 months, this elagolix dose should not be used in women with severe hepatic impairment.
The Effect of a High‐Fat Meal on the Pharmacokinetics of Brigatinib, an Oral Anaplastic Lymphoma Kinase Inhibitor, in Healthy Volunteers
Authors: Tugnait Meera , Gupta Neeraj , Hanley Michael J. , Venkatakrishnan Karthik , Sonnichsen Daryl , Kerstein David , Dorer David J. , Narasimhan Narayana 
Published: December 2018

AbstractBrigatinib, a next‐generation anaplastic lymphoma kinase (ALK) inhibitor, received accelerated approval in the United States for the treatment of patients with metastatic ALK+ non–small‐cell lung cancer who have progressed on or are intolerant to crizotinib. A clinical study was conducted to assess the effect of food on brigatinib pharmacokinetics (PK). Healthy subjects received a single oral dose of brigatinib 180 mg (2 × 90‐mg tablets) after a 10‐hour fast or after a high‐fat meal in a 2‐period, 2‐sequence crossover study. Plasma samples for PK characterization were collected over 168 hours postdose. Twenty‐four subjects were enrolled (mean age 44 years; 58% male), with 21 included in the PK‐evaluable population. Brigatinib peak concentration was reduced by 13% under fed (high‐fat meal) versus fasted conditions, with no effect on area under the concentration‐time curve. The median time to peak concentration of brigatinib was longer under fed conditions (5 hours) than in fasted conditions (2 hours). Treatment‐emergent adverse events were similar under fasted (48%) and fed (46%) conditions and were of mild intensity. Consumption of a high‐fat meal decreased the rate of brigatinib oral absorption but had no impact on the extent of absorption, thereby supporting brigatinib administration without regard to meals. These recommendations are reflected in the US prescribing information for brigatinib.
Long‐Range Lateral Correlation between Self‐Assembled Domains of Fluorocarbon‐Hydrocarbon Tetrablocks by Quantitative GISAXS
Authors: Abuillan Wasim , Veschgini Mariam , Mielke Salomé , Yamamoto Akihisa , Liu Xianhe , Konovalov Oleg , Krafft Marie Pierre , Tanaka Motomu 
Published: December 2018

AbstractThe structure and lateral correlation of fluorocarbon‐hydrocarbon tetrablock di(F10Hm) domains at the air/water interface have been determined by quantitative analysis of grazing incidence small‐angle X‐ray scattering (GISAXS) data. The measured GISAXS signals can be well represented by the full calculation of the form and structure factors. The form factor suggests that di(F10Hm) domains take a hemiellipsoid shape. Both major and minor axes of the hemiellipsoids monotonically increased in response to the elongation of the hydrocarbon blocks, which can be explained by the concominant increase in van der Waals interaction. The structure factor calculated from the GISAXS signals suggests that the domains take an orthorhombic lattice. Remarkably, the lateral correlation can reach over a distance that is more than 14 times longer than the distance to the nearest neighbors. Our data suggest that quantitative GISAXS enables the optimal design of mesoscopic self‐assemblies at the air/water interface by fine‐tuning of the structures of molecular building blocks.
Three‐dimensional position of impacted maxillary canines: Prevalence, associated pathology and introduction to a new classification system
Authors: Grisar Koenraad , Piccart Frederik , Al‐Rimawi Ali S. , Basso Isabela , Politis Constantinus , Jacobs Reinhilde 
Published: December 2018

AbstractClassification of impacted maxillary canines facilitates interdisciplinary communication. Cone beam computed tomography (CBCT) has proven to be superior for the localization of impacted maxillary canines compared with 2D imaging. The purpose of this study was to retrospectively classify a cohort of impacted maxillary canines, using a new developed 3D classification for impacted maxillary canines that is easy to use and does not require complex analysis of the 3D images. A retrospective cohort study was designed, containing CBCT data of 130 patients (male/female: 48/82; median age 16) with a total of 162 impacted maxillary canines. The proposed classification was based on four criteria: vertical crown position, mesiodistal tooth postion, bucco‐lingual crown position, and associated pathology. For all included patients, classification criteria were identified and correlated to treatment selection using a newly developed 3D classification. The most common positions were vertical crown position at apical one third of neighboring teeth, mesiodistal tooth angulation, and palatal crown position. The most frequent associated pathologies were dilaceration of the root and resorption of a neighboring tooth. Significant associations among classification variables and treatment options were observed. Limitations of this study are the retrospective design. CBCT enabled 3D assessment of impacted maxillary canines allowing a classification system that may have an impact on further treatment strategies.
Design, synthesis, and biological evaluation of 1,8‐naphthyridine glucosamine conjugates as antimicrobial agents
Authors: Mohammed Aya A. M. , Suaifan Ghadeer A. R. Y. , Shehadeh Mayadah B. , Okechukwu Patrick N. 
Published: December 2018

AbstractIn the quest for discovering potent antimicrobial agents with lower toxicity, we envisioned the design and synthesis of nalidixic acid‐D‐(+)‐glucosamine conjugates. The novel compounds were synthesized and evaluated for their in vitro antimicrobial activity against Gram positive bacteria, Gram negative bacteria and fungi. Cytotoxicity using MTT assay over L6 skeletal myoblast cell line, ATCC CRL‐1458 was carried out. In vitro antimicrobial assay revealed that 1‐ethyl‐7‐methyl‐4‐oxo‐N‐(1,3,4,6‐tetra‐O‐acetyl‐2‐deoxy‐D‐glucopyranose‐2‐yl)‐[1,8]‐naphthyridine‐3‐carboxamide (5) and 1‐ethyl‐7‐methyl‐4‐oxo‐N‐(2‐deoxy‐D‐glucopyranose‐2‐yl)‐[1,8]‐naphthyridine‐3‐carboxamide(6) possess growth inhibitory activity against resistant Escherichia coli NCTC, 11954 (MIC 0.1589 mM) and Methicillin resistant Staphylococcus aureus ATCC, 33591 (MIC 0.1589 mM). Compound (5) was more active against Listeria monocytogenes ATCC 19115 (MIC 0.1113 mM) in comparison with the reference nalidixic acid (MIC 1.0765 mM). Interestingly, compound (6) had potential antifungal activity against Candida albicans ATCC 10231 (MIC <0.0099 mM). Remarkably, the tested compounds had low cytotoxic effect. This study indicated that glucosamine moiety inclusion into the chemical structure of the marketed nalidixic acid enhances antimicrobial activity and safety.