bluuebunny/crossref_metadata_2025_split huggingface dataset:
Childhood trauma and negative memory bias as shared risk factors for psychopathology and comorbidity in a naturalistic psychiatric patient sample
Authors: Vrijsen Janna N. , van Amen Camiel T. , Koekkoek Bauke , van Oostrom Iris , Schene Aart H. , Tendolkar Indira 
Published: May 2017

AbstractBackgroundBoth childhood trauma and negative memory bias are associated with the onset and severity level of several psychiatric disorders, such as depression and anxiety disorders. Studies on these risk factors, however, generally use homogeneous noncomorbid samples. Hence, studies in naturalistic psychiatric samples are lacking. Moreover, we know little about the quantitative relationship between the frequency of traumatic childhood events, strength of memory bias and number of comorbid psychiatric disorders; the latter being an index of severity. The current study examined the association of childhood trauma and negative memory bias with psychopathology in a large naturalistic psychiatric patient sample.MethodsFrequency of traumatic childhood events (emotional neglect, psychological‐, physical‐ and sexual abuse) was assessed using a questionnaire in a sample of 252 adult psychiatric patients with no psychotic or bipolar‐I disorder and no cognitive disorder as main diagnosis. Patients were diagnosed for DSM‐IV Axis‐I and Axis‐II disorders using a structured clinical interview. This allowed for the assessment of comorbidity between disorders. Negative memory bias for verbal stimuli was measured using a computer task.ResultsLinear regression models revealed that the frequency of childhood trauma as well as negative memory bias was positively associated with psychiatric comorbidity, separately and above and beyond each other (all p < .01).ConclusionsThe results indicate that childhood trauma and negative memory bias may be of importance for a broader spectrum of psychiatric diagnoses, besides the frequently studied affective disorders. Importantly, frequently experiencing traumatic events during childhood increases the risk of comorbid psychiatric disorders.
The innovative development in interferon beta treatments of relapsing‐remitting multiple sclerosis
Authors: Madsen Claus 
Published: May 2017

AbstractThe introduction of interferon beta therapies more than 20 years ago marked a milestone in the treatment of relapsing‐remitting multiple sclerosis (RRMS) with a significant impact on the approach to modern multiple sclerosis (MS) care. Key learnings and perspectives from the early days of disease modifying therapies in MS have improved the knowledge base of MS, need for treatment, and patient care. The continuous development of interferons over the past two decades outlines a journey with increased understanding of the pharmacodynamics and pharmacokinetic mechanisms of interferons, leading to innovative formulations with an improved benefit/risk profile.
YY1 directly suppresses MYCT1 leading to laryngeal tumorigenesis and progress
Authors: Qu Si‐Yao , Sun Yuan‐Yuan , Li Yun‐Hui , Xu Zhen‐Ming , Fu Wei‐Neng 
Published: May 2017

AbstractYY1 is a key transcription factor and plays different roles in various cancers. However, role and mechanism of YY1 in laryngeal cancer are still unknown. YY1 and MYCT1 mRNA and protein levels were detected by Real‐time RT‐PCR and Western Blot methods, respectively. Binding of YY1 to MYCT1 promoter was predicted and confirmed by bioinformatics and chromatin immunoprecipitation assays, respectively. MYCT1 promoter activity was assessed by dual luciferase assay system. Laryngeal cancer cell proliferation, migration, and apoptosis were evaluated by cell viability, colony formation, cell scratch assay, transwell assay, and flow cytometry methods, respectively. YY1 and MYCT1 were upregulated and downregulated at transcriptional level in laryngeal cancer, respectively, which showed a negative correlation between YY1 and MYCT1 expression in laryngeal cancer. Significantly higher expression of YY1 and lower expression of MYCT1 were found in laryngeal cancer tissues of patients with lymphatic metastasis than those without metastasis.YY1 directly bound to MYCT1 promoter region and inhibited its promoter activity. YY1 silence had similar biological functions as MYCT1 overexpression in repressiveness of proliferation and migration, and promotion of apoptosis in laryngeal cancer cells. However, the effects of YY1 silence were recovered by MYCT1 knockdown. YY1 promotes proliferation and migration with suppression of apoptosis via directly inhibiting MYCT1 in laryngeal cancer cells, suggesting that YY1 is a useful target as a potential oncogene in laryngeal cancer development and progression.
Selective Fe Promotion on Au Nanoparticles: An Efficient Way to Activate Au/SiO2 Catalysts for the CO Oxidation Reaction
Authors: Wu Chunzheng , Bertoni Giovanni , Marras Sergio , Manna Liberato , Colombo Massimo 
Published: May 2017

AbstractThe fabrication of the metal–metal oxide interface for the design and preparation of heterogeneous catalysts has been widely considered. In this work, a simple, aqueous‐phase Fe promotion strategy was studied on an inactive Au/SiO2 model catalyst to generate an active Au–FeOx interface for the CO oxidation. We found that the addition of either Fe2+ or Fe3+ led to significantly higher activity if the Au NPs were already deposited on the SiO2 compared to a prepromotion of the bare support. Combining X‐ray diffraction, elemental analysis, transmission electron microscopy and energy dispersive X‐ray spectroscopy characterizations with the CO oxidation tests, we proved that the postpromotion strategy could more efficiently fabricate the Au‐Fe interface, which after a proper thermal pretreatment could transform to the catalytically active Au–FeOx interface. The formation of such Au–Fe species interface was ascribed to the selective accumulation of the Fe3+ hydrolysis products on the Au nanoparticles (NPs), driven both by a heterogeneous nucleation/growth mechanism and a direct electrostatic adsorption mechanism.
Ruthenium‐Catalyzed C−H Bond Alkylation of Arylphosphine Oxides with Alkenes: A Straightforward Access to Bifunctional Phosphorous Ligands with a Pendent Carboxylate
Authors: Wang Chang‐Sheng , Dixneuf Pierre H. , Soulé Jean‐François 
Published: May 2017

AbstractAn efficient approach for the fast modification of arylphosphine oxides involving ruthenium(II)‐catalyzed C−H bond alkylation with functional alkenes versus alkenylation has been developed depending on the acidic reaction conditions. Using this methodology, a few examples of desymmetrization of diarylphosphine oxides has allowed the formation of phosphorus derivatives containing three different substituents. After reduction of the phosphine oxide, this method allows the formation of aryl phosphines bearing a flexible pendent carboxylate.
Hierarchical Nickel Cobaltate/Manganese Dioxide Core‐Shell Nanowire Arrays on Graphene‐Decorated Nickel Foam for High‐Performance Supercapacitors
Authors: Chen Hao , Hsieh Chien‐Kuo , Yang Yue , Liu Xiao Ying , Lin Che‐Hsien , Tsai Chuen‐Horng , Wen Zhong Quan , Dong Fan , Zhang Yu Xin 
Published: May 2017

AbstractHierarchical NiCo2O4@MnO2 core‐shell nanowire arrays have been synthesized on graphene‐nickel foam as binder‐free electrodes. The thickness of MnO2 nanosheets can be controlled by different hydrothermal reaction times, and a whole array of unique NiCo2O4@MnO2 nanostructures have been synthesized and investigated successfully for supercapacitor applications. The graphene deposited on nickel foam can enhance the electrical conductivity of electrode materials and strengthen corrosion resistance of the current collector. As a result, NiCo2O4@MnO2 core‐shell arrays electrode exhibits an ultra‐high specific capacitance of 2125 F g−1 at a current density of 1 A g−1, outstanding cycling stability (93.4 % of its initial value after 5000 cycles) and good rate performance. In addition, an asymmetric supercapacitor based on NiCo2O4@MnO2 as the positive electrode and activated graphene (AG) as the negative electrode achieves an energy density of 27.8 Wh kg−1 at a power density of 400.3 W Kg−1. These notable findings suggest that the unique NiCo2O4@MnO2 core‐shell nanostructure on graphene‐nickel foam is a potential candidate for application as a high‐performance supercapacitor electrode.
Photoelectrochemical Catalysis toward Selective Anaerobic Oxidation of Alcohols
Authors: Zhang Ruikang , Shao Mingfei , Li Zhenhua , Ning Fanyu , Wei Min , Evans David G. , Duan Xue 
Published: May 2017

AbstractSelective oxidation of alcohols to aldehydes plays an important role in perfumery, pharmaceuticals, and agrochemicals industry. Different from traditional catalysis or photocatalytic process, here we report an effective photoelectrochemical (PEC) approach for selective anaerobic oxidation of alcohols accompanied with H2 production by means of solar energy. By using TiO2 nanowires modified with graphitic carbon layer as photoanode, benzyl alcohol (BA) has been oxidized to benzaldehyde with high efficiency and selectivity (>99 %) in aqueous media at room temperature, superior to individual electrocatalytic or photocatalytic processes. Moreover, this PEC synthesis method can be effectively extended to the oxidation of several other aryl alcohols to their corresponding aldehydes under mild conditions. The electron spin resonance (ESR) results indicate the formation of intermediate active oxygen (O2.−) on the photoanode, which further reacts with alcohols to produce final aldehyde compounds.
Modulation of Bambusuril Anion Affinity in Water
Authors: Havel Vaclav , Babiak Michal , Sindelar Vladimir 
Published: May 2017

AbstractNeutral and negatively charged anion receptors functioning in pure water are rare in supramolecular chemistry. Moreover, studies on adjusting the affinity of such receptors toward anions in water are absent from the literature. Two new bambusurils, 1 a and 2 a, were prepared to demonstrate that the affinity of bambusurils towards anions can be altered by the length of carboxyalkyl groups attached to the macrocycles. The stability of the bambusuril complexes was further controlled by the pH value. The crystal structure of bambusuril 1 a was described, in which two carboxyalkyl arms fold into the macrocycle cavity, thus forming the intramolecular self‐inclusion complex.
A Specific and Covalent JNK‐1 Ligand Selected from an Encoded Self‐Assembling Chemical Library
Authors: Zimmermann Gunther , Rieder Ulrike , Bajic Davor , Vanetti Sara , Chaikuad Apirat , Knapp Stefan , Scheuermann Jörg , Mattarella Martin , Neri Dario 
Published: May 2017

AbstractWe describe the construction of a DNA‐encoded chemical library comprising 148 135 members, generated through the self‐assembly of two sub‐libraries, containing 265 and 559 members, respectively. The library was designed to contain building blocks potentially capable of forming covalent interactions with target proteins. Selections performed with JNK1, a kinase containing a conserved cysteine residue close to the ATP binding site, revealed the preferential enrichment of a 2‐phenoxynicotinic acid moiety (building block A82) and a 4‐(3,4‐difluorophenyl)‐4‐oxobut‐2‐enoic acid moiety (building block B272). When the two compounds were joined by a short PEG linker, the resulting bidentate binder (A82‐L‐B272) was able to covalently modify JNK1 in the presence of a large molar excess of glutathione (0.5 mm), used to simulate intracellular reducing conditions. By contrast, derivatives of the individual building blocks were not able to covalently modify JNK1 in the same experimental conditions. The A82‐L‐B272 ligand was selective over related kinases (BTK and GAK), which also contain targetable cysteine residues in the vicinity of the active site.
Hydrogen‐Bond Strength of CC and GG Pairs Determined by Steric Repulsion: Electrostatics and Charge Transfer Overruled
Authors: van der Lubbe Stephanie C. C. , Fonseca Guerra Célia 
Published: May 2017

AbstractTheoretical and experimental studies have elucidated the bonding mechanism in hydrogen bonds as an electrostatic interaction, which also exhibits considerable stabilization by charge transfer, polarization, and dispersion interactions. Therefore, these components have been used to rationalize the differences in strength of hydrogen‐bonded systems. A completely new viewpoint is presented, in which the Pauli (steric) repulsion controls the mechanism of hydrogen bonding. Quantum chemical computations on the mismatched DNA base pairs CC and GG (C=cytosine, G=guanine) show that the enhanced stabilization and shorter distance of GG is determined entirely by the difference in the Pauli repulsion, which is significantly less repulsive for GG than for CC. This is the first time that evidence is presented for the Pauli repulsion as decisive factor in relative hydrogen‐bond strengths and lengths.
N‐Radical‐Initiated Cyclization through Insertion of Sulfur Dioxide under Photoinduced Catalyst‐Free Conditions
Authors: Mao Runyu , Yuan Zheng , Li Yuewen , Wu Jie 
Published: May 2017

AbstractA N‐radical‐initiated cyclization involving the sulfonylation of unactivated alkenes through insertion of sulfur dioxide in the presence of visible light under catalyst‐free conditions is accomplished. A range of sulfonated 3,4‐dihydro‐2H‐pyrroles can be generated in good yields under photoinduced sulfonylative conditions. Additionally, the corresponding 2‐(3,4‐dihydro‐2H‐pyrrol‐2‐yl)methylsulfonyl‐1‐arylethanones can be easily converted to 3,4‐dihydro‐2H‐1,4‐thiazine 1,1‐dioxides. This photoinduced transformation occurs efficiently at room temperature under catalyst‐free conditions, and various functional groups can be tolerated. A tandem radical process is involved through the iminyl radical‐mediated cyclization with the insertion of sulfur dioxide; this process shows high efficiency and good selectivity.
Catalytic Electrophilic C−H Borylation Using NHC⋅Boranes and Iodine Forms C2‐, not C3‐, Borylated Indoles
Authors: McGough John S. , Cid Jessica , Ingleson Michael J. 
Published: May 2017

AbstractActivation of N‐heterocyclic carbene boranes (NHC⋅BH3) by I2 enables the metal‐free catalytic C−H borylation of heteroarenes with formation of H2 as the by‐product in a process that uses only bench stable precursors. The borylation of indoles using NHC⋅BH3/I2 produces C2‐borylated indoles exclusively in contrast to other catalytic electrophilic C−H borylation methods. Mechanistic studies indicate that this is due to C3 to C2 boron migration facilitated by the absence of exogenous Brønsted bases. Thus this C−H borylation methodology proceeds under sufficiently Brønsted acidic conditions to enable the thermodynamic C2‐borylated indole isomer to be formed instead of the C3 borylated‐isomer. This demonstrates that electrophilic C−H borylation can be used to access a wider range of borylated regioisomers than reported to date.
Removal of Endocrine Disrupting Chemicals in Water with the Natural Mineral Alginite
Authors: Tröbs Ramona , Bertau Martin 
Published: May 2017

AbstractDie nachgewiesenen Konzentrationen wie auch die Vielfalt von endokrin wirksamen Chemikalien (EDC) in Oberflächengewässern nehmen seit Jahren zu. Die toxische Wirkung der EDC auf verschiedene Umweltorganismen ist schon seit längerer Zeit bekannt. Gegenwärtige Verfahren zur Entfernung der EDC, wie Ozonierung oder Adsorption an Aktivkohle sind mit hohen Kosten verbunden. Das natürlich vorkommende Gestein Alginit kann die existierende Methodik wirkungsvoll ergänzen. Aufgrund seines heterogenen Aufbaus lassen sich sowohl polare als auch unpolare EDC aus dem Wasser entfernen. Es werden Abreicherungsraten bis zu 100 % erreicht.
Spherical P‐modified catalysts for heterogeneous cross‐aldol condensation of formaldehyde with methyl acetate for methyl acrylate production
Authors: Zuo Cuncun , Li Chunshan , Ge Tingting , Guo Xinpeng , Zhang Suojiang 
Published: May 2017

AbstractA series of spherical supported catalysts were prepared for the production of methyl acrylate (MA) via cross‐aldol condensation with methyl acetate (MeOAc) and formaldehyde—the simplest aldehyde without α‐H. ZSM‐5, γ‐Al2O3, MCM‐41, SBA‐15, and β‐zeolite were used as supports and phosphorus element (P) was selected for the active component to synthesize the catalyst to study the influence of the catalyst acid‐base properties on the yield of MA. The catalyst was characterized with X‐ray diffraction, XPS, Pyridine FTIR, BET, SEM, TEM, CO2‐TPD, and NH3‐TPD and the changes of the catalyst structure and acid properties were explored. The results showed the carbonyl polarity of methyl acetate was boosted by Lewis acid sites (L acid) and the formaldehyde activation and formation of ester enol form could be promoted by Bronsted acid sites (B acid). Using the fixed‐bed reactor, the effect of calcination temperature, catalyst loading, reaction temperature, molar ratio of reactants, and sources of phosphorus were optimized, then the catalyst life and regeneration performance were also evaluated. Lastly, the catalytic mechanism of P‐modified ZSM‐5 catalysts was proposed.
Dehydration kinetics for coal‐based isobutanol on γ‐Al2O3
Authors: Mi Rongli , Li Yingming , Tian Xueyu , Peng Hailing , Yang Bolun 
Published: May 2017

AbstractIsobutanol dehydration using γ‐Al2O3 catalysts to produce isobutene was carried out by a fixed bed reactor at 0.1 MPa. The effects of temperature, weight hourly space velocity, and particle size of catalyst on the conversion of isobutanol and selectivity of isobutene were investigated to find the optimum reaction conditions and get the kinetics information. The experimental results indicated that higher temperature could improve the conversion of isobutanol while a peak of selectivity of isobutene can be monitored with the temperature increasing. Meanwhile, increasing the flow rate leads to a decrease in the conversion of isobutanol, but showed little effect on selectivity of isobutene. The intrinsic kinetics model of isobutanol dehydration over γ‐Al2O3 was developed according to the experimental results. The adsorption of isobutanol was considered as a rate‐determining step from the analysis results of reaction mechanism, and kinetics parameters were obtained by Levenberg‐Marquardt algorithm. The calculated results agreed well with the experimental data.
Lead Halide Perovskite Nanocrystals: Stability, Surface Passivation, and Structural Control
Authors: Luo Binbin , Naghadeh Sara Bonabi , Zhang Jin Z. 
Published: May 2017

AbstractLead halide (LH) perovskites have received enormous attention recently because of their interesting optoelectronic properties and high power conversion efficiency (PCE) in photovoltaic solar cells. However, material instability toward factors such as water, UV light, temperature, and oxygen have presented a major challenge for practical applications. Recently, LH perovskite nanocrystals (PNCs) have also drawn increasing attention owing to their tunable optical properties and ability to serve as model systems for studying the mechanism of material instability or degradation. Surface passivation of PNCs is critical to achieving high stability and desired optical properties. In this review, we highlight several surface passivation strategies developed for improving the stability of LH perovskites and synthesizing PNCs with different morphologies as a promising class of materials for photovoltaics, light‐emitting diodes (LEDs), and sensing applications.
Towards Characterization of All 3 × 3 Extremal Quasiconvex Quadratic Forms
Authors: Harutyunyan Davit , Milton Graeme Walter 
Published: May 2017

AbstractGiven a d × d quasiconvex quadratic form, d ≥ 3, we prove that if the determinant of its acoustic tensor is an irreducible extremal polynomial that is not identically zero, then the form itself is an extremal quasiconvex quadratic form; i.e., it loses its quasiconvexity whenever a convex quadratic form is subtracted from it. In the special case d=3, we slightly weaken the condition; namely we prove that if the determinant of the acoustic tensor of the quadratic form is an extremal polynomial that is not a perfect square, then the form itself is an extremal quadratic form. In the case d=3 we also prove that if the determinant of the acoustic tensor of the form is identically zero, then the form is either extremal or polyconvex. Also, if the determinant of the acoustic tensor of the form is a perfect square, then the form is either extremal or polycovex, or is a sum of a rank‐1 form and an extremal whose acoustic tensor determinant is identically zero. Here we use the notion of extremality introduced by Milton in 1990. © 2017 Wiley Periodicals, Inc.
Full Correlations across Broad NMR Spectra by Two‐Field Total Correlation Spectroscopy
Authors: Kadeřávek Pavel , Strouk Léonard , Cousin Samuel F. , Charlier Cyril , Bodenhausen Geoffrey , Marquardsen Thorsten , Tyburn Jean‐Max , Bovier Pierre‐Alain , Engelke Frank , Maas Werner , Ferrage Fabien 
Published: May 2017

AbstractTotal correlation spectroscopy (TOCSY) is a key experiment to assign nuclear magnetic resonance (NMR) spectra of complex molecules. Carbon‐13 TOCSY experiments are essential to assign signals of protein side chains. However, the performance of carbon‐13 TOCSY deteriorates at high magnetic fields since the necessarily limited radiofrequency irradiation fails to cover the broad range of carbon‐13 frequencies. Here, we introduce a new concept to overcome the limitations of TOCSY by using two‐field NMR spectroscopy. In two‐field TOCSY experiments, chemical shifts are labelled at high field but isotropic mixing is performed at a much lower magnetic field, where the frequency range of the spectrum is drastically reduced. We obtain complete correlations between all carbon‐13 nuclei belonging to amino acids across the entire spectrum: aromatic, aliphatic and carboxylic. Two‐field TOCSY should be a robust and general approach for the assignment of uniformly carbon‐13 labelled molecules in high‐field and ultra‐high field NMR spectrometers beyond 1000 MHz.
A Simple Strategy for the Controlled Synthesis of Ultrasmall Hexagonal‐Phase NaYF4:Yb,Er Upconversion Nanocrystals
Authors: Zhai Xuesong , Wang Ying , Liu Xiaojuan , Liu Shihu , Lei Pengpeng , Yao Shuang , Song Shuyan , Zhou Liang , Feng Jing , Zhang Hongjie 
Published: May 2017

AbstractPrecise control over the size and crystallographic phase of nanocrystals allows the manipulation of their properties and applications as desired. Hexagonal‐phase NaYF4 (β‐NaYF4) upconversion nanocrystals with efficient luminescence are quite desirable for bio‐applications, but synthetic control over the nanocrystallite size remains challenging. Herein we verify experimentally that control of the hexagonal‐phase nucleation is crucial for controlling the final particle size and the number of hexagonal‐phase seeds strongly depends on the actual F(Na):Y ratio. A negligible number of hexagonal‐phase seeds were formed at low ratio whereas the high ratio yields a very large number of seeds. We also identify that the actual F(Na):Y ratio is more likely related to the different methods employed for the addition of NH4F and NaOH rather than its initial feeding ratio. By taking advantage of this dependence and varying the reaction conditions (temperature and time), β‐NaYF4:Yb,Er nanocrystals with a size smaller than 6 nm can be synthesized. Theoretical modeling shows a good agreement with the experimental results.