bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bio Adipic Acid Production from Sodium Muconate and Muconic Acid: A Comparison of two Systems
Authors: Capelli Sofia , Motta Davide , Evangelisti Claudio , Dimitratos Nikolaos , Prati Laura , Pirola Carlo , Villa Alberto 
Published: May 2019

Abstractsodium muconate and trans,trans‐muconic acid were heterogeneously hydrogenated to adipic acid, a strategic intermediate for the industry of polyamides and high performance polymers. Hydrogen pressure, metal to substrate ratio, substrate concentration and reaction temperature were varied to study the effect of these parameters on the reaction products. Commercial Pd/AC 5 % was used as catalyst and characterized by TEM, BET and XPS analyses. The results revealed that temperature is the parameter which mainly affect the reaction. Moreover, hydrogenation of trans,trans‐muconic acid is faster than sodium muconate reduction. Full conversion and full yield toward adipic acid was obtained using trans,trans‐muconic acid as substrate after 60 min at the following operating conditions: temperature=70 °C, metal/substrate=1/200 (molPd/molsub), trans,trans‐muconic acid concentration=1.42E‐02M and hydrogen pressure=1 bar. In all reactions (2E)hexenedioic acid was detected as main intermediate.
Enhanced Performance for Selective Catalytic Reduction of NOx with NH3 over Nanosized Cu/SAPO‐34 Catalysts
Authors: Chen Mengyang , Sun Qiming , Yang Guoju , Chen Xiaoxin , Zhang Qiang , Zhang Yibo , Yang Xiangguang , Yu Jihong 
Published: May 2019

AbstractA series of nanosized Cu/SAPO‐34 catalysts with different silicon contents were successfully synthesized by in situ hydrothermal method by using tetraethylammonium hydroxide and copper‐tetraethylenepentamine as co‐templates. The in situ prepared nanosized Cu/SAPO‐34 catalysts possess strong Brønsted acidity and well‐dispersed Cu species, showing enhanced performance for selective catalytic reduction of NOx with NH3 compared with micronsized and nanosized counterparts prepared by post impregnation method. Significantly, Cu/SAPO‐34 nanocatalysts prepared by in situ method maintain the catalytic activity after the hydrothermal aging treatment, suggesting their excellent hydrothermal stability. This work will provide some guidance for the design of highly efficient catalysts for NH3−SCR reactions.
Improved Biocatalytic Activity of the Debaryomyces Species in Seawater
Authors: Andreu Cecilia , del Olmo Marcel⋅lí 
Published: May 2019

AbstractBiocatalysis is an environmentally friendly strategy widely used in the chemical and pharmaceutical industries. One of its approaches consists in utilizing whole cells, which usually involves the consumption of large quantities of water. Oceans cover a large part of the Earth's surface, and constitute an important reservoir that can be used as an alternative to freshwater in chemical reactors. This work analyzed the behavior of several yeast halotolerant species belonging to genera Debaryomyces and Schwanniomyces in both freshwater and seawater. It concluded that these microorganisms were more resistant to organic solvents/compounds in the second medium. Their metabolic activity was also greater, which made the reduction reaction of several prochiral ketones more effective. Besides, yeasts cells displayed better performance in subsequent recycling steps, which could help reduce the costs of the process.
Evidence of Mixed‐Ligand Complexes in Cu−CHA by Reaction of Cu Nitrates with NO/NH3 at Low Temperature
Authors: Negri Chiara , Borfecchia Elisa , Cutini Michele , Lomachenko Kirill A. , Janssens Ton V. W. , Berlier Gloria , Bordiga Silvia 
Published: May 2019

AbstractThe reactivity with a NO/NH3 mixture of Cu‐nitrate complexes formed on the surface of a Cu−CHA catalyst active in the Selective Catalytic Reduction of NOx with NH3 (NH3−SCR) was followed at 50 °C by in situ spectroscopic techniques. The catalyst (Si/Al=15; Cu/Al=0.5) was first exposed to NO/O2 (mimicking the SCR oxidative half‐cycle), mainly resulting in the formation of chelating bidentate framework‐interacting CuII‐nitrates. These intermediates were gradually detached from the framework in the presence of NO/NH3 (or NH3 alone), forming mixed‐ligand mobile [CuII(NH3)3(NO3)]+ complexes, with infrared bands at 1624 (δNH3), 1430 and 1325 cm−1 (monodentate nitrate νNO2asym and νNO2sym, respectively). X‐ray absorption and Diffuse Reflectance UV‐Vis spectroscopies showed that during this transformation the CuII/CuI reduction, observed under similar conditions at 200 °C, hardly occurred. DFT calculations confirmed the stability of nitrate ligands in the monodentate conformation in [CuII(NH3)3(NO3)]+ complexes when solvated by ammonia. The resulting structure was successfully used to fit the corresponding experimental EXAFS spectra. The gradual change of ligands in the CuII coordination sphere was confirmed by the blue shifts of both
and Ligand to Metal Charge Transfer bands in Diffuse Reflectance UV‐Vis spectra, with formation of features (27500, 32000 and 38000 cm−1) ascribable to the mixed‐ligand configuration.
A Simple and Efficient Procedure for Rh(I)‐ and Ir(I)‐complex Catalyzed Para‐hydrogenation of Alkynes and Alkenes in Aqueous Media Resulting in Strong PHIP Effects
Authors: Papp Gábor , Horváth Henrietta , Joó Ferenc 
Published: May 2019

AbstractCatalytic hydrogenations with para‐H2 may lead to strong para‐hydrogen induced polarization (PHIP) and the hyperpolarized probe molecules may enable the application of the Magnetic Resonance Imaging (MRI) diagnostic modality for metabolism imaging. The use of water as a solvent for para‐hydrogenation reactions is very challenging due to the fast exchange between the catalytically active metal hydrides and the water protons and also because of the low hydrogen solubility in water. Here we report that several water‐soluble Rh(I)‐ and Ir(I)‐complexes with N‐heterocyclic carbene (NHC) and/or tertiary phosphine ligands efficiently catalyze the synthesis of hyperpolarized compounds by para‐hydrogenation in aqueous media.
Al/P‐ and Ga/P‐Based Frustrated Lewis Pairs and Electronically Unsaturated Substrates: Ring Cleavage and Ring Closure, C−C and C−N Bond Formation
Authors: Pleschka Damian , Uebing Marten , Lange Merten , Hepp Alexander , Wübker Anna‐Lena , Hansen Michael Ryan , Würthwein Ernst‐Ulrich , Uhl Werner 
Published: May 2019

AbstractAl/P‐ and Ga/P‐based frustrated Lewis pairs (FLPs) reacted with an azirine under mild conditions under cleavage of the heterocycle on two different positions. Opening of the C−C bond yielded an unusual nitrile–ylide adduct in which a C−N moiety coordinated to the FLP backbone. Cleavage of a C−N bond afforded the thermodynamically favored enamine adduct with the N atom bound to P and Al or Ga atoms. Ring closure was observed upon treatment of an Al/P FLP with electronically unsaturated substrates (4‐(1‐cyclohexenyl)‐1‐aza‐but‐1‐en‐3‐ynes) and yielded by C−N bond formation hexahydroquinoline derivatives, which coordinated to the FLP through P−C and Al−C bonds. Diphenylcyclopropenone showed a diverse reactivity, which depending on steric shielding and the polarizing effect of Al or Ga atoms afforded different products. An AltBu2/P FLP yielded an adduct with the C=O group coordinated to P and Al. The dineopentyl derivative gave an equilibrium mixture consisting of a similar product and a simple adduct with O bound to Al and a three‐coordinate P atom. Both compounds co‐crystallize. The Ga/P FLP only formed the simple adduct with the same substrate. Rearrangement resulted in all cases in C3‐ring cleavage and migration of a mesityl group from P to a former ring C atom by C−C bond formation. Diphenylthiocyclopropenone (evidence for the presence of P=C bonds) and an imine derivative afforded similar products.
Unveiling the Mechanisms of Aquaglyceroporin‐3 Water and Glycerol Permeation by Metadynamics
Authors: Wragg Darren , de Almeida Andreia , Casini Angela , Leoni Stefano 
Published: May 2019

AbstractWater and glycerol permeation through human AQP3 are described by exploiting advanced metadynamics approaches, which enabled both to explore the free energies involved in pore permeation and to achieve a description of the mechanisms with an atomistic level of detail.
Streamlined Synthesis of Diaminopyridines by Pd‐Catalyzed Ammonia Coupling with Deactivated Amino‐Chloropyridines
Authors: Bourriquen Florian , Bruneau‐Voisine Antoine , Jeandin Aliénor , Stihle Etienne , Fantasia Serena 
Published: May 2019

AbstractAn efficient and cost‐effective two‐step synthesis of diaminopyridines, fundamental building blocks of biologically active compounds, is reported. The advantages over previously reported routes include cost and wider availability of the bromo‐chloropyridine starting materials and the straightforward accessibility to an extended array of diaminopyridine regioisomers. The key enabler of this synthetic strategy is the development of an unprecedented palladium‐catalyzed coupling reaction of ammonia with chloropyridines deactivated by the presence of an alkylamino substituent. The coupling reaction was accomplished with very low catalyst loadings under remarkably mild reaction conditions, making the system particularly suitable for both academic and industrial applications. The utility of this methodology is exemplified by the application to the synthesis of highly relevant scaffolds, including the synthetic intermediates of the marketed drugs Ribociclib and Palbociclib.
Genotype Imputation in Genome‐Wide Association Studies
Authors: Naj Adam C. 
Published: May 2019

AbstractGenotype imputation infers missing genotypes in silico using haplotype information from reference samples with genotypes from denser genotyping arrays or sequencing. This approach can confer a number of improvements on genome‐wide association studies: it can improve statistical power to detect associations by reducing the number of missing genotypes; it can simplify data harmonization for meta‐analyses by improving overlap of genomic variants between differently‐genotyped sample sets; and it can increase the overall number and density of genomic variants available for association testing. This article reviews the general concepts behind imputation, describes imputation approaches and methods for various types of genotype data, including family‐based data, and identifies web‐based resources that can be used in different steps of the imputation process. For practical application, it provides a step‐by‐step guide to implementation of a two‐step imputation process consisting of phasing of the study genotypes and the imputation of reference panel genotypes into the study haplotypes. In addition, this review describes recently developed haplotype reference panel resources and online imputation servers that are capable of remotely and securely implementing an imputation workflow on uploaded genotype array data. © 2019 by John Wiley & Sons, Inc.
Enantioselective Photochromism under Circularly Polarized Light
Authors: Hashim P. K , Tamaoki Nobuyuki 
Published: May 2019

AbstractThe introduction of asymmetry into molecular systems by external chiral stimuli greatly contributes to our understanding of the intriguing homochirality which exists in biomolecules. Circularly polarized light (CPL) is a well‐known chiral physical force (right‐ or left‐handed), which can influence the enantiomeric equilibrium of racemic chiral compounds via preferential interaction with one of the enantiomers. As a light absorption moiety in the chiral system, photochromic molecules best contribute to the enhancement of spectral characteristics, which is highly desirable for the experimental observation of CPL‐based enantioselective reactions. In this Minireview, CPL‐directed enantioselective photochromism, with an emphasis on several azobenzene derivatives, will be discussed. We briefly discuss the recent examples of chiral amplification methods that utilize CPL chiral forces along with a short perspective for future directions.
Mesityl or Imide Acridinium Photocatalysts: Accessible Versus Inaccessible Charge‐Transfer States in Photoredox Catalysis
Authors: Gini Andrea , Rigotti Thomas , Pérez‐Ruiz Raúl , Uygur Mustafa , Mas‐Ballesté Rubén , Corral Inés , Martínez‐Fernández Lara , de la Peña O'Shea Victor A. , García Mancheño Olga , Alemán José 
Published: May 2019

AbstractA study on C9‐imide acridinium photocatalysts with enhanced photoredox catalytic activity with respect to the well‐established C9‐mesityl acridinium salt is presented. The differences observed rely on the diverse accessibility of singlet charge‐transfer excited states, which have been proven by CASPT2/CASSCF calculations, fluorescence and quenching studies.
Lignin for Nano‐ and Microscaled Carrier Systems: Applications, Trends, and Challenges
Authors: Sipponen Mika Henrikki , Lange Heiko , Crestini Claudia , Henn Alexander , Österberg Monika 
Published: May 2019

AbstractInvited for this month′s cover is the Review by Mika H. Sipponen and collaborators at Aalto University (Finland), University of Naples Federico II (Italy), and University of Venice Ca’ Foscari (Italy). The image shows the versatility of lignins in the fabrication of carrier materials for various active ingredients in nanomedicine, agricultural chemistry, and biocatalysis. The Review itself is available at 10.1002/cssc.201900480.
Relapse prevention and selective serotonin reuptake inhibitor medication in two adolescents with anorexia nervosa
Authors: Luzier Jessica , Rached Kristina , Talley Jessica 
Published: May 2019

AbstractObjectiveClinicians and researchers have long struggled to find effective treatments for people with anorexia nervosa (AN). Although most clinical guidance suggests that selective‐serotonin reuptake inhibitor (SSRI) medication is not an effective first‐line treatment for AN, in practice, these medicines continue to be frequently prescribed for comorbid diagnoses.MethodIn this case report, two adolescents who were in sustained remission from AN either relapsed or began to decline significantly once their dose of SSRI medication was tapered.ResultsIn Case A, despite a very slow and measured taper, this child dropped significant weight in a short amount of time after the medication was discontinued. Fortunately for Case B, symptoms emerged before the taper was complete, and providers could quickly increase the dose of medication early in her struggle with AN thoughts and urges.DiscussionA brief review of literature regarding SSRI medication use in AN is presented along with considerations for future research.
Some thoughts about enantioseparations in capillary electrophoresis
Authors: Fanali Salvatore , Chankvetadze Bezhan 
Published: May 2019

AbstractIn this overview the goal of the authors was to analyze from the historical perspective the reasons of success and failure of chiral capillary electrophoresis. In addition, the current trends are analyzed, unique advantages of capillary electrophoresis are highlighted and some future directions are discussed.
Design and analysis of fuel cell and photovoltaic based 110 V DC microgrid using hydrogen energy storage
Authors: Alam Mohd , Kumar Kuldeep , Dutta Viresh 
Published: May 2019

AbstractA 110 V DC system has been designed for photovoltaic and fuel cell generators to operate DC loads such as LED lights, fans, laptop, and mobile phone charging in a DC microgrid. As the output characteristics of photovoltaic and fuel cell generators vary according to the operating conditions and connected load, the designing of the DC‐DC converter ensures that a stable DC voltage is available to the load under varying input voltage. A boost converter (with output power of 500 W) has therefore been fabricated to generate a stable 110 V output voltage for a widely varying input voltage (30‐85 V), which utilizes photovoltaic (750 Wp) and a proton exchange membrane fuel cell (1 kW) power generators. The DC‐DC converter is designed to use either a silicon or silicon carbide power MOSFET by a suitably modified circuit, both are operated at 20 kHz switching frequency. The maximum converter efficiencies with silicon and silicon carbide MOSFETs are 95.7% and 97.8%, respectively. It is shown that the DC‐DC converter provides a stable operation with variations in operating conditions of photovoltaic and fuel cell generators and is well suited for application in a 110 V DC microgrid and Railways load applications. A feasibility study is performed for determining the sizes of photovoltaic and fuel cell generators to meet the Railways carriage load demand and found to be 5 kW photovoltaic and 5 kW fuel cell.
A probabilistic atlas of the human motion complex built from large‐scale functional localizer data
Authors: Huang Taicheng , Chen Xiayu , Jiang Jian , Zhen Zonglei , Liu Jia 
Published: May 2019

AbstractAccurate motion perception is critical to dealing with the changing dynamics of our visual world. A cluster known as the human MT+ complex (hMT+) has been identified as a core region involved in motion perception. Several atlases defined based on cytoarchitecture, retinotopy, connectivity, and multimodal features include homologs of the hMT+. However, an hMT+ atlas defined directly based on this region's response for motion is still lacking. Here, we identified the hMT+ based on motion responses from functional magnetic resonance imaging (fMRI) localizer data in 509 participants and then built a probabilistic atlas of the hMT+. As a result, four main findings were revealed. First, the hMT+ showed large interindividual variability across participants. Second, the atlases stabilized when the number of participants used to build the atlas was more than 100. Third, the functional hMT+ showed good agreement with the hMT+ atlases built based on cytoarchitecture, retinotopy, and connectivity, suggesting a good structural–functional correspondence. Fourth, tests on multiple fMRI data sets acquired from independent participants, imaging parameters and paradigms revealed that the functional hMT+ showed higher sensitivity than all other atlases in ROI analysis except that connectivity and multimodal hMT+ atlases in the left hemisphere could infrequently attain comparable sensitivity to the functional atlas. Taken together, our findings reveal the benefit of using large‐scale functional localizer data to build a reliable and representative hMT+ atlas. Our atlas is freely available for download; it can be used to localize the hMT+ in individual participants when functional localizer data are not available.
Combination of vascularization and cilia formation for three‐dimensional airway tissue engineering
Authors: Kreimendahl Franziska , Ossenbrink Sina , Köpf Marius , Westhofen Martin , Schmitz‐Rode Thomas , Fischer Horst , Jockenhoevel Stefan , Thiebes Anja L. 
Published: May 2019

AbstractTissue engineering is a promising approach to treat massive airway dysfunctions such as tracheomalacia or tumors. Currently, there is no adequate solution for patients requiring the resection of more than half of the length of their trachea. In this study, the best conditions for combination of three different cell types from the respiratory airway system were investigated to develop a functional ciliated and pre‐vascularized mucosal substitute in vitro. Primary human fibroblasts were combined with respiratory epithelial cells and endothelial cells. As scaffolds, fibrin gel and agarose‐type I collagen blends were used and cultured with different medium compositions to optimize both vascularization and differentiation of the respiratory epithelium. A mixture of endothelial growth medium and epithelial differentiation medium was shown to optimize both vascularization and epithelial growth and differentiation. After 28 days of co‐culture, significantly increased formation of capillary‐like structures was observed in fibrin gels with more than three times higher structure volumes compared to agarose–collagen gels. After 35 days, epithelial differentiation into a pseudostratified epithelium with typical marker expression was improved on fibrin gels. While cilia formation was shown on both scaffolds, a higher number of ciliated cells and longer cilia were observed on fibrin gels. The data elucidate the important interplay of co‐culture parameters and their impact on vascularization as well as epithelium development and provide a basis for development of functional three‐dimensional airway constructs.
Therapeutic effect of curcumin on acrylamide‐induced apoptosis mediated by MAPK signaling pathway in Leydig cells
Authors: Yildizbayrak Nebahat , Erkan Melike 
Published: May 2019

AbstractThe aim of this study was to investigate the possible therapeutic effects of curcumin (CUR), against acrylamide (AA)‐induced toxic effects on Leydig cells. The AA and CUR‐treated cells were evaluated for cell viability, lipid peroxidation, reactive oxygen species (hydroxyl radical and hydrogen peroxide), antioxidant levels (glutathione peroxidase, glutathione‐S‐transferase, and catalase), apoptosis/necrosis rates and phosphorylation status of mitogen‐activated protein kinases (MAPKs). Leydig cells were exposed to four concentrations of AA (1, 10, 100, 1000 µM) in the presence and absence of CUR (2.5 µM) for 24 hours. According to the present result, AA concentration‐dependently, increased the oxidative stress parameters and suppressed the antioxidant enzyme levels, meanwhile induced apoptosis and activated the phosphorylation of extracellular signal‐regulated kinase, p38, and c‐Jun NH
2‐terminal kinase. Moreover, CUR ameliorated the detrimental effects of AA. Thus, AA‐induced apoptosis through activation of the MAPK signaling pathway and CUR has a protective effect against AA‐induced damage in Leydig cells.
Actin depolymerization disrupts karyosphere capsule integrity but not residual transcription in late oocytes of the grass frog Rana temporaria
Authors: Ilicheva Nadya V. , Pochukalina Galina N. , Podgornaya Olga I. 
Published: May 2019

AbstractLate diplotene oocytes are characterized by an essential decrease in transcriptional activity. At this time, chromosomes condense and form a compact structure named a karyosphere. The karyosphere of grass frogs Rana temporaria is surrounded by a fibrillar karyosphere capsule (KC). One of the main protein constituents of R. temporaria KC is actin. In this study, we used antibodies against different actin epitopes to trace different forms of actin in the KC. We also investigated the effect of F‐actin depolymerization on the oocyte nuclear structures and transcription of chromatin DNA and rDNA in the amplified nucleoli. It was determined that disruption of actin filaments leads to chromosome shrinkage, nucleoli fusion, and distortion of the KC structure, but does not inhibit residual transcription in both the karyosphere and the nucleoli.