bluuebunny/crossref_metadata_2025_split huggingface dataset:
Energy transfer rate and electron–phonon coupling properties in Eu3+‐doped nanophosphors
Authors: Ren Y. D. , Liu Y. H. , Tan S. M. , Cui H. Y. , Wang Y. L. , Li X. M. , Yang R. , Wei X. , Zhang H. W. , Sun Y. D. 
Published: September 2016

AbstractA series of controllable emissions SrWO4:Eu3+ and charge‐compensated SrWO4:
(m = 0.01 or 0.20) phosphors was successfully prepared via a simple co‐precipitation method. The energy transfer mechanism was studied based on the Huang's theory. A low magnitude of Huang‐Rhys factor (10−2) was calculated using phonon sideband spectra. The Judd–Ofelt parameters Ωλ (λ = 2, 4 and 6) of Eu3+‐activated SrWO4 doped with charge compensation were obtained. The calculated Commission Internationale de l'Eclairage chromaticity coordinates were found to be about (0.67, 0.33) for SrWO4:
and charge‐compensated SrWO4:
phosphors, which coincided with the National Television Standard Committee system standard values for red. A white light emission was obtained under 362 nm excitation. The correlated color temperature was computed by a simple equation to characterize light sources. Thus, warm white light‐emitting diodes with higher Ra can be constructed by combining as‐prepared high efficiency, low correlated color temperature and high color purity phosphor.
White‐ and blue‐light‐emitting dysprosium(III) and terbium(III)‐doped gadolinium titanate phosphors
Authors: Antić Ž. , Kuzman S. , Đorđević V. , Dramićanin M. D. , Thundat T. 
Published: September 2016

AbstractHere we report the synthesis and structural, morphological, and photoluminescence analysis of white‐ and blue‐light‐emitting Dy3+‐ and Tm3+‐doped Gd2Ti2O7 nanophosphors. Single‐phase cubic Gd2Ti2O7 nanopowders consist of compact, dense aggregates of nanoparticles with an average size of ~25 nm for Dy3+‐doped and ~50 nm for Tm3+‐doped samples. The photoluminescence results indicated that ultraviolet (UV) light excitation of the Dy3+‐doped sample resulted in direct generation of white light, while a dominant yellow emission was obtained under blue‐light excitation. Intense blue light was obtained for Tm3+‐doped Gd2Ti2O7 under UV excitation suggesting that this material could be used as a blue phosphor.
Application of a mechanistic model as a tool for on‐line monitoring of pilot scale filamentous fungal fermentation processes—The importance of evaporation effects
Authors: Mears Lisa , Stocks Stuart M. , Albaek Mads O. , Sin Gürkan , Gernaey Krist V. 
Published: September 2016

ABSTRACTA mechanistic model‐based soft sensor is developed and validated for 550L filamentous fungus fermentations operated at Novozymes A/S. The soft sensor is comprised of a parameter estimation block based on a stoichiometric balance, coupled to a dynamic process model. The on‐line parameter estimation block models the changing rates of formation of product, biomass, and water, and the rate of consumption of feed using standard, available on‐line measurements. This parameter estimation block, is coupled to a mechanistic process model, which solves the current states of biomass, product, substrate, dissolved oxygen and mass, as well as other process parameters including kLa, viscosity and partial pressure of CO2. State estimation at this scale requires a robust mass model including evaporation, which is a factor not often considered at smaller scales of operation. The model is developed using a historical data set of 11 batches from the fermentation pilot plant (550L) at Novozymes A/S. The model is then implemented on‐line in 550L fermentation processes operated at Novozymes A/S in order to validate the state estimator model on 14 new batches utilizing a new strain. The product concentration in the validation batches was predicted with an average root mean sum of squared error (RMSSE) of 16.6%. In addition, calculation of the Janus coefficient for the validation batches shows a suitably calibrated model. The robustness of the model prediction is assessed with respect to the accuracy of the input data. Parameter estimation uncertainty is also carried out. The application of this on‐line state estimator allows for on‐line monitoring of pilot scale batches, including real‐time estimates of multiple parameters which are not able to be monitored on‐line. With successful application of a soft sensor at this scale, this allows for improved process monitoring, as well as opening up further possibilities for on‐line control algorithms, utilizing these on‐line model outputs. Biotechnol. Bioeng. 2017;114: 589–599. © 2016 Wiley Periodicals, Inc.
Exploring the Potent Inhibition of CTP Synthase by Gemcitabine‐5′‐Triphosphate
Authors: McCluskey Gregory D. , Mohamady Samy , Taylor Scott D. , Bearne Stephen L. 
Published: September 2016

AbstractCTP synthase (CTPS) catalyzes the conversion of UTP to CTP and is a target for the development of antiviral, anticancer, antiprotozoal, and immunosuppressive agents. Exposure of cell lines to the antineoplastic cytidine analogue gemcitabine causes depletion of intracellular CTP levels, but the direct inhibition of CTPS by its metabolite gemcitabine‐5′‐triphosphate (dF‐dCTP) has not been demonstrated. We show that dF‐dCTP is a potent competitive inhibitor of Escherichia coli CTPS with respect to UTP [Ki=(3.0±0.1) μm], and that its binding affinity exceeds that of CTP ≈75‐fold. Site‐directed mutagenesis studies indicated that Glu149 is an important binding determinant for both CTP and dF‐dCTP. Comparison of the binding affinities of the 5′‐triphosphates of 2′‐fluoro‐2′‐deoxycytidine and 2′‐fluoro‐2′‐deoxyarabinocytidine revealed that the 2′‐F‐arabino group contributes markedly to the strong binding of dF‐dCTP. Geminal 2′‐F substitution on UTP (dF‐dUTP) did not result in an increase in binding affinity with CTPS. Remarkably, CTPS catalyzed the conversion of dF‐dUTP into dF‐dCTP, thus suggesting that dF‐dCTP might be regenerated in vivo from its catabolite dF‐dUTP.
Infective endocarditis after device closure of atrial septal defects: Case report and review of the literature
Authors: Amedro Pascal , Soulatges Camille , Fraisse Alain 
Published: September 2016

We report a case of late infective endocarditis in an 8‐year‐old boy 3 years after transcatheter closure of an atrial septal defect with the Amplatzer Atrial Septal Occluder Device. Echocardiography showed a very thick pannus lining the left atrial disc of the prosthesis, with some mobile elements. MRI showed several cerebral microemboli. The patient had dental caries and blood cultures found Staphylococcus aureus. Patient was treated with gentamicin and oxacillin before surgical removal of the prosthesis. Twenty‐one cases of infective endocarditis after atrial defect device closure have been reported in the literature (13 ostium secundum ASD and 8 patent foramen ovale). Seven pediatric cases were reported. S. aureus was the most frequent bacterium. Antibiotics were administered in all cases and most patients (n = 18) underwent surgical removal of the device. Incomplete endothelialization of the prosthesis was a suggested mechanism. Two patients died after surgery. © 2016 Wiley Periodicals, Inc.
Mechanism of the Palladium‐Catalyzed Synthesis of Münchnones: The Role of Ligands in N‐Acyl Iminium Salt Carbonylation
Authors: Tjutrins Jevgenijs , Dhawan Rajiv , Lu Yingdong , Arndtsen Bruce A. 
Published: September 2016

AbstractThe palladium‐catalyzed carbonylative coupling of imines, acid chlorides, and dipolarophiles can provide efficient routes to prepare nitrogen‐containing heterocycles. One challenge in developing this reaction, and in the creation of more active catalyst systems, is the lack of data on how this complex transformation proceeds. To address this, we report here the results of our mechanistic studies on this system, and in particular the formation of mesoionic münchnones. This includes the synthesis of key catalytic intermediates, model reactions, and kinetic studies that support the role of these compounds in catalysis. Together, these studies provide a clear picture of the impact of catalyst structure, ligands, and palladium nanoparticles on facilitating the carbonylation of in situ generated iminium salts, and suggest an avenue for the creation of more active catalyst systems.
ChemInform Abstract: Na2ZnGe2S6: A New Infrared Nonlinear Optical Material with Good Balance Between Large Second‐Harmonic Generation Response and High Laser Damage Threshold.
Authors: Li Guangmao , Wu Kui , Liu Qiong , Yang Zhihua , Pan Shilie 
Published: September 2016

AbstractIn the light of improving the balance between laser damage threshold (LDT) and the IR nonlinear optical (NLO) coefficient, single crystals of Na2ZnGe2S6 are prepared by solid state reaction of stoichiometric amounts of the elements (graphite crucible in evacuated silica tubes, 700 °C, 100 h; cooling to 200 °C at a rate of 5 K/h).
ChemInform Abstract: Single Crystal Structure and SHG of Defect Pyrochlores CsBVMoO6 (BV: Nb,Ta).
Authors: Fukina D. G. , Suleimanov E. V. , Yavetskiy R. P. , Fukin G. K. , Boryakov A. V. , Borisov E. N. , Borisov E. V. , Surodin S. I. , Saharov N. V. 
Published: September 2016

AbstractSingle crystals (50 μm) of CsNbMoO6 (I) and CsTaMoO6 (II) are grown by spontaneous crystallization from melts of CsNO3, Nb2O5 (Ta2O5) and MoO3 in the molar ratio of 3:0.2:4, resp.
ChemInform Abstract: The First Demonstration of the Gyroid in a Polyoxometalate‐Based Open Framework with High Proton Conductivity.
Authors: Gao Qiang , Wang Xiu‐Li , Xu Jian , Bu Xian‐He 
Published: September 2016

AbstractIn light of the fabrication of extended open frameworks with crystalline ordering following peculiar mathematical geometries (e.g. Moebius band, Klein bottle, periodic minimal surfaces, etc.), a polyoxometalate‐based open framework (POM‐OF) is discovered that lies on the gyroid (G)‐minimal surface and is constructed by a rare pair of chiral POM enantiomers and Zn ions.
ChemInform Abstract: Understanding the Formation of Salt‐Inclusion Phases: An Enhanced Flux Growth Method for the Targeted Synthesis of Salt‐Inclusion Cesium Halide Uranyl Silicates.
Authors: Morrison Gregory , Smith Mark D. , zur Loye Hans‐Conrad 
Published: September 2016

AbstractSingle crystals of [Cs3F][(UO2)(Si4O10)] (I), [Cs2Cs5F] [(UO2)2(Si6O17)] (II), [Cs9Cs6Cl] [(UO2)7(Si6O17)2 (Si4O12)] (III), and [Cs2Cs5F] [(UO2)3(Si2O7)2] (IV) are grown using an enhanced flux growth involving mixtures of UF4 or UO2 and SiO2 covered with a of 9:11 molar mixture of CsF and CsCl (Ag tubes, 800 °C, 12 h).
ChemInform Abstract: Synthesis and Characterization of New Fluoride‐Containing Manganese Vanadates A2Mn2V2O7F2 (A: Rb, Cs) and Mn2VO4F.
Authors: Sanjeewa Liurukara D. , McGuire Michael A. , Smith Pellizzeri Tiffany M. , McMillen Colin D. , Ovidiu Garlea V. , Willett Daniel , Chumanov George , Kolis Joseph W. 
Published: September 2016

AbstractSingle crystals of A2Mn2V2O7F2 (A: Rb, Cs) and Mn2VO4F are grown by high‐temperature hydrothermal reaction of stoichiometric amounts of Cs2CO3 (Rb2CO3), Mn2O3, and V2O5 together with CsF and RbF as mineralizers (Ag ampoules in water‐containing autoclave, 580 °C, 6—7 d).
ChemInform Abstract: Structure, Infrared and Raman Spectroscopic Studies of Newly Synthetic AII (SbV0.50FeIII0.50) (PO4)2 (A: Ba, Sr, Pb) Phosphates with Yavapaiite Structure.
Authors: Aatiq Abderrahim , Tigha My Rachid , Fakhreddine Rachid , Bregiroux Damien , Wallez Gilles 
Published: September 2016

AbstractThe title compounds are prepared by calcining stoichiometric amounts of Fe2O3, Sb2O3, NH4H2PO4, and SrCO3 or BaCO3 or Pb(NO3)2 in air (staged complex schedule max.
ChemInform Abstract: Palladium(IV) in an Oxoanionic Environment: The XeF2 Assisted Synthesis of [Pd(S2O7)3]2‐.
Authors: Bruns Joern , van Gerven David , Kluener Thorsten , Wickleder Mathias S. 
Published: September 2016

AbstractTetravalent Pd is detected in coordination by oxoanions via stabilization as a [Pd(S2O7)3]2‐ complex in which three chelating S2O72‐ groups surround the metal atom.
ChemInform Abstract: Dynamic Resolution of 2‐Cyclohexylidene Acetaldehydes Through Organocatalytic Dienamine [4 + 2] Cycloaddition.
Authors: Blom Jakob , Johansen Tore Kiilerich , Jensen Frank , Joergensen Karl Anker 
Published: September 2016

AbstractA series of tricyclic diketones (III) is readily prepared by reaction of aldehydes (I) with benzoquinones (II) in the presence of benzoic acid and a prolinol derivative as a catalytic system.
ChemInform Abstract: Kinetically Controlled E‐Selective Catalytic Olefin Metathesis.
Authors: Nguyen Tach T. , Koh Ming Joo , Shen Xiao , Romiti Filippo , Schrock Richard R. , Hoveyda Amir H. 
Published: September 2016

AbstractThe kinetically E‐selective cross‐metathesis reactions is designed to generate thermodynamically disfavored alkenyl chlorides and fluorides in high yield and with exceptional stereoselectivity.
ChemInform Abstract: Pd‐Catalyzed Aminocarbonylation of Alkynes with Amines Using Co2(CO)8 as a Carbonyl Source.
Authors: Dong Yaxi , Sun Suyan , Yang Fan , Zhu Yu , Zhu Weiguo , Qiao Huijie , Wu Yusheng , Wu Yangjie 
Published: September 2016

AbstractThe reaction proceeds with high yields when arylacetylene bromides and cyclic amines are utilized.
ChemInform Abstract: Synthesis of Fluorescent 2,6‐Dicyano‐3,5‐disubstituted Anilines Using Cellulose Sulfuric Acid in Aqueous Media.
Authors: Zonouzi Afsaneh , Izakian Zakieh , Abdi Khosrou , Ng Seik Weng 
Published: September 2016

AbstractTitle compounds are synthesized from an 1,3‐diketone and three equivalents of malononitrile using cellulose sulfuric acid as catalyst, and in the presence of a secondary amine which is essential.
ChemInform Abstract: Rh‐Catalyzed Reductive Mannich‐Type Reaction and Its Application Towards the Synthesis of (.+‐.)‐Ezetimibe.
Authors: Isoda Motoyuki , Sato Kazuyuki , Kunugi Yurika , Tokonishi Satsuki , Tarui Atsushi , Omote Masaaki , Minami Hideki , Ando Akira 
Published: September 2016

AbstractThe protocol is applied to the synthesis of (.+‐.)‐ezetimibe (VIII), a potent β‐lactamic cholesterol absorption inhibitor.
ChemInform Abstract: Metal‐Free Cascade Oxidative Decarbonylative Alkylarylation of Acrylamides with Aliphatic Aldehydes: A Convenient Approach to Oxindoles via Dual C(sp2)—H Bond Functionalization.
Authors: Yang Luo , Lu Wen , Zhou Wang , Zhang Feng 
Published: September 2016

AbstractThis reaction efficiently converts cheap and abundant aliphatic aldehydes into valuable alkyl radicals for the cascade construction of C(sp3)—C(sp3), and C(sp3)—C(sp2) bonds via dual C(sp2)—H bond functionalization.
ChemInform Abstract: Substrate‐Assisted Rhodium‐Catalyzed C—H Bond Cyanation of 2‐Arylbenzothiazoles.
Authors: Ping Yuanyuan , Ding Qiuping , Chen Zhaobin , Peng Yiyuan 
Published: September 2016

AbstractA mild and efficient substrate‐assisted C—H bond cyanation of 2‐arylbenzothiazoles is developed using CuCN as cyano‐group source.
ChemInform Abstract: Metal‐Free Synthesis of 3‐Arylquinolin‐2‐ones from Acrylic Amides via a Highly Regioselective 1,2‐Aryl Migration: An Experimental and Computational Study.
Authors: Liu Le , Zhang Tonghuan , Yang Yun‐Fang , Zhang‐Negrerie Daisy , Zhang Xinhao , Du Yunfei , Wu Yun‐Dong , Zhao Kang 
Published: September 2016

AbstractA variety of target compounds is available by the title process under conditions A).
ChemInform Abstract: Cobalt‐Catalyzed Synthesis of Quinolines from the Redox‐Neutral Annulation of Anilides and Alkynes.
Authors: Yan Qiangqiang , Chen Zhengkai , Liu Zhanxiang , Zhang Yuhong 
Published: September 2016

AbstractThis new method shows a remarkable regioselectivity in the case of meta‐substituted anilides (IVa,b) and unsymmetric acetylenes (VIII).
ChemInform Abstract: Double C—H Amination by Consecutive SET Oxidations.
Authors: Evoniuk Christopher J. , Hill Sean P. , Hanson Kenneth , Alabugin Igor V. 
Published: September 2016

AbstractThe intramolecular C—H amination of amines (I) and (VII) proceeds readily in the presence of DDQ as oxidant and FeCl3 as catalyst leading to substituted quinolines (II) and phenanthridines (VIII), respectively.
ChemInform Abstract: General and Efficient One‐Pot Synthesis of N‐Substituted 7‐Bromo‐2,3‐dihydro‐1H‐pyrrolo[3,4‐b]quinolin‐1‐ones
Authors: Li Yang , Li Kai , Gao Wentao 
Published: September 2016

Abstractby reaction of quinolinecarboxylates with various amines involving a consecutive Williamson‐type reaction
ChemInform Abstract: Synthesis and Characterization of Amidato Divalent Lanthanide Complexes and Their Use in Forming 2,4‐Quinazolidinones from CO2 and 2‐Aminobenzonitriles.
Authors: Wang Qianyu , Lu Chengrong , Zhao Bei , Yao Yingming 
Published: September 2016

AbstractThe synthesis of divalent amidato lanthanide complexes is developed and their ability to catalyze the reaction of 2‐aminobenzonitriles with CO2 is investigated to give quinazoline‐2,4(1H,3H)‐diones.
ChemInform Abstract: Molecular Iodine: A Highly Efficient Catalyst for the Regioselective Synthesis of Novel 1,2,4‐Triazepines.
Authors: Kidwai Mazaahir , Kukreja Shuchi , Singhal Kavita , Mishra Neeraj Kumar 
Published: September 2016

Abstractstarting from unsymmetric diarylpropenones and aminoguanidine hydrochloride as polynucleophile rendering NNCN group
ChemInform Abstract: Ruthenium‐BINAP Catalyzed Alcohol C—H tert‐Prenylation via 1,3‐Enyne Transfer Hydrogenation: Beyond Stoichiometric Carbanions in Enantioselective Carbonyl Propargylation.
Authors: Nguyen Khoa D. , Herkommer Daniel , Krische Michael J. 
Published: September 2016

AbstractThe highly enantioselective title reaction may be performed starting from aldehydes instead of alcohols.
Identification and Structure–Activity Relationship Studies of Small‐Molecule Inhibitors of the Methyllysine Reader Protein Spindlin1
Authors: Robaa Dina , Wagner Tobias , Luise Chiara , Carlino Luca , McMillan Joel , Flaig Ralf , Schüle Roland , Jung Manfred , Sippl Wolfgang 
Published: September 2016

AbstractThe methyllysine reader protein Spindlin1 has been implicated in the tumorigenesis of several types of cancer and may be an attractive novel therapeutic target. Small‐molecule inhibitors of Spindlin1 should be valuable as chemical probes as well as potential new therapeutics. We applied an iterative virtual screening campaign, encompassing structure‐ and ligand‐based approaches, to identify potential Spindlin1 inhibitors from databases of commercially available compounds. Our in silico studies coupled with in vitro testing were successful in identifying novel Spindlin1 inhibitors. Several 4‐aminoquinazoline and quinazolinethione derivatives were among the active hit compounds, which indicated that these scaffolds represent promising lead structures for the development of Spindlin1 inhibitors. Subsequent lead optimization studies were hence carried out, and numerous derivatives of both lead scaffolds were synthesized. This resulted in the discovery of novel inhibitors of Spindlin1 and helped explore the structure–activity relationships of these inhibitor series.
Strong Optical Dipole Force Exerted on Molecules Having Low Rotational Temperature
Authors: Sun Xing Nan , Jin Byung Gwun , Kim Lee Yeong , Kim Bong Jun , Zhao Bum Suk 
Published: September 2016

AbstractThe optical dipole force acting on molecules is enhanced by decreasing the rotational temperature of the molecule and aligning the molecular axis with a linearly polarized nonresonant laser beam. The rotational temperature is decreased by increasing the source pressure from 2 to 81 bar. By using the effective polarizability directly pertaining to the optical dipole force, the force and the resulting change in the velocity of the molecules can be evaluated. Theoretical calculations are compared with measurements based on velocity map imaging techniques. If the rotational temperature is reduced from 295 to 1 K, the maximum alignment is increased from <cos2θ>=0.33 to 0.92, and the average optical force is enhanced by 74 %.
Helical Aggregates of Building Blocks Formed In Situ from Five Components
Authors: Zhang Peng , Zhu Meng‐Si , Luo Hao , Li Zhao , Jiang Yun‐Bao 
Published: September 2016

AbstractReported here is the induced helical aggregation of an achiral cationic perylene‐3,4‐dicarboximide (1) that contains a phenylboronic acid group, together with UMP that bears a cis‐diol moiety able to interact with boronic acid and an imide group known to coordinate with Hg2+. In selected solvents, 1 exists in monomer form, even in the presence of either UMP or Hg2+. Helical aggregation only takes place if 1 is mixed with both UMP and Hg2+, which is shown to result from the formation of a building block consisting of five components in the form 1–U–Hg2+–U–1. Strong exciton‐coupled circular dichroism signals were observed in the absorption window of the achiral dye chromophore, demonstrating the transfer of the chirality of UMP to the supramolecular aggregates of P‐helicity. Synergism was shown to occur upon aggregation of the 1–U–Hg2+–U–1 building block, as substantially enhanced affinity and binding selectivity were observed for UMP and Hg2+, despite the otherwise weak and less selective interactions of 1–UMP and UMP–Hg2+. In support of this synergism, the g‐factor of the aggregates was found to be 1.4×10−2, which represents a high value. We thus show a strategy of in situ construction of a building block from multiple components, among which the interactions can be weak and less selective. Therefore, the design and syntheses of the constituent components are substantially simplified, yet diverse functions can be expected from their supramolecular aggregates.
Nanomedicine in Psychiatry: New Therapeutic Opportunities from Research on Small RNAs
Authors: Milanesi Elena , Maj Carlo , Bocchio‐Chiavetto Luisella , Maffioletti Elisabetta 
Published: September 2016

ABSTRACT

Preclinical Research

Alterations in small non‐coding RNAs have been observed in many human disease states including cancer, cardiovascular, developmental, neurological, and psychiatric disorders. These molecules have recently raised the interest of the scientific community for novel therapeutic approaches. Nanotechnologies, including the development of sophisticated nanoparticles, offer new ways for the delivery of small RNA‐based therapies. The nanoparticle delivery method appears attractive, but so far most of the work in this area has been conducted in the context of cancer. New therapeutic strategies are needed for psychiatric disorders, where treatment is often ineffective, leading to frequent patient hospitalizations and a growing economic burden. In this article, we discuss the role of small RNAs in psychiatric diseases and how this new knowledge, combined with innovations in nanotechnologies, could lead to the development of novel therapeutic approaches. Drug Dev Res 77 : 453–457, 2016. © 2016 Wiley Periodicals, Inc.