bluuebunny/crossref_metadata_2025_split huggingface dataset:
Oxidations of Allylic and Benzylic Alcohols under Inductively‐Heated Flow Conditions with Gold‐Doped Superparamagnetic Nanostructured Particles as Catalyst and Oxygen as Oxidant
Authors: Chaudhuri Sangeeta Roy , Hartwig Jan , Kupracz Lukas , Kodanek Torben , Wegner Jens , Kirschning Andreas 
Published: October 2014

AbstractA continuous flow protocol for the oxidation of allylic and benzylic alcohols to aldehydes and ketones, respectively, using oxygen gas or atmospheric air is reported. The key features of this work are gold nanoparticles that are attached to the surface of nanostructured core shell particles composed of an Fe3O4‐containing core and a silica shell. These nanostructured particles exert superparamagnetic properties and thus inductively heat up in an external oscillating electromagnetic field, conditions under which the gold catalyst is able to perform these oxidation reactions.magnified image
Enantioselective Michael/aza‐Michael/Cyclization Organocascade to Tetracyclic Spiroindolines: Concise Total Synthesis of Kopsinine and Aspidofractine
Authors: Wu Xiaoyu , Huang Jianbiao , Guo Beibei , Zhao Long , Liu Yong , Chen Jie , Cao Weiguo 
Published: October 2014

AbstractKopsinine and related alkaloids are attractive synthetic targets because of their structural complexity and biological activities. An organocatalytic Michael addition/aza‐Michael addition/cyclization cascade sequence has been developed for the enantioselective preparation of tetracyclic spiroindolines from 2,3‐disubstituted indoles and propargyl aldehyde in moderate to good yields and good to excellent enantioselectivities. The synthetic value of these advanced structures has been demonstrated by the synthesis of kopsinine and related alkaloids. Key steps for the concise synthesis of these alkaloids included an efficient enantioselective construction of tetracyclic spiroindolines bearing a dienamino ester moiety and the organocatalyzed nucleophilic addition of a dienamino ester to acrolein.magnified image
Thermal Intramolecular [2+2] Cycloaddition: Synthesis of 3‐Azabicyclo[3.1.1]heptanes from Morita–Baylis–Hillman Adduct‐Derived 4,4‐Diaryl‐1,3‐dienes
Authors: Kim Ko Hoon , Lim Jin Woo , Lee Junseung , Go Min Jeong , Kim Jae Nyoung 
Published: October 2014

AbstractVarious 3‐azabicyclo[3.1.1]heptane derivatives were synthesized from Morita–Baylis–Hillman adduct‐derived 1,3‐dienes bearing a 4,4‐diaryl moiety through a thermal intramolecular [2+2] cycloaddition approach. By using the same approach, bicyclo[3.1.1]heptane, 3‐azabicyclo[3.2.0]heptane, and 3‐oxabicyclo[3.1.1]heptane derivatives could also be synthesized. A structurally similar dimethylallyl derivative underwent an intramolecular ene reaction to afford the pyrrolidine derivative.magnified image
Enantioselective Protonation by Aza‐Michael Reaction between Pyrazoles and α‐Substituted Vinyl Ketones
Authors: Zhang Jianlin , Zhang Yulong , Liu Xiaohua , Guo Jing , Cao Weidi , Lin Lili , Feng Xiaoming 
Published: October 2014

AbstractAn enantioselective protonation by means of chiral scandium complex‐catalyzed aza‐Michael reaction was realized. A series of α‐aryl‐substituted vinyl ketones reacted with pyrazoles smoothly, affording the corresponding enantiomerically enriched pyrazole derivatives with excellent results (up to 99% yield, 94% ee). Water and hydrogen chloride were found to accelerate the protonation process.magnified image
A Rapidly Self‐Healing Supramolecular Polymer Hydrogel with Photostimulated Room‐Temperature Phosphorescence Responsiveness
Authors: Chen Hui , Ma Xiang , Wu Shuaifan , Tian He 
Published: October 2014

AbstractDevelopment of self‐healing and photostimulated luminescent supramolecular polymeric materials is important for artificial soft materials. A supramolecular polymeric hydrogel is reported based on the host–guest recognition between a β‐cyclodextrin (β‐CD) host polymer (poly‐β‐CD) and an α‐bromonaphthalene (α‐BrNp) polymer (poly‐BrNp) without any additional gelator, which can self‐heal within only about one minute under ambient atmosphere without any additive. This supramolecular polymer system can be excited to engender room‐temperature phosphorescence (RTP) signals based on the fact that the inclusion of β‐CD macrocycle with α‐BrNp moiety is able to induce RTP emission (CD‐RTP). The RTP signal can be adjusted reversibly by competitive complexation of β‐CD with azobenzene moiety under specific irradiation by introducing another azobenzene guest polymer (poly‐Azo).
Identification of Bacteria in Water by a Fluorescent Array
Authors: Chen Wenwen , Li Qizhai , Zheng Wenshu , Hu Fang , Zhang Guanxin , Wang Zhuo , Zhang Deqing , Jiang Xingyu 
Published: October 2014

AbstractWe report a method for the rapid and efficient identification of bacteria making use of five probes having fluorescent characteristics (F‐array) and subsequent statistical analysis. Eight kinds of bacteria, including normal and multidrug‐resistant bacteria, are differentiated successfully. Our easy‐to‐perform and time‐saving method consists of mixing bacteria and probes, recording fluorescent intensity data by automated flow cytometry, and statistical analysis. No washing steps are required in order to identify the different bacteria simultaneously.
Assessing near‐bed velocity in a recruiting population of the endangered freshwater pearl mussel (Margaritifera margaritifera) in Ireland
Authors: Moorkens Evelyn A. , Killeen Ian J. 
Published: October 2014

AbstractStream bed and mid‐column velocities, depth, redox, and mussel densities were measured in 76 quadrats across five transects in Margaritifera margaritifera habitat supporting high densities of adult mussels and evidence of recent juvenile recruitment.At relatively low flow (Q85), the near‐bed velocities over the mussel habitat remained high, with optimal habitat having stream velocities of 0.27–0.31 m s−1.The average near‐bed velocity for mussel densities greater than 20 m−2 was 0.3 m s−1, with a range from 0.18 m s−1 for mussel densities lower than 10 m−2, to 0.3 m s−1 for mussel densities greater than 50 m−2.The average velocity at 60% depth for mussel densities greater than 20 m−2 was 0.37 m s−1, with a range from 0.21 m s−1 for mussel densities lower than 10 m−2, to 0.39 m s−1 for mussel densities greater than 50 m−2.Percentage redox losses from open water to water at 5 cm substrate depth were an average of 18% for mussel densities of 1–10 m−2 to 13% at mussel densities >100 m−2.The conclusion from this study is that relatively high velocities are present at relatively low flows in sustainable Margaritifera habitat, suggesting that this species is adapted to a combination of stable substrate conditions that are kept clean through high water velocities with low fine sediment infiltration, rather than habitat that is subject to regular fine sediment infiltration followed by substrate cleansing. Copyright © 2014 John Wiley & Sons, Ltd.
The Prevalence of Fibromyalgia in the General Population: A Comparison of the American College of Rheumatology 1990, 2010, and Modified 2010 Classification Criteria
Authors: Jones Gareth T. , Atzeni Fabiola , Beasley Marcus , Flüß Elisa , Sarzi‐Puttini Piercarlo , Macfarlane Gary J. 
Published: October 2014

ObjectiveThe American College of Rheumatology (ACR) 1990 fibromyalgia classification criteria are based on the presence of widespread pain and tenderness. In 2010, new criteria were proposed that focused more on multiple symptoms, and these criteria were later modified to require only self report of symptoms. The current study aimed to determine the population prevalence of fibromyalgia and to compare differences in prevalence using the alternative criteria.MethodsA cross‐sectional survey was conducted. Questionnaires, including items on pain, symptoms, and rheumatologic diagnoses, were mailed to 4,600 adults in northeast Scotland. Participants who had chronic widespread pain or those who met the modified 2010 criteria, plus a subsample of other participants, were invited to attend a research clinic. Attendees completed an additional questionnaire and underwent a rheumatologic examination, and their signs and symptoms were classified according to the ACR 1990, 2010, and modified 2010 criteria. The prevalence of fibromyalgia according to each set of criteria was calculated, weighting back to the target population by age, sex, and area of residence.ResultsOf 1,604 questionnaire participants, 269 were invited to attend the research clinic, and 104 (39%) attended; 32 of these subjects (31%) met ≥1 set of fibromyalgia criteria. The prevalence of fibromyalgia according to the 1990, 2010, and modified 2010 criteria was 1.7% (95% confidence interval [95% CI] 0.7–2.8), 1.2% (95% CI 0.3–2.1), and 5.4% (95% CI 4.7–6.1), respectively. The ratio of females to males was 13.7:1, 4.8:1, and 2.3:1 of those meeting the respective criteria sets.ConclusionFibromyalgia prevalence varies with the different sets of classification criteria applied. In particular, prevalence is higher and a greater proportion of men are identified with the modified 2010 criteria as compared to the criteria sets requiring clinician input. This has important implications for the use of the new criteria, both in research and in clinical practice.
Design of Mononuclear Ruthenium Catalysts for Low‐Overpotential Water Oxidation
Authors: Okamura Masaya , Masaoka Shigeyuki 
Published: October 2014

AbstractWater oxidation is a key reaction in natural photosynthesis and in many schemes for artificial photosynthesis. Inspired by energy challenges and the emerging understanding of photosystem II, the development of artificial molecular catalysts for water oxidation has become a highly active area of research in recent years. In this Focus Review, we describe recent achievements in the development of single‐site ruthenium catalysts for water oxidation with a particular focus on the overpotential of water oxidation. First, we introduce the general scheme to access the high‐valent ruthenium–oxo species, the key species of the water‐oxidation reaction. Next, the mechanisms of the OO bond formation from the active ruthenium–oxo species are described. We then discuss strategies to decrease the onset potentials of the water‐oxidation reaction. We hope this Focus Review will contribute to the further development of efficient catalysts toward sustainable energy‐conversion systems.
High‐Fidelity Recognition of RNA: Solution Structure of a DNA:RNA Hybrid Duplex with a Molecular Cap
Authors: Gerlach Claudia , Claasen Birgit , Richert Clemens 
Published: October 2014

AbstractBinding RNA targets, such as microRNAs, with high fidelity is challenging, particularly when the nucleobases to be bound are located at the terminus of the duplex between probe and target. Recently, a peptidyl chain terminating in a quinolone, called ogOA, was shown to act as a cap that enhances affinity and fidelity for RNAs, stabilizing duplexes with Watson–Crick pairing at their termini. Here we report the three‐dimensional structure of an intramolecular complex between a DNA strand featuring the ogOA cap and an RNA segment, solved by NMR and restrained torsion angle molecular dynamics. The quinolone stacks on the terminal base pair of the hybrid duplex, positioned by the peptidyl chain, whose prolinol residue induces a sharp bend between the 5′ terminus of the DNA chain and the glycine linked to the oxolinic acid residue. The structure explains why canonical base pairing is favored over hard‐to‐suppress mismatched base combinations, such as T:G and A:A, and helps to design improved high‐fidelity probes for RNA.
Effects of flavonoid quercetin on survival of motor neuron gene expression
Authors: Uzunallı Gözde , Bora‐Tatar Gamze , Dayangaç‐Erden Didem , Erdem‐Yurter Hayat 
Published: October 2014

AbstractSpinal muscular atrophy (SMA) is a progressive neurodegenerative disease that results in muscle weakness and atrophy. To attenuate disease severity, drug development studies have been applied mainly to target the Survival of Motor Neuron 2 (SMN2) gene, which is an important modifier of SMA. Although several compounds have been tested, there is still no cure for SMA. In this study, SMN2‐inducing effects of quercetin, an abundant flavonoid polyphenol in human diet, was investigated in the fibroblast cell lines of two SMA type I patients. Gene expression studies showed that quercetin upregulates SMN2 mRNA up to fourfold, but not the SMN protein level.
Sulfonated Core‐Shell Magnetic Nanoparticle (Fe3O4@SiO2@PrSO3H) as a Highly Active and Durable Protonic Acid Catalyst; Synthesis of Coumarin Derivatives through Pechmann Reaction
Authors: Esfahani Farhad Kabiri , Zareyee Daryoush , Yousefi Reza 
Published: October 2014

AbstractSulfonic acid supported silica coated magnetic nanoparticles (Fe3O4@SiO2@PrSO3H), was prepared by using low cost precursors and a facile immobilization technique. The final catalyst, which was characterized by XRD, FT‐IR, vibrating sample magnetometer (VSM), TEM, and TGA techniques, was found to be an efficient and environmentally benign solid acid for the Pechmann condensation of substituted phenols with ethyl acetoacetate leading to the formation of coumarin derivatives. After the reaction, the catalyst could be effortlessly separated by external magnet and reused for 22 consecutive runs, without any significant loss in catalytic efficiency. The catalytic system presented offers a reusable strategy for the efficient synthesis of coumarin, simplicity in operation, and a green reaction profile by avoiding toxic conventional catalysts and solvents.
Regioisomeric Effects on the Electronic Features of Indenothiophene‐Bridged D–π‐A′–A DSSC Sensitizers
Authors: Chou Shu‐Hua , Tsai Chih‐Hung , Wu Chung‐Chih , Kumar Dhirendra , Wong Ken‐Tsung 
Published: October 2014

AbstractTwo D–π‐A′–A regioisomers (A‐IDT‐D and D‐IDT‐A) featuring 4,4′‐di‐p‐tolyl‐4 H‐indeno[1,2‐b]‐thiophene as a π linker (π) between the diarylamino donor (D) and the pyrimidine–cyanoacrylic acid acceptor (A′–A) have been successfully synthesized and characterized as efficient sensitizers for the dye‐sensitized solar cells (DSSCs). The different arrangements of the D and A′–A blocks on the unsymmetrical indenothiophene (IDT) core render the dipole of IDT being along (A‐IDT‐D) or opposite (D‐IDT‐A) to the direction of intramolecular (donor‐to‐acceptor) charge transfer, and thus induce variations in the physical properties. The experimental observations correlated well with the theoretical analyses, clearly revealing the trade‐off between the molar extinction coefficient (ε) and the S0→S1 transition energy. As a result, a superior ε value was observed for D‐IDT‐A, whereas a bathochromic shift in the absorption occurred in A‐IDT‐D. The larger ε value of D‐IDT‐A together with its more favorable energy level relative to TiO2 led to a higher power conversion efficiency of 7.41 % for the D‐IDT‐A‐based DSSC, retaining approximately 95 % of the N719‐based DSSC efficiency. This work manifests the clear structure–property relationship for the case of donor and acceptor components being connected by an unsymmetrical π linker and provides insights for molecular engineering of organic sensitizers.
Synthesis and Biological Evaluation of a Class of Mitochondrially‐Targeted Gadolinium(III) Agents
Authors: Morrison Daniel E. , Aitken Jade B. , de Jonge Martin D. , Issa Fatiah , Harris Hugh H. , Rendina Louis M. 
Published: October 2014

AbstractA structure–activity relationship study of a library of novel bifunctional GdIII complexes covalently linked to arylphosphonium cations is reported. Such complexes have been designed for potential application in binary cancer therapies such as neutron capture therapy and photon activation therapy. A positive correlation was found between lipophilicity and cytotoxicity of the complexes. Mitochondria uptake was determined by means of inductively coupled plasma mass spectrometry (ICP‐MS), and Gd uptake was determined by means of quantification using synchrotron X‐ray fluorescence (XRF) imaging. A negative correlation between lipophilicity and tumour selectivity of the GdIII complexes was demonstrated. This study highlights the delicate balance required to minimise in vitro cytotoxicity and optimise in vitro tumour selectivity and mitochondrial localisation for this new class of mitochondrially‐targeted binary therapy agents. We also report the highest in vitro tumour selectivity for any Gd agent reported to date, with a T/N (tumour/normal cell) ratio of up to 23.5±6.6.
Delineating Binding Modes of Gal/GalNAc and Structural Elements of the Molecular Recognition of Tumor‐Associated Mucin Glycopeptides by the Human Macrophage Galactose‐Type Lectin
Authors: Marcelo Filipa , Garcia‐Martin Fayna , Matsushita Takahiko , Sardinha João , Coelho Helena , Oude‐Vrielink Anneloes , Koller Christiane , André Sabine , Cabrita Eurico J. , Gabius Hans‐Joachim , Nishimura Shin‐Ichiro , Jiménez‐Barbero Jesús , Cañada F. Javier 
Published: October 2014

AbstractThe human macrophage galactose‐type lectin (MGL) is a key physiological receptor for the carcinoma‐associated Tn antigen (GalNAc‐α‐1‐O‐Ser/Thr) in mucins. NMR and modeling‐based data on the molecular recognition features of synthetic Tn‐bearing glycopeptides by MGL are presented. Cognate epitopes on the sugar and matching key amino acids involved in the interaction were identified by saturation transfer difference (STD) NMR spectroscopy. Only the amino acids close to the glycosylation site in the peptides are involved in lectin contact. Moreover, control experiments with non‐glycosylated MUC1 peptides unequivocally showed that the sugar residue is essential for MGL binding, as is Ca2+. NMR data were complemented with molecular dynamics simulations and Corcema‐ST to establish a 3D view on the molecular recognition process between Gal, GalNAc, and the Tn‐presenting glycopeptides and MGL. Gal and GalNAc have a dual binding mode with opposite trend of the main interaction pattern and the differences in affinity can be explained by additional hydrogen bonds and CH–π contacts involving exclusively the NHAc moiety.
ChemInform Abstract: Crystal Structure of Magnesium Selenate Heptahydrate, MgSeO4·7H2O, from Neutron Time‐of‐Flight Data.
Authors: Fortes A. Dominic , Gutmann Matthias J. 
Published: October 2014

AbstractCrystals of MgSeO4·7H2O are obtained from an aqueous solution of MgO and H2SeO4 at 340 K, with a pH change from 0.11 to 8.8 indicating the completion of the reaction.
ChemInform Abstract: Crystal Structure of Bis(propane‐1,3‐diammonium) Hexafluoridoaluminate Fluoride Trihydrate.
Authors: Abdi I. , Al‐Sadhan K. A. , Ben Ali A. 
Published: October 2014

Abstract(H2dap)2[AlF6]F·3H2O (dap: 1,3‐diaminopropane) is prepared by solvothermal reaction of Al(OH)3, HF, and dap in EtOH (autoclave, 463 K).
ChemInform Abstract: Crystal Structure, Electronic and Physical Properties of Monoclinic RECuTe2 in Contrast to RECuSe2 (RE: Pr, Sm, Gd, Dy and Er).
Authors: Esmaeili Mehdi , Forbes Scott , Tseng Yu‐Chih , Mozharivskyj Yurij 
Published: October 2014

AbstractThe compounds LnCuTe2 (Ln: Gd, Dy, Er) are synthesized from the elements (annealing at 700—800 °C, 100 h) and characterized by single crystal XRD, electrical resistivity and Seebeck coefficient measurements, and TB‐LMTO‐ASA electronic band structure calculations.
ChemInform Abstract: Thermal Expansion and Phase Transitions of α‐AlF3.
Authors: Morelock Cody R. , Hancock Justin C. , Wilkinson Angus P. 
Published: October 2014

Abstractα‐AlF3 is prepared by thermal treatment of anhydrous AlF3 (Ni tube in evacuated quartz ampoule, 1338 K, 72 h).
ChemInform Abstract: New Quaternary Ge—Se—Sb—Ag Optical Materials: Blue Shift in Absorption Edge and Evaluation of Optical Parameters.
Authors: Sharma Pankaj , Dahshan A. , Aly K. A. 
Published: October 2014

AbstractBulk Ge20Se60Sb20‐xAgx (x = 0, 5, 10, 15, 20) chalcogenide glasses are prepared from the elements (silica ampule, 1273 K, 20 h) and their optical properties are determined by transmittance spectroscopy in the wavelength range of 400 to 2500 nm.
ChemInform Abstract: Solid‐State 69Ga and 71Ga NMR Study of the Nanoscale Inorganic Cluster [Ga13(μ3‐OH)6 (μ2‐OH)18(H2O)24] (NO3)15.
Authors: Ma Zayd L. , Wentz Katherine M. , Hammann Blake A. , Chang I‐Ya , Kamunde‐Devonish Maisha K. , Cheong Paul Ha‐Yeon , Johnson Darren W. , Terskikh Victor V. , Hayes Sophia E. 
Published: October 2014

AbstractColorless, blocklike crystals of the title cluster, envisioned as a solution‐processable material for thin film electronics, are prepared by slow evaporation of a mixture of Ga(NO3)3 dissolved in MeOH and N‐nitrosodibutylamine in air at room temperature.
ChemInform Abstract: Synthesis and Structural Characterization of Dense Polycrystalline Mg9Sn5, a Metastable Mg—Sn Phase.
Authors: Fong A. Y. , Xu H. , Page K. , Dirmyer M. R. , Kodera Y. , Obrey S. J. , Garay J. E. 
Published: October 2014

AbstractBulk dense polycrystalline (low porosity) Mg9Sn5 is prepared by ball milling of a stoichiometric powder mixtures of Mg and Sn (planetary ball mill, 450 rpm, incremental addition of Mg) followed by current activated pressure assisted densification (spark plasma sintering) with an applied mechanical pressure of 112 MPa and temperatures up to 600 °C.
ChemInform Abstract: Dimeric Complexes of Rare‐Earth Substituted Keggin‐Type Silicotungstates: Syntheses, Crystal Structure and Solid State Properties.
Authors: Saini Mukesh Kumar , Gupta Rakesh , Parbhakar Swati , Mishra Anil Kumar , Mathur Rashi , Hussain Firasat 
Published: October 2014

AbstractCompounds (IV) and (VI) are characterized by single crystal XRD, FTIR, UV/VIS, photoluminescence, 13C, and 1H NMR spectroscopy, and vibrating sample magnetometry.
ChemInform Abstract: Two New Helical Compounds Based on Keggin Clusters and N‐Donor Multidentate Ligand: Syntheses, Structures and Properties.
Authors: Zhou Shi , Liu Bo , Li Xiao‐Min , Shi Tian , Chen Ya‐Guang 
Published: October 2014

AbstractKeggin‐type polyoxometalate‐based inorganic‐organic hybrids [CuH3L2(GeMo12O40)] ·2H2O (I) and [CuH3L2(SiMo12O40)] ·2H2O (II) (L: 2,4,5‐tri(4‐pyridyl)‐imidazole) are prepared from Cu(O‐Ac)2, GeO2 or Na2SiO3, Na2MoO4, and L under hydrothermal conditions (autoclave, 170 °C, 5 d, 44% and 18% yield, resp.).
ChemInform Abstract: Preparation of Chiral Building Blocks for the Enantioselective Total Synthesis of ent‐Kauranoids by the Pig Liver Esterase‐Catalyzed Asymmetric Hydrolysis of a Dialkyl Malonate‐Type Prochiral Diester.
Authors: Namiki Yuji , Fujii Tomohiro , Nakada Masahisa 
Published: October 2014

AbstractThe chiral building block (III) is prepared by cyclization of precursor (I) followed by pig liver esterase catalyzed asymmetric hydrolysis of prochiral diester (II).
ChemInform Abstract: Tandem Regioselective Rhodium‐Catalyzed Hydroformylation—Enantioselective Aminocatalytic anti‐Mannich Reaction.
Authors: Diezel Sonja , Breit Bernhard 
Published: October 2014

AbstractThe enantioselective synthesis of β‐formyl amino acids from amidosulfones and olefins under high pressure is described.
ChemInform Abstract: A Broadly Applicable and Practical Oligomeric (Salen)Co Catalyst for Enantioselective Epoxide Ring‐Opening Reactions.
Authors: White David E. , Tadross Pamela M. , Lu Zhe , Jacobsen Eric N. 
Published: October 2014

AbstractThe oligomeric (salen)Co catalyst displays remarkable enhancements in reactivity and enantioselectivity relative to monomeric and other multimeric (salen)Co catalysts in enantioselective epoxide ring‐opening reactions.
ChemInform Abstract: Hydroarylation of Arynes Catalyzed by Silver for Biaryl Synthesis.
Authors: Lee Nam‐Kyu , Yun Sang Young , Mamidipalli Phani , Salzman Ryan M. , Lee Daesung , Zhou Tao , Xia Yuanzhi 
Published: October 2014

AbstractA new biaryl synthesis via silver‐catalyzed intra‐ and intermolecular hydroarylation of acyclic arynes with unactivated arenes is developed.