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https://www.readbyqxmd.com/read/28213900/c-h-direct-arylated-6h-indolo-2-3-b-quinoxaline-derivative-as-thickness-dependent-hole-injection-layer
#1
Dai Dong, Da Fang, Hairong Li, Caixia Zhu, Xianghua Zhao, Jiewei Li, Lingzhi Jin, Linghai Xie, Lin Chen, Jianfeng Zhao, Hongmei Zhang, Wei Huang
A novel perfluoro-1,4-phenylenyl 6H-indolo[2,3-b]quinoxaline derivative (TFBIQ) was designed and synthesized via C-H direct arylation. The opto-electrical properties of the obtained TFBIQ were fully characterized by UV-vis and photoluminescence, cyclic voltammetry, film morphology and Alq3-based green organic light emitting diodes (OLEDs). Device A using 0.5 nm thick TFBIQ as the interfacial modification layer exhibits the best five advantages of device performance including the lowest minimum turn-on voltage (Von) as low as 3...
February 18, 2017: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/28213230/the-pentafluorophenyl-stationary-phase-shows-a-unique-separation-efficiency-for-performing-fast-chromatography-determination-of-highbush-blueberry-anthocyanins
#2
Barbora Šmídová, Dalibor Šatínský, Kateřina Dostálová, Petr Solich
A high-performance liquid chromatography method using an alternative pentafluorophenyl (PFP) core-shell stationary phase has been developed and used for rapid separation of 23 anthocyanins in a highbush blueberry Bluehaven cultivar. A high efficiency of separation of anthocyanins was achieved in the core-shell column Kinetex PFP, 150×4.6mm (particle size 2.6µm) with a 5×4.6mm precolumn, using a simple linear gradient elution with a mobile phase of acetonitrile and a water solution of 2% formic acid at a flow rate of 1...
May 1, 2017: Talanta
https://www.readbyqxmd.com/read/28211669/3-aminomethyl-derivatives-of-2-phenylimidazo-1-2-a-pyridine-as-positive-allosteric-modulators-of-gabaa-receptor-with-potential-antipsychotic-activity
#3
Monika Marcinkowska, Marcin Kolaczkowski, Krzysztof Kamiński, Adam Bucki, Maciej Henryk Pawlowski, Agata Siwek, Tadeusz Karcz, Gabriela Starowicz, Karolina Sloczynska, Elżbieta Pękala, Anna Wesołowska, Jerzy Samochowiec, Paweł Mierzejewski, Przemyslaw Bienkowski
Schizophrenia is a mental illness characterized by behavioral changes as well as anatomical and neurochemical abnormalities. There has been a remarkable progress in the drug discovery for schizophrenia; however, antipsychotics that act through molecular targets, other than monoaminergic receptors, have not been developed. One of the hypotheses of schizophrenia states that GABAergic dysfunction might be implemented in the pathophysiology of this disease. Our recent findings and previous clinical observations have suggested that modulation of GABAergic system through α1-GABAA receptors would represent an original approach for the treatment of schizophrenia...
February 17, 2017: ACS Chemical Neuroscience
https://www.readbyqxmd.com/read/28210740/catalyst-free-synthesis-of-%C3%AE-fluoro-%C3%AE-hydroxy-ketones-%C3%AE-fluoro-ynols-via-electrophilic-fluorination-of-tertiary-propargyl-alcohols-using-selectfluor%C3%A2-f-teda-bf4
#4
Naganaboina Naveen, Rengarajan Balamurugan
A facile method for the synthesis of α-fluoro-β-hydroxy ketones/α-fluoro-ynols from tertiary propargyl alcohols under electrophilic fluorination conditions using F-TEDA-BF4 has been presented. The products bear pharmaceutically important α-fluoro ketone, gem-diaryl and fluorohydrin moieties in the same molecule. Interestingly, this catalyst free protocol results in monofluorination.
February 17, 2017: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/28210722/synthesis-radio-synthesis-and-in-vitro-evaluation-of-terminally-fluorinated-derivatives-of-hu-210-and-hu-211-as-novel-candidate-pet-tracers
#5
Chiara Zanato, Alessia Pelagalli, Katie F M Marwick, Monica Piras, Sergio Dall'Angelo, Andrea Spinaci, Roger G Pertwee, David J A Wyllie, Giles E Hardingham, Matteo Zanda
We report the synthesis of terminally fluorinated HU-210 and HU-211 analogues (HU-210F and HU-211F, respectively) and their biological evaluation as ligands of cannabinoid receptors (CB1 and CB2) and N-methyl d-aspartate receptor (NMDAR). [(18)F]-labelled HU-210F was radiosynthesised from the bromo-substituted precursor. In vitro assays showed that both HU-210F and HU-211F retain the potent pharmacological profile of HU-210 and HU-211, suggesting that [(18)F]-radiolabelled HU-210F and HU-211F could have potential as PET tracers for in vivo imaging...
February 17, 2017: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/28209906/first-evaluation-of-pet-based-human-biodistribution-and-dosimetry-of-18-f-faza-a-tracer-for-imaging-tumor-hypoxia
#6
Savi Annarita, Elena Incerti, Federico Fallanca, Valentino Bettinardi, Francesca Rossetti, Cristina Monterisi, Antonia Compierchio, Giampiero Negri, Piero Zannini, Luigi Gianolli, Maria Picchio
Fluorine-18 labelled fluoroazomycinarabinoside ((18)F-FAZA) is a positron emission tomography (PET) biomarker for non-invasive identification of regional tumor hypoxia. Aim of the present Phase I study was to firstly evaluate in non-small cell lung cancer patients the human biodistribution and dosimetry of (18)F-FAZA. Methods: Five patients awaiting surgical resection after histologically proven or radiologically suspected non-small cell lung cancer were prospectively enrolled for the study. The patients underwent a PET/computed tomography (CT) study after the injection of 371±32 MBq of (18)F-FAZA...
February 16, 2017: Journal of Nuclear Medicine: Official Publication, Society of Nuclear Medicine
https://www.readbyqxmd.com/read/28209535/isotopic-effects-in-mechanistic-studies-of-biotransformations-of-fluorine-derivatives-of-l-alanine-catalysed-by-l-alanine-dehydrogenase
#7
Jolanta Szymańska-Majchrzak, Katarzyna Pałka, Marianna Kańska
Synthesis of 3-fluoro-[2-(2)H]-L-alanine (3-F-[(2)H]-L-Ala) in reductive amination of 3-fluoropyruvic acid catalysed by L-alanine dehydrogenase (AlaDH) was described. Fluorine derivative was used to study oxidative deamination catalysed by AlaDH applied kinetic (for 3-F-L-Ala in H2O - KIE's on Vmax: 1.1; on Vmax/KM: 1.2; for 3-F-L-Ala in (2)H2O - on Vmax: 1.4; on Vmax/KM: 2.1) and solvent isotope effect methods (for 3-F-L-Ala - SIE's on Vmax: 1.0; on Vmax/KM: 0.87; for 3-F-[2-(2)H]-L-Ala - on Vmax: 1.4; on Vmax/KM: 1...
February 12, 2017: Applied Radiation and Isotopes
https://www.readbyqxmd.com/read/28209055/pd-ii-catalyzed-enantioselective-c-sp3-h-borylation
#8
Jian He, Qian Shao, Qingfeng Wu, Jin-Quan Yu
Pd(II)-catalyzed enantioselective borylation of C(sp3)-H bonds has been realized for the first time using chiral acetyl-protected aminomethyl oxazolines ligands. This reaction is compatible with carbocyclic amides containing α-tertiary as well as α-quaternary carbon centers. The chiral β-borylated amides are useful synthons for the synthesis of chiral β-hydroxylated, β-fluorinated, and β-arylated carboxylic acids.
February 17, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28209029/synthesis-and-electrochemical-property-of-limn2o4-porous-hollow-nanofiber-as-cathode-for-lithium-ion-batteries
#9
Lianfeng Duan, Xueyu Zhang, Kaiqiang Yue, Yue Wu, Jian Zhuang, Wei Lü
The LiMn2O4 hollow nanofibers with a porous structure have been synthesized by modified electrospinning techniques and subsequent thermal treatment. The precursors were electrospun directly onto the fluorine-doped tin oxide (FTO) glass. The heating rate and FTO as substrate play key roles on preparing porous hollow nanofiber. As cathode materials for lithium-ion batteries (LIBs), LiMn2O4 hollow nanofibers showed the high specific capacity of 125.9 mAh/g at 0.1 C and a stable cycling performance, 105.2 mAh/g after 400 cycles...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28208405/translational-diffusion-across-a-free-standing-smectic-film-above-the-bulk-smectic-a-isotropic-transition-temperature
#10
Izabela Śliwa, A V Zakharov
Calculations of translational self-diffusion coefficient in free-standing smectic films during a series of layer-thinning transitions as the temperature is raised above the bulk smectic-A-isotropic transition have been carried out. A molecular model based upon the random walk theory is applied for calculating the translational diffusion coefficient (TDC) D_{∥} across the smectic film both in the bulk of the film, as well as in the vicinity of the bounding surfaces. Calculations of D_{∥} require the set of the orientational and translational order parameters (OPs) which have been obtained by using the extended McMillan approach with anisotropic forces...
January 2017: Physical Review. E
https://www.readbyqxmd.com/read/28208286/derivatization-technique-to-identify-specifically-carbonyl-groups-by-infrared-spectroscopy-characterization-of-photooxidative-aging-products-in-terpenes-and-terpeneous-resins
#11
Stefan Zumbühl, Andreas Brändle, Andreas Hochuli, Nadim C Scherrer, Walter Caseri
Analysis of bioorganic materials by infrared spectroscopy (FT-IR) is frequently limited due to overlapping of diagnostic bands from the various components, which poses a fundamental problem to this analytical technique. The distinction of oxidized di- and triterpenes, for example, is hindered by the superposition of similar absorption bands of carbonyl functional groups summing up to a broad, nondistinctive signal. This study presents a technique for selective fluorination of various carboxylic acids by exposure to gaseous sulfur tetrafluoride...
February 7, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28204944/photodissociation-of-fono-an-excited-state-nonadiabatic-dynamics-study
#12
Allaa R Hilal, Rifaat Hilal
The photo dissociation of nitrosyl fluorite, FONO, a potential source of atmospheric fluorine, underlies its active role in ozone depletion and other activities in the troposphere. In the present work, the electronic structure of FONO is revisited at high level of ab initio and density functional theory (DFT) theoretical levels. Several different post SCF methods were used to compute excited states, vertical excitation energies and intensities, namely configuration interaction with single excitations (CIS), equation of motion coupled cluster with single and double excitations (EOM-CCSD), and symmetry adopted cluster configuration interaction (SAC-CI) methods...
March 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28201898/a-rayleighian-approach-for-modeling-kinetics-of-ionic-transport-in-polymeric-media
#13
Rajeev Kumar, Jyoti P Mahalik, Vera Bocharova, Eric W Stacy, Catalin Gainaru, Tomonori Saito, Mallory P Gobet, Steve Greenbaum, Bobby G Sumpter, Alexei P Sokolov
We report a theoretical approach for analyzing impedance of ionic liquids (ILs) and charged polymers such as polymerized ionic liquids (PolyILs) within linear response. The approach is based on the Rayleigh dissipation function formalism, which provides a computational framework for a systematic study of various factors, including polymer dynamics, in affecting the impedance. We present an analytical expression for the impedance within linear response by constructing a one-dimensional model for ionic transport in ILs/PolyILs...
February 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28199299/enzyme-mechanisms-fickle-about-fluorine
#14
Caitlin Deane
No abstract text is available yet for this article.
February 15, 2017: Nature Chemical Biology
https://www.readbyqxmd.com/read/28198587/hexaphyrin-as-a-potential-theranostic-dye-for-photothermal-therapy-and-19f-magnetic-resonance-imaging
#15
Tomohiro Higashino, Hirotaka Nakatsuji, Ryosuke Fukuda, Haruki Okamoto, Hirohiko Imai, Tetsuya Matsuda, Hidehito Tochio, Masahiro Shirakawa, Nikolai Tkachenko, Mitsuru Hashida, Tatsuya Murakami, Hiroshi Imahori
meso-Aryl substituted expanded porphyrins have two potential key features suitable for theranostic agents, excellent absorption in near infrared (NIR) region and possible introduction of multiple fluorine atoms at structurally nearly equivalent positions. Herein, hexaphyrin (hexa) was synthesized using 2,6-bis(trifluoromethyl)-4-formyl benzoate and pyrrole and evaluated as a novel theranostic expanded porphyrin possessing the above key features. Under NIR light illumination hexa showed intense photothermal and weak photodynamic effects, which were most likely due to its low-lying excited states close to a singlet oxygen...
February 15, 2017: Chembiochem: a European Journal of Chemical Biology
https://www.readbyqxmd.com/read/28198519/correlation-of-hypoxia-inducible-transcription-factor-in-breast-cancer-and-suvmax-of-f-18-fdg-pet-ct
#16
Young-Ju Jeong, Jae-Won Jung, Yoon-Young Cho, Sung-Hwan Park, Hoon-Kyu Oh, Sungmin Kang
BACKGROUND: Tumor hypoxia induces the expression of several genes via the hypoxia-inducible transcription factor-1 alpha (HIF-1a). It is associated with the prognosis of several cancers. We studied the immunohistochemical expression of HIF-1a in patients with invasive ductal cancer (IDC) of the breast and the possible correlation with the maximum standardized uptake value of the primary tumor (pSUVmax) as well as other biological parameters. Prognostic significance of pSUVmax and expression of HIF-1a for the prediction of progression-free survival (PFS) was also assessed...
2017: Nuclear Medicine Review. Central & Eastern Europe
https://www.readbyqxmd.com/read/28198426/the-biophysical-probes-2-fluorohistidine-and-4-fluorohistidine-spectroscopic-signatures-and-molecular-properties
#17
Chandana Kasireddy, Jonathan M Ellis, James G Bann, Katie R Mitchell-Koch
Fluorinated amino acids serve as valuable biological probes, by reporting on local protein structure and dynamics through (19)F NMR chemical shifts. 2-fluorohistidine and 4-fluorohistidine, studied here with DFT methods, have even more capabilities for biophysical studies, as their altered pKa values, relative to histidine, allow for studies of the role of proton transfer and tautomeric state in enzymatic mechanisms. Considering the two tautomeric forms of histidine, it was found that 2-fluorohistidine primarily forms the common (for histidine) τ-tautomer at neutral pH, while 4-fluorohistidine exclusively forms the less common π-tautomer...
February 15, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28197704/effect-of-quaternary-ammonium-salts-with-fluorine-atoms-on-selected-weed-species
#18
Robert Biczak, Barbara Pawłowska, Maciej Płatkowski, Michał Stręk, Arkadiusz Telesiński
This study investigated the effects of four structurally different quaternary ammonium salts (QASs), i.e., tetrabutylammonium tetrafluoroborate [TBA][BF4], tetrahexylammonium tetrafluoroborate [THA][BF4], tetrabutylammonium hexafluorophosphate [TBA][PF6], and tetrahexylammonium hexafluorophosphate [THA][PF6], on the growth and development of three weed species: gallant soldier (Galinsoga parviflora Cav.), white goosefoot (Chenopodium album L.) and common sorrel (Rumex acetosa L.). The examined compounds were applied in the form of foliar spraying and soil application...
February 14, 2017: Bulletin of Environmental Contamination and Toxicology
https://www.readbyqxmd.com/read/28197317/comparison-of-fluorinated-and-nonfluorinated-lipids-in-self-adjuvanting-delivery-systems-for-peptide-based-vaccines
#19
Waleed M Hussein, Saori Mukaida, Fazren Azmi, Stacey Bartlett, Celine Olivier, Michael R Batzloff, Michael F Good, Mariusz Skwarczynski, Istvan Toth
Safe immunostimulants (adjuvants) are essential for the development of highly potent peptide-based vaccines. This study examined for the first time whether fluorinated lipids could stimulate humoral immunity in vivo when conjugated to peptide antigen. The impact of fluorination on humoral immunity was tested using a library of peptide-based vaccine candidates against the group A streptococcus (GAS). The fluorinated constructs stimulated similar mouse IgG titers to those elicited by complete Freund's adjuvant (CFA) and were higher than those produced in mice that received the nonfluorinated constructs...
February 9, 2017: ACS Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28195731/nucleophilic-aromatic-substitution-reactions-described-by-the-local-electron-attachment-energy
#20
Joakim Halldin Stenlid, Tore Brinck
A local multi-orbital electrophilicity descriptor, the local electron attachment energy [E(r)], is used to study the nucleophilic aromatic substitution reactions of SNAr and VNS (vicarious nucleophilic substitution). The E(r) considers all virtual orbitals below the free electron limit and is determined on the molecular isodensity contour of 0.004 a.u. Good (R2=0.83) to excellent (R2=0.98) correlations are found between descriptor values and experimental reactivity data for six series of electron-deficient arenes...
February 14, 2017: Journal of Organic Chemistry
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