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Journal articles on the topic '5F analysis'

Author: Grafiati

Published: 4 June 2021

Last updated: 18 February 2022

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1

Bachliński, Robert, and Agnieszka Mroczek. "Identification of a synthetic cannabinoid 5F-NPB-22 (indazole analog 5F-PB-22) by gas chromatography/mass spectrometry (GC/MS) method." Issues of Forensic Science 293 (2016): 56–67. http://dx.doi.org/10.34836/pk.2016.293.1.

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This article presents the problem of transesterification of a synthetic cannabinoid 5F-NPB-22 and other structurally related indazole and indole-based compounds, such as NPB-22, 5F-PB-22, BB-22 and PB-22, caused by methanol – a solvent commonly applied in gas chromatography/mass spectrometry (GC/MS) analysis. The above process can result in drawing incorrect conclusions about the composition of analyzed product, due to the formation of ester compounds, which mainly affects the reliability of results. In the present study, in addition to the mixture of methanol and toluene, as well toluene alon

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2

Dwi Widayati, Rieska, Tanti Tanti, Erlana Nindya Maulida, and Martin Luther Silubun. "Identification of Synthetic Cannabinoid 5F-ADB (5F-MDMB-PINACA) and Its Metabolite in Urine Sample Using Liquid Chromatography – High Resolution Mass Spectrometer (LC-HRMS)." Journal of Pure and Applied Chemistry Research 9, no. 2 (2020): 91–97. http://dx.doi.org/10.21776/ub.jpacr.2020.009.02.537.

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Synthetic cannabinoids are commonly known as Gorillas Tobacco, Hanomans Tobacco or Ganeshas Tobacco in Indonesia. Those products are camouflaged as a tobacco related to the number of smokers in Indonesia. The 5F-ADB (5F-MDMB-PINACA) has become an issue since 2016. It was undetectable by conventional drug testing methodology such as immunoassay method. GC-MS as a routine method analysis is not recommended also for detecting the metabolites from biological specimen with low concentration. The paper report LC-HRMS based method for identification of 5F-ADB and its metabolites in urine sample. Vari

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Carlier, Jeremy, Xingxing Diao, Karl B. Scheidweiler, and Marilyn A. Huestis. "Distinguishing Intake of New Synthetic Cannabinoids ADB-PINACA and 5F-ADB-PINACA with Human Hepatocyte Metabolites and High-Resolution Mass Spectrometry." Clinical Chemistry 63, no. 5 (2017): 1008–21. http://dx.doi.org/10.1373/clinchem.2016.267575.

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Abstract BACKGROUND ADB-PINACA and its 5-fluoropentyl analog 5F-ADB-PINACA are among the most potent synthetic cannabinoids tested to date, with several severe intoxication cases. ADB-PINACA and 5F-ADB-PINACA have a different legal status, depending on the country. Synthetic cannabinoid metabolites predominate in urine, making detection of specific metabolites the most reliable way for proving intake in clinical and forensic specimens. However, there are currently no data on ADB-PINACA and 5F-PINACA metabolism. The substitution of a single fluorine atom distinguishes the 2 molecules, which may

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Tobin, J. G., S. Nowak, S. W. Yu, et al. "The Limitations of 5f Delocalization and Dispersion." Applied Sciences 11, no. 9 (2021): 3882. http://dx.doi.org/10.3390/app11093882.

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Delocalization in the 5f states of the actinides is an important phenomenon, but poorly quantified. Here, the fundamental limitations of 5f dispersion measurements using angle and momentum resolved variants of photoelectron spectroscopy will be discussed. A novel approach will be suggested, based on a theoretical projection, which should circumvent these limitations: M4,5 X-ray emission spectroscopy. This analysis will utilize the case study of U metal, which can be considered to be the paramount example of 5f dispersion.

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Karbowiak, Mirosław. "5f3→ 5f 26d1Absorption Spectrum Analysis of U3+−SrCl2." Journal of Physical Chemistry A 109, no. 16 (2005): 3569–77. http://dx.doi.org/10.1021/jp044690v.

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6

Kerridge, Andrew. "f-Orbital covalency in the actinocenes (An = Th–Cm): multiconfigurational studies and topological analysis." RSC Adv. 4, no. 24 (2014): 12078–86. http://dx.doi.org/10.1039/c3ra47088a.

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7

Reddy, Chada Raji, Muppidi Subbarao, Jonnalagadda Vijaykumar, et al. "One-Pot Synthesis of Triazolo-Heterolignans: Biological Evaluation and Molecular Docking Studies as Tubulin Inhibitors." Anti-Cancer Agents in Medicinal Chemistry 18, no. 12 (2019): 1702–10. http://dx.doi.org/10.2174/1871520618666180718104647.

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Background: The anti-mitotic activity of podophyllotoxin derivative targeting tubulin enzyme proved them as strong polymerization inhibitors. The introduction of heteroatom along with different heteroaryl systems in naturally obtained lignans created a latitude for design of bioactive components. A novel one-pot sequential propargylation/cycloaddition reaction strategy has been followed to synthesize triazolo-heterolignans. Objective: To screen anti-proliferative activity of novel heterolignans and to determine their mode of action. Method: SRB assay, Cytotoxicity evaluation, PI uptake for ana

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8

Šibor, Jiří, Dalimil Žůrek, Radek Marek, et al. "2-(3-Acylselenoureido)benzonitriles and 2-(3-Acylselenoureido)thiophene-3-carbonitriles. Preparation, Structure Elucidation, Cyclization and Retrocyclization Reactions." Collection of Czechoslovak Chemical Communications 64, no. 10 (1999): 1673–95. http://dx.doi.org/10.1135/cccc19991673.

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Synthesis of 2-(3-acylselenoureido)benzonitriles and 2-(3-acylselenoureido)thiophene- 3-carbonitriles 5a-5f by addition of 2-aminonitriles 4a-4c to benzoyl- or 2,2-dimethyl- propanoylisoselenocyanate and their cycloaddition reactions are described. Structures of compounds 5a-5f were supported by CIMS, FTIR, 1H, 13C, 77Se and 15N NMR spectra. The parameters of 15N and 77Se nuclei were obtained from inverse 1H-X 2D HMBC and GSQMBC correlation experiments at natural abundance. Structure of compound 5b was confirmed by X-ray analysis. The geometry of 5b was optimized by ab initio RHF/DZVP quantum

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9

Giorgetti, Arianna, Lukas Mogler, Sebastian Halter, et al. "Four cases of death involving the novel synthetic cannabinoid 5F-Cumyl-PEGACLONE." Forensic Toxicology 38, no. 2 (2019): 314–26. http://dx.doi.org/10.1007/s11419-019-00514-w.

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Abstract Purpose Cumyl-PEGACLONE was the first synthetic cannabinoid (SC) with a γ-carbolinone core structure detected in forensic casework and, since then, it has dominated the German SC-market. Here the first four cases of death involving its fluorinated analog, 5F-Cumyl-PEGACLONE, a recently emerged γ-carbolinone derived SC, are reported. Methods Complete postmortem examinations were performed. Postmortem samples were screened by immunoassay, gas chromatography mass spectrometry (GC–MS) or liquid chromatography tandem mass spectrometry. For quantification of SCs, the standard addition metho

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Gartner, W., G. Vila, T. Daneva, et al. "New functional aspects of the neuroendocrine marker secretagogin based on the characterization of its rat homolog." American Journal of Physiology-Endocrinology and Metabolism 293, no. 1 (2007): E347—E354. http://dx.doi.org/10.1152/ajpendo.00055.2007.

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Secretagogin is a recently cloned human β-cell-expressed EF-hand Ca2+-binding protein. Converging evidence indicates that it exerts Ca2+sensor activity and is involved in regulation of insulin synthesis and secretion. To obtain a potent tool for the extension of its functional analysis in rat in vitro systems, we cloned the rat homolog of human secretagogin. Using comparative sequence analysis, immunostaining, and immunoblotting, we demonstrated a high degree of sequence homology and similar tissue expression patterns of human and rat secretagogin. Highest rat secretagogin expression levels we

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Ohba, Hiroyoshi, Takatoshi Soga, Takanori Tomozawa, et al. "An immunodominant neutralization epitope on the ‘thumb’ subdomain of human immunodeficiency virus type 1 reverse transcriptase revealed by phage display antibodies." Journal of General Virology 82, no. 4 (2001): 813–20. http://dx.doi.org/10.1099/0022-1317-82-4-813.

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An antibody phage display library was produced from the splenocytes of mice immunized with an infectious vaccinia virus recombinant (WRRT) expressing the reverse transcriptase (RT) of human immunodeficiency virus type 1 (HIV-1). The library was panned against HIV-1 RT. Two clones, 5F and 5G, which produced Fab fragments specific for RT, were isolated. Surprisingly, both 5F and 5G Fab fragments were capable of strongly inhibiting the RNA-dependent DNA polymerase activity of HIV-1 RT. A hybridoma cell line that produces the monoclonal antibody 7C4, which strongly inhibits RT activity, was establ

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Havela, Ladislav, Mykhaylo Paukov, Ilya Tkach, et al. "Strong 5f Ferromagnetism in UH3-Based Materials." MRS Advances 1, no. 44 (2016): 2987–92. http://dx.doi.org/10.1557/adv.2016.287.

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ABSTRACT Several diverse types of UH3-based hydrides can be prepared by hydrogenation of bcc U-based alloys. Pair Distribution Function (PDF) analysis using high-energy X-rays identified that the (UH3)1-x Mo x hydrides are nanocrystalline, with the structure motif based mainly on the β-UH3 structure. α-UH3 represents a minority component. On the other hand, PDF of the (UH3)1-x Zr x hydrides corresponds well to the α-UH3 crystal structure. All the hydrides are ferromagnetic, with the Curie temperature T C reaching up to 203 K.

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Hvozdovich, Jessica A., Chris W. Chronister, Barry K. Logan, and Bruce A. Goldberger. "Case Report: Synthetic Cannabinoid Deaths in State of Florida Prisoners." Journal of Analytical Toxicology 44, no. 3 (2020): 298–300. http://dx.doi.org/10.1093/jat/bkz092.

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Abstract Between March 2017 and November 2018, 54 prisoner fatal overdose cases submitted to the University of Florida Forensic Toxicology Laboratory involved synthetic cannabinoids including 5F-ADB, FUB-AMB, 5F-AMB, MDMB-FUBINACA and AB-CHMINACA. Analysis of blood and urine samples was performed at NMS Labs (Horsham, PA) by liquid chromatography/tandem mass spectrometry screening, confirmatory and quantitative methods validated according to Scientific Working Group for Forensic Toxicology guidelines. This work highlights the importance of effective communication between toxicologists and medi

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14

Um, Ik-Hwan, Ji-Hyun Song, Ae-Ri Bae, and Julian M. Dust. "Unexpected medium effect on the mechanism for aminolysis of aryl phenyl carbonates in acetonitrile and H2O: transition-state structure in the catalytic pathway." Canadian Journal of Chemistry 96, no. 12 (2018): 1011–20. http://dx.doi.org/10.1139/cjc-2018-0204.

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Upward curvature in the kinetic plots of pseudo first-order rate constants (kobsd) vs. [amine] for the aminolysis of aryl phenyl carbonates (5a–5j) in MeCN demonstrates that these reactions proceed via a zwitterionic tetrahedral intermediate (T±) that partitions between catalyzed and uncatalyzed routes to give the products. Yukawa–Tsuno plots for the reactions of 5a–5j with piperidine result in excellent linear correlations with ρY = 4.82 and r = 0.47 for the uncatalyzed reaction versus ρY = 2.21 and r = 0.21 for the catalyzed reaction. Brønsted plots for reactions of 4-(ethoxycarbonyl)-phenyl

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15

KR, McCain, Jones JO, Chilbert KT, Patton AL, James LP, and Moran JH. "Impaired Driving Associated with the Synthetic Cannabinoid 5F-ADB." Journal of Forensic Science & Criminology 6, no. 1 (2018): 1–4. http://dx.doi.org/10.15744/2348-9804.6.105.

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Synthetic marijuana compounds are more potent than Δ9-tetrahydrocannabinol (Δ9-THC) and are known to produce a wide variety of clinical symptoms including cardiac toxicity, seizures, and death. Erratic driving by a 45 y/o male was witnessed in the fall of 2017 and roadside evaluation of the driver by the responding law enforcement officer concluded that the driver was intoxicated. Comprehensive analysis of the cigarettes by gas chromatography-mass spectrometry detected the synthetic cannabinoid 5-fluoro-ADB (5F-ADB or 5F-MDMB-PINACA). Validated forensic liquid chromatography-tandem mass spectr

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Kreiter, Cornelius G., Eduard Michels, and Jürgen Kaub. "Chrom(0)-und Molybdän(0)-Komplexe von 11-Isopropyliden-bicyclo[4.4.1]undeca-2,4,8-trienen / Chromium(0) and Molybdenum(0) Complexes of 11-Isopropylidene-bicyclo[4.4. 1]undeca-2,4,8-trienes." Zeitschrift für Naturforschung B 41, no. 6 (1986): 722–30. http://dx.doi.org/10.1515/znb-1986-0610.

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11-Isopropylidene-bicyclo[4.4.1]undeca-2,4,8-triene (IBU, 1A) and five alkyl substituted derivatives (1B-1F) contain a conjugated diene unit and two isolated CC-double bonds, one exocyclic and one incorporated into the bicvclus, each suited for complexation to transition metals. With [Cr(CO)3(CH3CN)3] (2) 1A-1F form [Cr(CO)3(η6-IBU)] complexes (3A−3F). in which the IBU ligands are coordinated to the chromium via the diene unit and the exocyclic CC-double bond. The corresponding [Mo(CO)3(η6-IBU)] complexes (5A−5F) are obtained from the reactions of [Mo(CO)3(diglyme)] (4) with 1A−1F. In additio

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Yurttaş, Leyla, Asaf Evrim Evren, Aslıhan Kubilay, Halide Edip Temel, and Gülşen Akalın Çiftçi. "3,4,5-Trisubstituted-1,2,4-triazole Derivatives as Antiproliferative Agents: Synthesis, In vitro Evaluation and Molecular Modelling." Letters in Drug Design & Discovery 17, no. 12 (2020): 1502–15. http://dx.doi.org/10.2174/1570180817999200712190831.

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Background: Cancer is the name given to various diseases that are mainly uncontrolled, related to cell growth and can affect various organs. Among them, lung cancer is the one, which, in its earliest stages, is difficult to diagnose, and it is asymptomatic until the disease progresses. Triazole ring is an important heterocyclic ring known with various pharmacological activities. Objective: It is aimed to synthesize and characterize novel 1,2,4-triazole derivatives and screen them for in vitro antiproliferative activity and binding analysis through docking studies. Method: In this study, we hav

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Friedman, Alan D., Wan Yee Leong, Hong Guo, Ou Ma, Alan B. Cantor, and Hui Huang. "Src Kinase Can Activate RUNX1 Activity Via Phosphorylation Of C-Terminal Tyrosines and Activated RUNX1 Stimulates Granulopoiesis." Blood 122, no. 21 (2013): 1210. http://dx.doi.org/10.1182/blood.v122.21.1210.1210.

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Abstract We demonstrated that G-CSF signaling in lineage-negative marrow myeloid progenitors induces C-terminal SHP2 tyrosine phosphorylation more potently than does M-CSF signaling and that SHP2 knockdown in marrow or in the 32Dcl3 cell line reduces Cebpa gene transcription and impairs granulopoiesis.1,2 We also found that Runx1 directly activates Cebpa transcription via promoter elements and via a +37 kb enhancer and that Runx1 gene deletion reduces Cebpa mRNA and impairs granulopoiesis.3 Runx1 is phosphorylated by Src kinase on five tyrosines and dephosphorylated by SHP2, and RUNX1(5F) enha

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Karaçetin, Didem, Aydın Çakır, Fulya Ağaoğlu, et al. "Dose distribution in 3-dimensional conformal radiotherapy for prostate cancer: comparison of femur doses for four treatment techniques." Journal of Radiotherapy in Practice 9, no. 1 (2010): 41–51. http://dx.doi.org/10.1017/s1460396909990185.

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AbstractPurpose: Conformal radiotherapy of the prostate is an increasingly common technique in the treatment of prostate cancer. When using 3D conformal radiotherapy (CFRT) methods, it is desirable to protect the vital structures such as bladder, rectum, and femur. In this study, our aim was to compare the femur head doses resulting from co-planar beam arrangements in four-field (4F), five-field (5F), six-field (6F) and seven-field (7F) treatment plans, in a dose-escalated CFRT schedule.Materials and Methods: From January 2005 to December 2006, at Istanbul University Medical Faculty of Radiati

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Stunault, A., C. Vettier, F. de Bergevin, et al. "Polarization analysis in the 3–25 keV range at the ESRF magnetic scattering beamline." Journal of Synchrotron Radiation 5, no. 3 (1998): 1010–12. http://dx.doi.org/10.1107/s0909049597020128.

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The ESRF magnetic scattering beamline has been optimized for easy tunability of the polarization and energy in the 3–40 keV range. The linear horizontal polarization from the undulator reaches 99.9%, with a flux of ∼1012 photons s−1 at the sample. The diffractometer can operate in horizontal and vertical geometries, with an energy or polarization analyser. The capabilities of this beamline in terms of flux, energy tunability and polarization, permitted polarization analysis of resonant magnetic scattering from antiferromagnetic UPd2Si2 at both the L 2- and M 4-edges of uranium, to separate the

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Cai, Dong, Tai Li, Qian Xie, et al. "Synthesis, Characterization, and Biological Evaluation of Novel 7-Oxo-7H-thiazolo[3,2-b]-1,2,4-triazine-2-carboxylic Acid Derivatives." Molecules 25, no. 6 (2020): 1307. http://dx.doi.org/10.3390/molecules25061307.

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A series of novel 7-oxo-7H-thiazolo[3,2-b]-1,2,4-triazine-2-carboxylic acid derivatives was synthesized in good yields by a multi-step procedure that included the generation of the S-alkylated derivatives from 6-substituted arylmethyl-3-mercapto-1,2,4-triazin-5-ones with ethyl 2-chloroacetoacetate, intramolecular cyclization with microwave irradiation, hydrolysis and amidation. All of the target compounds were fully characterized through 1H-NMR, 13C-NMR and HRMS spectra. The intramolecular cyclization occurred regioselectively at the N2-position of 1,2,4-triazine ring, which was confirmed by c

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Markov, Andrey V., Aleksandra V. Sen’kova, Irina I. Popadyuk та ін. "Novel 3′-Substituted-1′,2′,4′-Oxadiazole Derivatives of 18βH-Glycyrrhetinic Acid and Their O-Acylated Amidoximes: Synthesis and Evaluation of Antitumor and Anti-Inflammatory Potential In Vitro and In Vivo". International Journal of Molecular Sciences 21, № 10 (2020): 3511. http://dx.doi.org/10.3390/ijms21103511.

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A series of novel 18βH-glycyrrhetinic acid (GA) derivatives containing 3′-(alkyl/phenyl/pyridin(-2″, -3″, and -4″)-yl)-1′,2′,4′-oxadiazole moieties at the C-30 position were synthesized by condensation of triterpenoid’s carboxyl group with corresponding amidoximes and further cyclization. Screening of the cytotoxicity of novel GA derivatives on a panel of tumor cell lines showed that the 3-acetoxy triterpenoid intermediates—O-acylated amidoxime 3a-h—display better solubility under bioassay conditions and more pronounced cytotoxicity compared to their 1′,2′,4′-oxadiazole analogs 4f-h (median IC

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Begum, Nurun Nahar Fatema, Nazmul Islam Bhuiyan, and Ashfaque Ahemmed Khan. "Stenting of Right Ventricular Out Flow Tract: Analysis of 32 Cases from Catheterization Laboratory of a Paediatric Cardiac Centre." Bangladesh Heart Journal 35, no. 1 (2020): 1–5. http://dx.doi.org/10.3329/bhj.v35i1.49136.

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Introduction: The objectives of the present study are to describe the institutional experience, technical aspects and outcome of right ventricular outflow tract (RVOT) stenting in Tetralogy of Fallot type lesions as the initial palliation in a Bangladeshi centre. Methods: This is a retrospective, single-center study of nonrandomized, consecutive 32 patients over a 12-year period. Selected patients underwent cardiac catheterization for implanting a stent into an obstructed RVOT to improve pulmonary blood flow.Statistical data analysis was performed using SPSS 20. Results: Thirty cas

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Hanif, M., M. Aslam, M. Riaz, S. A. Bhatti, and M. A. Baig. "Laser optogalvanic measurements and line-shape analysis of 5p57p and 5p54–5f autoionizing resonances in xenon." Journal of Physics B: Atomic, Molecular and Optical Physics 38, no. 2 (2005): S65—S75. http://dx.doi.org/10.1088/0953-4075/38/2/005.

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Imai, Shinichi, and Kunihide Tachibana. "Analysis of Product Species in Capacitively Coupled C 5F 8 Plasma by Electron Attachment Mass Spectroscopy." Japanese Journal of Applied Physics 38, Part 2, No. 8A (1999): L888—L891. http://dx.doi.org/10.1143/jjap.38.l888.

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Hamidian, Hooshang. "Synthesis of Novel Compounds as New Potent Tyrosinase Inhibitors." BioMed Research International 2013 (2013): 1–7. http://dx.doi.org/10.1155/2013/207181.

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In the present paper, we report the synthesis and pharmacological evaluation of a new series of azo compounds with different groups (1-naphthol, 2-naphthol, andN,N-dimethylaniline) and trifluoromethoxy and fluoro substituents in the scaffold. All synthesized compounds (5a–5f) showed the most potent mushroom tyrosinase inhibition (IC50values in the range of 4.39 ± 0.76–1.71 ± 0.49 µM), comparable to the kojic acid, as reference standard inhibitor. All the novel compounds were characterized by FT-IR,1H NMR,13C NMR, and elemental analysis.

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Wang, Xian-Feng, Min Chen, Li-Zhi Zhang, Zheng Zhao, and Chun-Long Yang. "Synthesis, characterization and bioactivity of novel 5,6-dihydropyrrolo[3,4-c]pyrazol-4- (1H)one derivatives." Heterocyclic Communications 21, no. 6 (2015): 361–66. http://dx.doi.org/10.1515/hc-2015-0045.

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AbstractA series of novel 6-(sec-butyl)-3-methyl-1-(substituted phenyl)-5,6- dihydropyrrolo[3,4-c]pyrazol-4-(1H)ones 5a–h were synthesized using L-isoleucine methyl ester hydrochloride as the starting material. Their structures were characterized by 1H NMR, FT-IR, EI-MS and elemental analysis. Compound 5f was further analyzed by single-crystal X-ray diffraction. The bioassay results indicate that most of the compounds exhibit inhibitory activity against four plant pathogenic fungi Fusarium graminearum, Botrytis cinerea, Rhizoctonia cerealis and Colletotrichumcapsici.

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Salgado, Jesús F., Silvia Moscoso, and Mario Lado. "Evidence of cross‐cultural invariance of the big five personality dimensions in work settings." European Journal of Personality 17, no. 1_suppl (2003): S67—S76. http://dx.doi.org/10.1002/per.482.

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This article explores the cross‐cultural invariance (construct validity) of two work‐related personality inventories based upon the Five Factor Model (the HPI and the IP/5F). The results show a good convergent and discriminant validity between scales that measure the Big Five personality dimensions. A factor analysis indicates that all personality scales load on the hypothesized Big Five dimensions. Some implications of these findings for the research and practice of personality measurement in personnel selection are discussed. Copyright © 2003 John Wiley & Sons, Ltd.

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GRAUEL, A., A. BÖHM, R. KÖHLER, et al. "ANISOTROPIC MAGNETIC BEHAVIOR IN UPd2Al3." International Journal of Modern Physics B 07, no. 01n03 (1993): 30–33. http://dx.doi.org/10.1142/s0217979293000081.

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The magnetic phase diagram of the antiferromagnetically ordered heavy-fermion superconductor UPd 2 Al 3( T N = 14K , T c = 2K ) is highly anisotropic. Three different magnetic phases are only observed for magnetic fields applied in the easy basal plane of the hexagonal PrNi 2 Al 3 structure ( B ⊥ c ). For B || c , only one transition at the Néel temperature T N is found. A tetravalent ( 5f 2) uranium-configuration is inferred from a crystal-electric field analysis of the temperature dependence of the anisotropic paramagnetic susceptibility.

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Sergentu, Dumitru-Claudiu, Frédéric Gendron, and Jochen Autschbach. "Similar ligand–metal bonding for transition metals and actinides? 5f1 U(C7H7)2−versus 3dn metallocenes." Chemical Science 9, no. 29 (2018): 6292–306. http://dx.doi.org/10.1039/c7sc05373h.

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A computational analysis of the electronic structure, bonding and magnetic properties in the 5f<sup>1</sup> U(C<sub>7</sub>H<sub>7</sub>)<sub>2</sub><sup>−</sup> complex vs. 3d metallocenes is performed. Notably, it is shown that the proton hyperfine coupling constant in U(C<sub>7</sub>H<sub>7</sub>)<sub>2</sub><sup>−</sup> is the same in sign and magnitude to that of the 3d<sup>7</sup> cobaltocene, but the two systems do not share a similar covalent metal–ligand bonding.

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Churilov, S. S., and Y. N. Joshi. "Analysis of the (5d9+ 5d86s)-[5d8(5f+ 6f+ 7p) + 5d76s6p] transitions of quadruply ionized thallium (Tl V)." Physica Scripta 51, no. 6 (1995): 721–36. http://dx.doi.org/10.1088/0031-8949/51/6/006.

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Ahmed, Qamar, Murni Sarian, Siti Mat So'ad, et al. "Methylation and Acetylation Enhanced the Antidiabetic Activity of Some Selected Flavonoids: In Vitro, Molecular Modelling and Structure Activity Relationship-Based Study." Biomolecules 8, no. 4 (2018): 149. http://dx.doi.org/10.3390/biom8040149.

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Flavonoids have been reported to exert antihyperglycemic effects and have potential to enhance the current therapy options against type 2 diabetes mellitus. However, the structure activity relationships (SAR) studies of flavonoids against this disease have not been thoroughly comprehended. Hence, in the present study, 14 structurally related flavonoids viz. wogonin, techtochrysin, norwogonin, isoscutellarein, hypolaetin, kaempferol, quercetin, methyl ether of wogonin, acetate of wogonin, acetate of norwogonin, 8-hydroxy-7-methoxyflavone, chrysin, (+)-catechin and (-)-epicatechin were taken int

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Tanti, Jonathan, Meghan Lincoln, and Andy Kerridge. "Decomposition of d- and f-Shell Contributions to Uranium Bonding from the Quantum Theory of Atoms in Molecules: Application to Uranium and Uranyl Halides." Inorganics 6, no. 3 (2018): 88. http://dx.doi.org/10.3390/inorganics6030088.

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The electronic structures of a series of uranium hexahalide and uranyl tetrahalide complexes were simulated at the density functional theoretical (DFT) level. The resulting electronic structures were analyzed using a novel application of the Quantum Theory of Atoms in Molecules (QTAIM) by exploiting the high symmetry of the complexes to determine 5f- and 6d-shell contributions to bonding via symmetry arguments. This analysis revealed fluoride ligation to result in strong bonds with a significant covalent character while ligation by chloride and bromide species resulted in more ionic interactio

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Marchei, Emilia, Sara Malaca, Silvia Graziano, Massimo Gottardi, Simona Pichini, and Francesco Paolo Busardò. "Stability and Degradation Pathways of Different Psychoactive Drugs in Neat and in Buffered Oral Fluid." Journal of Analytical Toxicology 44, no. 6 (2020): 570–79. http://dx.doi.org/10.1093/jat/bkz114.

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Abstract Sampling and drug stability in oral fluid (OF) are crucial factors when interpreting forensic toxicological analysis, mainly because samples may not be analyzed immediately after collection, potentially altering drug concentrations. Therefore, the stability of some common drugs of abuse (morphine, codeine, 6-monoacetylmorphine, cocaine, benzoylecgonine, Δ9-tetrahydrocannabinol, cannabidiol, amphetamine, 3,4-methylenedioxymethamphetamine, ketamine) and the more commonly consumed new psychoactive substances in our environment (mephedrone, and N-(adamantan-1-yl)-1-(5-fluoropentyl)-1H-ind

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35

Shetty, P. Raghurama, G. Shivaraja, G. Krishnaswamy, K. Pruthviraj, Vivek Chandra Mohan, and S. Sreenivasa. "Synthesis, Characterization, Biological Screening, ADME and Molecular Docking Studies of 2-Phenyl Quinoline-4-Carboxamide Derivatives." Asian Journal of Chemistry 32, no. 5 (2020): 1151–57. http://dx.doi.org/10.14233/ajchem.2020.22583.

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In this work, some 2-phenyl quinoline-4-carboxamide derivatives (5a-j) were synthesized via base catalyzed Pfitzinger reaction of isatin and acetophenone followed by C-N coupling reaction using POCl3 and assessed them for their in vitro antimicrobial and anticancer activity. The structure of newly synthesized compound were established by FT-IR, 1H & 13C NMR and Mass spectrometric analysis. The synthesized carboxamides were subjected to preliminary in vitro antibacterial activity as well as for antifungal activity. Results of antibacterial activity were compared with standard antibacterial

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Liu, Zongjun, Li Shen, Weijian Huang, et al. "Efficacy and safety of renal denervation for Chinese patients with resistant hypertension using a microirrigated catheter: study design and protocol for a prospective multicentre randomised controlled trial." BMJ Open 7, no. 9 (2017): e015672. http://dx.doi.org/10.1136/bmjopen-2016-015672.

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IntroductionAvailable data show that approximately 8%–18% of patients with primary hypertension will develop resistant hypertension. In recent years, catheter-based renal denervation (RDN) has emerged as a potential treatment option for resistant hypertension. A number of observational studies and randomised controlled trials among non-Chinese patients have demonstrated its potential safety and efficacy.Methods and analysisThis is a multicentre, randomised, open-label, parallel-group, active controlled trial that will investigate the efficacy and safety of a 5F saline-irrigated radiofrequency

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Wu, Xiaoyu, Feng Xu, Zhenzhen Yang, et al. "Synthesis, biological evaluation, and molecular docking of ((4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl) piperazin-1-yl)methyl) benzohydrazide derivatives." Journal of Chemical Research 44, no. 9-10 (2020): 543–50. http://dx.doi.org/10.1177/1747519820911278.

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A series of ((4-([1,2,4]triazolo[4,3- b][1,2,4,5] methyl) benzo-hydrazide derivatives was designed, synthesized, and evaluated for their inhibition activities against five tumor cells and c-Met kinase in vitro. These compounds were fully characterized by 1H NMR, 13C NMR, MS, and elemental analysis. Antitumor experiments indicated that some compounds exhibited significant inhibition activities against A549 and Bewo. Especially, the IC50 values of 5f (12 μM), 5h (7.1 μM), 6a (8.4 μM), and 6d (9.2 μM) demonstrated better antitumor activities against A549 than the positive agent cisplatin (13.3 μM

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Sun, Na-Bo, Jian-Zhong Jin, and Fang-Yue He. "Microwave Assisted Synthesis, Antifungal Activity, and DFT Study of Some Novel Triazolinone Derivatives." BioMed Research International 2015 (2015): 1–7. http://dx.doi.org/10.1155/2015/916059.

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A series of some novel 1,2,4-triazol-5(4H)-one derivatives were designed and synthesized under microwave irradiation via multistep reaction. The structures of 1,2,4-triazoles were confirmed by1H NMR, MS, FTIR, and elemental analysis. The antifungal activities of 1,2,4-triazoles were determined. The antifungal activity results indicated that the compounds5c,5f, and5hexhibited good activity againstPythium ultimum, and the compounds5band5cdisplayed good activity againstCorynespora cassiicola. Theoretical calculation of the compound5cwas carried out with B3LYP/6-31G (d). The full geometry optimiza

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Spydell, Matthew S., Falk Feddersen, and Jamie Macmahan. "The Effect of Drifter GPS Errors on Estimates of Submesoscale Vorticity." Journal of Atmospheric and Oceanic Technology 36, no. 11 (2019): 2101–19. http://dx.doi.org/10.1175/jtech-d-19-0108.1.

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AbstractDifferential kinematic flow properties (DKP), such as vertical vorticity, have been estimated from surface drifters. However, previous DKP error estimates were a posteriori and did not include correlated errors across drifters. To accurately estimate submesoscale (≤1 km) DKPs from drifters, errors must be better understood. Here, the a priori vorticity standard error is derived that depends upon the number of drifters in the cluster, the drifter cluster major and minor axes lengths, the instrument velocity error, and the cross-drifter error correlation. Two stationary GPS experiments,

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Chougule, Uttam B., Hemant V. Chavan, and Savita R. Dhongade. "Synthesis, Characterization and Biological Evaluation of Some 2-[1-(1,3-Diphenyl-1HPyrazol-4-yl)-meth-(E)-ylidene]indan-1-one Derivatives as Antibacterial Agents." Asian Journal of Organic & Medicinal Chemistry 5, no. 2 (2020): 127–32. http://dx.doi.org/10.14233/ajomc.2020.ajomc-p258.

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A new series of 2-[1-(1,3-diphenyl-1H-pyrazol-4-yl)-meth-(E)-ylidene]-indan-1-one derivatives (5a-l) have been synthesized through through the Knoevenagel condensation of pyrazole carbaldehydes with differently substituted 1-indanone derivatives in the presence of base. A high yielding and solvent-free method was developed for the synthesis of hydrazones from acetophenones under microwave irradiation in a very short reaction time. Structures of the newly synthesized compounds were affirmed by IR, 1H & 13C NMR and mass spectroscopic analysis. The confirmed structures were screened for their

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Delgado, Antonio, José Miguel Garcia, David Mauleon, et al. "Synthesis and conformational analysis of 2-amino-1,2,3,4-tetrahydro-1-naphthalenols." Canadian Journal of Chemistry 66, no. 3 (1988): 517–27. http://dx.doi.org/10.1139/v88-088.

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Synthesis and conformational analysis of several cis- and (or) trans-2-amino-1,2,3,4-tetrahydro-1-naphthalenols are described. Introduction of the nitrogen atom at the C(2) position of the starting tetralones 3 has been carried out through nitrosation followed by reduction of the intermediate hydroxyimino tetralone and (or) Neber rearrangement of the tosyloxy derivatives 7a–e. Stereoselective reduction of the C(1) carbonyl group of acetamidotetralones 5a–e or aminotetralones 8a–e afforded the corresponding acetamido or aminotetralols, respectively, of OH/N trans stereochemistry whereas an oppo

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Chu, Man-ni, and Jia-ling Syu. "Acoustic analysis of monophthongs, diphthongs, and triphthongs in Mandarin for 3- to 5-year-old children with articulatory phonological disorders." Linguistics Beyond and Within (LingBaW) 4 (December 30, 2018): 7–21. http://dx.doi.org/10.31743/lingbaw.5662.

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Ten 3- to 5-year old children (5M, 5F) who were diagnosed as children with articulatory phonological disorders (CWAPD) and attending a therapy program were recruited to participate in a ‘repeat-after-her’ experiment. They were asked to produce a total of 85 real Mandarin words, including 28 monophthongs, 41 diphthongs, and 16 triphthongs. The results indicated that CWAPD have no problem producing monophthongs. However, attempts to articulate diphthongs and triphthongs induced more errors. CWAPD showed more errors when producing words with 1st sonorant diphthongs than words with 2nd sonorant di

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Efeoglu Ozseker, Pinar, Nebile Daglioglu, Mete Korkut Gulmen, Ilknur Tolunay, and Fehiman Efeoglu. "Determination of AB-FUBINACA and 5F-NPB-22 in rats exposed to “Bonsai” via inhalation and analysis of seized product." Legal Medicine 50 (May 2021): 101869. http://dx.doi.org/10.1016/j.legalmed.2021.101869.

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Udupa T S, Rakshak, Shashank K Holla, and Kariyappa B S. "Design and Performance Analysis of Active and Passive Cell Balancing for Lithium-Ion Batteries." Journal of University of Shanghai for Science and Technology 23, no. 06 (2021): 476–88. http://dx.doi.org/10.51201/jusst/21/05246.

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Electric Vehicles (EV) are growing areas of research since the demand for clean transportation is ever-increasing. Batteries form an integral part of EVs. Battery Management systems (BMS) need to support many features, including charge balancing to improve battery life and longevity. Among passive cell balancing and active cell balancing, the latter provides better battery life and efficiency. Among different active and passive cell balancing techniques, popular techniques like Flyback transformer-based active cell balancing and switched capacitor-based active cell balancing are used. These me

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Teterin, Yury, Konstantin Maslakov, Mikhail Ryzhkov, et al. "Electronic structure and chemical bond nature in Cs2PuO2Cl4." Nuclear Technology and Radiation Protection 30, no. 2 (2015): 99–112. http://dx.doi.org/10.2298/ntrp1502099t.

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X-ray photoelectron spectral analysis of dicaesiumtetrachlorodioxoplutonate (Cs2PuO2Cl4) single crystal was done in the binding energy range 0-~35 eV on the basis of binding energies and structure of the core electronic shells (~35 eV-1250 eV), as well as the relativistic discrete variation calculation results for the PuO2Cl4 (D4h). This cluster reflects Pu close environment in Cs2PuO2Cl4 containing the plutonyl group PuO2. The many-body effects due to the presence of cesium and chlorine were shown to contribute to the outer valence (0-~15 eV binding energy) spectral structure much less than t

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46

Tachallait, Hamza, Mohsine Driowya, Eleuterio Álvarez, Rachid Benhida, and Khalid Bougrin. "Water Promoted One-pot Three-Step Synthesis of Novel N-Saccharin Isoxazolines/Isoxazoles Using KI/Oxone Under Ultrasonic Activation." Current Organic Chemistry 23, no. 11 (2019): 1270–81. http://dx.doi.org/10.2174/1385272823666190621115726.

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A green and efficient regioselective protocol was developed for the preparation of novel isoxazolines and isoxazoles of N-saccharin derivatives via the water-promoted cycloaddition reaction of nitrile oxides with alkenes and alkynes. It is noteworthy that KI/Oxone/water-promoted one-pot three-component reactions of aldehyde, hydroxylamine hydrochloride, and alkene or alkyne were observed to be very satisfactory. The synthesis of all adducts (4a-j/5a-j) has been carried out by this method with high to excellent yields (70-95%) at 25°C within 30 min, using ultrasonic probe. All the new compounds

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Bistrović Popov, Andrea, Robert Vianelo, Petra Grbčić, et al. "Novel Bis- and Mono-Pyrrolo[2,3-d]pyrimidine and Purine Derivatives: Synthesis, Computational Analysis and Antiproliferative Evaluation." Molecules 26, no. 11 (2021): 3334. http://dx.doi.org/10.3390/molecules26113334.

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Novel symmetrical bis-pyrrolo[2,3-d]pyrimidines and bis-purines and their monomers were synthesized and evaluated for their antiproliferative activity in human lung adenocarcinoma (A549), cervical carcinoma (HeLa), ductal pancreatic adenocarcinoma (CFPAC-1) and metastatic colorectal adenocarcinoma (SW620) cells. The use of ultrasound irradiation as alternative energy input in Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) shortened the reaction time, increased the reaction efficiency and led to the formation of exclusively symmetric bis-heterocycles. DFT calculations showed that triazole f

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Boam, D. S. W., and K. Docherty. "A tissue-specific nuclear factor binds to multiple sites in the human insulin-gene enhancer." Biochemical Journal 264, no. 1 (1989): 233–39. http://dx.doi.org/10.1042/bj2640233.

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Sequence-specific binding of proteins from an insulin-secreting cell line (RINm-5F) to the human insulin-gene 5′ region were examined by gel-retardation and methylation-interference analysis. Specific binding of a nuclear factor to sites between nucleotides -210 to -217 and -77 to -84 was detected. The same binding activity was shown at an upstream site (-313 to -320) with low affinity. Studies using mutated binding-site probes delineated a sequence 5′-C(T/C)CTAATG-3′ for high-affinity interactions. This binding activity was also present in another insulin-producing cell line (HIT.T15), but no

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Ерошевская, А. С., А. А. Егорова, Н. А. Милюкова, and А. С. Пырсиков. "Molecular genetic analysis of F1 tomato hybrids for resistance to Fusarium wilt." Kartofel` i ovoshi, no. 5 (May 5, 2021): 37–40. http://dx.doi.org/10.25630/pav.2021.44.34.006.

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Одно из самых опасных заболеваний томата – фузариозное увядание (Fusarium wilt), возбудитель которого – фитопатогенный гриб Fusarium oxysporum f. sp. lycopersici. Наиболее эффективный метод борьбы с этой болезнью – выращивание устойчивых сортов и гибридов томата. В настоящее время анализ растений по аллелям генов устойчивости успешно проводят с использованием молекулярных маркеров, которые позволяют выявить различия изучаемых образцов на уровне ДНК. Цель исследований – молекулярно-генетический анализ гибридов томата F1 селекции агрофирмы «Поиск» по устойчивости к фузариозу (ген I2). В качестве

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Elejalde, Nerith-Rocio, Estefanía Butassi, Susana Zacchino, Mario A. Macías, and Jaime Portilla. "Intermolecular interaction energies and molecular conformations in N-substituted 4-aryl-2-methylimidazoles with promising in vitro antifungal activity." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 75, no. 6 (2019): 1197–207. http://dx.doi.org/10.1107/s2052520619013271.

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A convenient one-pot synthesis of 4-aryl-2-methyl-N-phenacylimidazoles (4) through a microwave-assisted pseudo-tricomponent reaction of α-bromoacetophenones (1) with acetamidine hydrochloride (2) is reported. Ketones (4) were successfully used as substrates for the preparation of the respective N-(2-hydroxyethyl)imidazoles (5) with yields up to 87%. The synthesized compounds were characterized by NMR and high-resolution mass spectrometry analyses, and several structures were confirmed and studied by single-crystal X-ray diffraction. The analysis of the whole-of-molecule interactions shows that

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