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Xiaojuan Pang, Xueyan Cui, Deping Hu, Chenwei Jiang, Di Zhao, Zhenggang Lan, Fu-Li Li
Photoisomerization dynamics of a light-driven molecular rotary motor, 9-(2-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-ylidene)-9H-fluorene, is investigated with trajectory surface-hopping dynamics at the semi-empirical OM2/MRCI level. The rapid population decay of the S1 excited state for the M isomer is observed, with two different decay timescales (500 fs and 1.0 ps). By weighting the contributions of fast and slow decay trajectories, the averaged lifetime of the S1 excited state is about 710 fs. The calculated quantum yield of the M-to-P photoisomerization of this molecular rotary motor is about 59...
January 19, 2017: Journal of Physical Chemistry. A
Ruphi Naz, Mohammad Anis, Abdulrahman A Alatar
In vitro propagation of a medicinally important plant, Althaea officinalis, has been achieved through somatic embryogenesis. Somatic embryos (globular to torpedo-shaped embryos) were induced on Murashige and Skoog's (MS) medium augmented with various concentrations of 2,4-dichlorophenoxyacetic acid (2,4-D, 5.0, 10.0, 15.0, 20.0, and 25.0) alone or combined with N6-benzylaminopurine (BA, 0.1, 0.5, 1.0, 1.5, and 2.0 μM). These were directly formed from the cut ends and subsequently spread on the whole surface of internodal explants...
January 18, 2017: Applied Biochemistry and Biotechnology
Janina S Koelschbach, Housna Mouttaki, Carolin Pickl, Hermann J Heipieper, Reinhard Rachel, Paul A Lawson, Rainer U Meckenstock
The anaerobic, non-motile strain HMT was isolated from the naphthalene-degrading, sulfate-reducing enrichment culture N47. Since 20 years, strain HMT has been a stable member of culture N47 although it is neither able to degrade naphthalene nor to reduce sulfate in pure culture. The highest similarity of the 16S rRNA gene sequence of strain HMT (89%) is with a cultivated member of the family Spirochaetaceae, Treponema caldarium sp. strain H1T (DSM 7334T), an obligately anaerobic, thermophilic spirochete isolated from cyanobacterial mat samples collected at a freshwater hot spring in Oregon, USA...
January 18, 2017: International Journal of Systematic and Evolutionary Microbiology
Umran Duru Kamaci, Musa Kamaci, Aysegul Peksel
In this paper, interaction of Schiff base and its metal complexes carrying naphthalene ring in the structure with bovine serum albumin (BSA) were investigated using UV-vis absorption, fluorescence spectroscopies and molecular docking methods. The effect on the binding mechanism and properties of these compounds containing metal-free, iron and copper ions were also investigated. The fluorescence spectroscopy results showed that fluorescence intensity of BSA in the presence of different concentration of ligands was decreased through a static quenching mechanism...
January 18, 2017: Journal of Fluorescence
Abdur Rauf, Afzal Shah, Abdul Aziz Khan, Aamir Hassan Shah, Rashda Abbasi, Irfan Zia Qureshi, Saqib Ali
A novel Schiff base, 1-((2, 4-dimethylphenylimino)methyl)naphthalen-2-ol abbreviated as (HL) and its four metallic complexes were synthesized and confirmed by (1)H and (13)C NMR, FTIR, TGA and UV-Visible spectroscopy. Schiff base was also characterized by X-ray analysis. The photometric and electrochemical responses of all the synthesized compounds were investigated in a wide pH range. Structures of the compounds were optimized computationally for the evaluation of different physico-chemical parameters. On the basis of electrochemical results the redox mechanistic pathways of the compounds were proposed...
January 9, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Débora Maria Abrantes Costa, Mariana Amalia Figueiredo Costa, Samuel Leite Guimarães, Juliana Barbosa Coitinho, Stefanya Velásquez Gómez, Tiago Antônio da Silva Brandão, Ronaldo Alves Pinto Nagem
The second enzyme of the naphthalene degradation pathway in Pseudomonas putida G7 is NahB, a dehydrogenase that converts cis-1,2-dihydroxy-1,2-dihydronaphthalene to 1,2-dihydroxynaphthalene. We report the cloning, optimization of expression, purification, kinetic studies and preliminary structural characterization of the recombinant NahB. The nahB gene was cloned into a T7 expression vector and the enzyme was overexpressed in Escherichia coli Rosetta (DE3) as an N-terminal hexa-histidine-tagged protein (6xHis-NahB)...
January 9, 2017: Protein Expression and Purification
Huan He, Juan Xu, Dan-Yang Cheng, Li Fu, Yu-Shu Ge, Feng-Lei Jiang, Yi Liu
Amino naphthalene 2-Cyanoacrylate (ANCA) probe is a kind of fluorescent amyloid binding probe that can report a different fluorescence emission when bound to different types of amyloid deposits in tissue, while their interactions with amyloid fibrils remain unclear due to the insoluble nature of amyloid fibrils. Here, all atom molecular dynamics simulations were used to investigate the interaction between ANCA probes with three different amyloid fibrils. Two common binding modes of ANCA probes on Aβ40 amyloid fibrils were identified by cluster analysis of multiple simulations...
January 12, 2017: Journal of Physical Chemistry. B
Sangsu Lee, Fang Miao, Hoa Phan, Tun Seng Herng, Jun Ding, Jishan Wu, Dongho Kim
We successfully synthesized, for the first time, naphthalene diimide (NDI) radical and diradical by simple chemical oxidation using lead (IV) dioxide. The formation of (di)radical is confirmed through UV/Vis/NIR absorption, 1H NMR and EPR measurements. In particular, temperature dependent EPR, SQUID and quantum calculations demonstrated that the generated NDI diradical has singlet diradical character of y = 0.69 in the ground state. Subsequent characterization of these (di)radical revealed their stabilities, large TPA cross-sections and short excited-state lifetimes...
January 12, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
Ming-Hong Wu, Xue-Xia Yang, Gang Xu, Chen-Jing Que, Si-Han Ma, Liang Tang
Semivolatile organic compounds (SVOCs) in surface microlayer (SML) and subsurface water (SSW) from Dianshan Lake were studied to investigate their occurrence, distributions, as well as enrichment and potential sources. A sample was concentrated by solid-phase micro-extraction (SPME). Identification and quantification were carried out by gas chromatography coupled to mass spectrometry (GC-MS). Total SVOCs concentrations ranged from 25.93 to 47.49 μg/L in SSW and 38.19 to 77.23 μg/L in SML. The phthalic acid esters (PAE) concentrations in both SSW and SML are the highest of the total SVOC...
January 11, 2017: Environmental Science and Pollution Research International
Yongquan Hua, Guojuan Pu, Caiwen Ou, Xiaoli Zhang, Ling Wang, Jiangtao Sun, Zhimou Yang, Minsheng Chen
Here we report a supramolecular hydrogel based on Gd(III)-peptide complexes with dramatically enhanced magnetic resonance (MR) performance. The hydrogelations were formed by adding Gd(III) ion to the nanofiber dispersion of self-assembling peptides naphthalene-Gly-Phe-Phe-Tyr-Gly-Arg-Gly-Asp (Nap-GFFYGRGD) or naphthalene-Gly-Phe-Phe-Tyr-Gly-Arg-Gly-Glu (Nap-GFFYGRGE). We further showed that, by adjusting the molar ratio between Gd(III) and the corresponding peptide, the mechanical property of resulting gels could be fine-tuned...
January 11, 2017: Scientific Reports
Fuchun Xie, Bingbing X Li, Xiangshu Xiao
cAMP-response element binding protein (CREB) is a nuclear transcription factor that has been implicated in the pathogenesis and maintenance of various types of human cancers. Identification of small molecule inhibitors of CREB-mediated gene transcription has been pursued as a novel strategy for developing cancer therapeutics. We recently discovered a potent and cell-permeable CREB inhibitor called 666-15. 666-15 is a bisnaphthamide and has been shown to possess efficacious anti-breast cancer activity without toxicity in vivo...
December 31, 2016: Bioorganic & Medicinal Chemistry Letters
Alexander Moiseevich Mebel, Alexander Landera, Ralf I Kaiser
The article addresses the formation mechanisms of naphthalene and indene, which represent prototype polycyclic aromatic hydrocarbons (PAH) carrying two six-membered and one five plus a six-membered ring. Theoretical studies of the relevant chemical reactions are overviewed in terms of their potential energy surfaces, rate constants, and product branching ratios; these data are compared with experimental measurements in crossed molecular beams and the pyrolytic chemical reactor emulating the extreme conditions in the interstellar medium (ISM) and the combustion-like environment, respectively...
January 10, 2017: Journal of Physical Chemistry. A
Xi-Rui Li, Xiang-Yuan Yang, Yongxin Li, Sumod A Pullarkat, Pak-Hing Leung
A chiral phosphine auxiliary was generated with excellent ee via catalytic asymmetric hydrophosphination of 3-(naphthalen-1-ylmethylene)pentane-2,4-dione. The subsequent metal complexation of the monophosphine yielded two different coordination complexes depending on the reaction conditions. The ortho-palladation of both coordination complexes resulted in the formation of a single dimeric phosphapalladacycle complex that could be further converted to the monomeric bisacetonitrile derivative. Moreover, the palladium complex exhibits interesting oxophilicity as the stable bisaquo derivative could be isolated and characterized crystallographically...
January 10, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
Fatma Yurt Lambrecht, Kasim Ocakoglu, Suleyman Gokhan Colak, Onur Alp Ersoz, Ozge Er
Imidazolium salts and derivatives have anti-tumor efficacy and toxic effects in different microorganisms. In present study, an imidazolium bromide salt (NMI) was synthesized, and its antitumor potential was investigated by in vitro studies. Radiolabeling of synthesized NMI was carried out by iodogen method using (131) I radionuclide. The yield of radiolabeling was determined as 98.5±0.1%. After that, cytotoxicity and intracellular uptake studies were evaluated in various cell lines. The cytotoxicity of NMI was determined as 35 μM, 20 μM, 10 μM and 1 μM for HEK-293, PC-3, CaCo-2 and MCF-7 cells, respectively...
January 9, 2017: Chemical Biology & Drug Design
Hendrik V Schröder, Henrik Hupatz, Andreas J Achazi, Sebastian Sobottka, Biprajit Sarkar, Beate Paulus, Christoph A Schalley
Donor-acceptor materials with small HOMO-LUMO gaps are important in molecular electronics, but often difficult to synthesise. A simple and efficient way to position tetrathiafulvalene (TTF) as the donor and naphthalene diamide (NDI) as the acceptor in close proximity to each other in a divalent crown/ammonium pseudo[2]rotaxane is presented. The divalent design provides high chelate cooperativity and much stronger binding compared to a monovalent analogue. The pseudo[2]rotaxane is then doubly interlocked by stoppering it in a catalyst-free 1,3-dipolar cycloaddition...
January 9, 2017: Chemistry: a European Journal
Cuimei Liu, Wei Jia, Zhendong Hua, Zhenhua Qian
Clinical and forensic toxicology laboratories are continuously confronted by analytical challenges when dealing with the new psychoactive substances phenomenon. The number of synthetic cannabinoids, the chemical diversity, and the speed of emergence make this group of compounds particularly challenging in terms of detection, monitoring, and responding. Three indazole 7 N positional isomer synthetic cannabinoids, two ethyl 2-amino-3-methylbutanoate-type synthetic cannabinoids, and one 9H-carbazole substituted synthetic cannabinoid were identified in seized materials...
January 7, 2017: Drug Testing and Analysis
Chi-Fen Chang, Kang-Chun Liao, Chung-Hwan Chen
The anti-inflammatory pharmacological effect of eight 2-phenylnaphthalenes (PNAP-1-PNAP-8) on lipopolysaccharide (LPS)-induced RAW 264.7 (a mouse cell line) was investigated. Among them, 6,7-dihydroxy-2-(4'-hydroxyphenyl)naphthalene (PNAP-6) and 2-(4'-aminophenyl)-6,7-dimethoxynaphthalene (PNAP-8) exhibited the best anti-inflammatory activity in this study. PNAP-6 and PNAP-8 not only significantly decreased the expression of inducible nitric oxide synthase and cyclooxygenase-II, but also inhibited the production of nitric oxide, interleukin-6, and tumor necrosis factor-α in LPS stimulated cells...
2017: PloS One
Renata Rybakiewicz, Eric Daniel Glowacki, Lukasz Skorka, Sandra Pluczyk, Pawel Zassowski, Dogukan Apaydin, Mieczyslaw Lapkowski, Malgorzata Zagorska, Adam Pron
Two low molecular weight electroactive donor-acceptor- donor (DAD) type molecules are reported, namely naphthalene bisimide symmetrically core-functionalized with dithienopyrrole (NBI-(DTP)2) and an asymmetric core-functionalized naphthalene bisimide with dithienopyrrole substituent on one side and 2-ethylhexylamine on the other side (NBI-DTP-NHEtHex). Both compounds are characterized by low optical band gaps (1.52 eV and 1.65 eV, respectively). NBI-(DTP)2 undergoes oxidative electropolymerization giving the electroactive polymer of ambipolar character...
January 6, 2017: Chemistry: a European Journal
Jiyuan Li, Huiping Hu, Shan Zhu, Fang Hu, Yongxi Wang
In this paper, a synergist complex of Ni(ii) with naphthalene-2-sulfonic acid (HNS) and n-hexyl 4-pyridinecarboxylate ester (L(I)), which are corresponding short chain analogues of active synergistic extractants dinonylnaphthalene sulfonic acid (HDNNS) and 2-ethylhexyl 4-pyridinecarboxylate ester (4PC, L(II)), was prepared and characterized by Nuclear Magnetic Resonance ((1)H-NMR), elemental analyses, Fourier Transform Infrared Spectroscopy (FT-IR) and Electrospray Ionization Mass Spectrometry (ESI-MS) spectroscopic studies...
January 4, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
Haruka Katsui, Sachiko Sugimoto, Katsuyoshi Matsunami, Hideaki Otsuka, Sorasak Lhieochaiphant
From the leaves of Cananga odorata var. odorata, three relatively large molecules, namely two aryl naphthalene lignan diesters of canangafruticoside A and one cyclobutane lignan diester of canangafruticoside A, were isolated along with four known compounds. The structures of the new compounds were elucidated based on spectroscopic evidence.
2017: Chemical & Pharmaceutical Bulletin
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