7,891 research outputs found

    EXAFS, DFT, light-induced nucleobase binding, and cytotoxicity of the photoactive complex cis-[Ru(bpy)2(CO)Cl]+

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    The aqueous photochemistry of cis-[Ru(bpy)2(CO)Cl]+ (1) was investigated at 310 K and under visible light (white) irradiation by NMR and ESI-HR-MS. Complex 1 releases a Cl ligand, coordinates a solvent molecule, and forms the complex cis-[Ru(bpy)2(CO)(H2O)]2+ (2). Also, irradiation experiments were performed in the presence of the nucleobase derivatives 9-ethylguanine (9-EtG) and 9-ethyladenine (9-EtA). Formation of Ru-9-EtG adducts was observed after 3 h irradiation by NMR and HR-MS, while only very small amounts of a Ru-9-EtA adduct could be detected by HR-MS. Solution structural data were obtained by X-ray absorption spectroscopy (XAS) for both 1 and 2. EXAFS gave a Ru−Cl distance of 2.416(7) Å for 1 and a Ru−OH2O distance of 2.102(6) Å for 2. DFT and TDDFT were employed to study the photophysical and photochemical properties of 1. Calculations show that dissociative metal-centered states can be related to the light-induced release of a Cl ligand and subsequent coordination of a solvent molecule. The compound showed no antiproliferative activity in three human carcinoma cell lines (lung, bladder, pancreas) under the testing conditions, either with or without irradiation with UV light

    Habrocestoides furcatus Xie, Peng & Kim 1993

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    Habrocestoides furcatus Xie, Peng & Kim, 1993 (Figs. 12-16) Habrocestoides furcatus Xie et al., 1993: 24, figs. 5 9 (♂). Material: Male holotype, Zhangjiajie Forest Park, Dayong, Hunan, August 1981, leg. Wang Jia-fu. Figs. 12- 16: Habrocestoides furcatus Xie et al., 1993. 12 Body; 13 Palpal organ, prolateral; 14 Ditto, ventral; 15 Ditto, Diagnosis: This species is allied to H. sinensis, but differs from the latter by: (l) embolus much shorter and thinner, slightly bifurcated in retrolateral view (Fig. 15 cf. Fig. 20); (2) tibial apophysis fork-shaped in retrolateral view (Fig. 15); (3) bulb stouter (Fig. 13 cf. Fig. 18). Male holotype: TL 3.35, CL 1.8, CW 1.5, AEW 1.4, PEW 1.3, EFL 0.7, AL 1.6, AW 1.2. Carapace reddish brown, eye field dark brown, with brown setae; eyes I straight, diameter of AME about twice that of ALE, ALE slightly larger than PLE, PME at midpoint between ALE and PLE. Chelicerae orange (also endites, labium and sternum), 2 promarginal teeth and 1 retromarginal. Legs yellowish brown, short and strong, black-brown annuli distally on femur, patella and tibia. Abdomen oval, pattern as in Fig. 12, ventrally yellowish brown. Palpal organ (Figs. 13-16): embolus very short, spine-shaped in prolateral view (Fig. 13), slightly bifurcated in retrolateral view (Fig. 15); tibial apophysis hook-shaped in ventral view (Fig. 14), fork-shaped in retrolateral view (Fig. 15). Female: Unknown. Distribution: China (Hunan).Published as part of Peng Xian-jin & Xie Li-ping, 1995, Spiders of the genus Habrocestoides from China (Araneae: Salticidae), pp. 57-64 in Bulletin of the British Arachnological Society 10 on page 5

    Enhanced CO2 electroreduction performance over Cl-modified metal catalysts

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    Ag nanoparticles with surface Cl− modification (Ag–Cl NPs) by in situ electroreduction of AgCl exhibit a high selectivity for CO2-to-CO conversion. The observed C–Cl bond suggests that electrons can be effectively transferred from the Cl− ions to the unoccupied orbital of CO2, and then activate nonpolar CO2 molecules on Cl− sites.No Full Tex

    Synthesis, Crystal Structure, and Characterization of a New Metal Borophosphate: PbII4{Co2[B(OH)2P2O8](PO4)2}Cl

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    A new metal borophosphate Pb-4(II){Co-2[B(OH)(2)P2O8](PO4)(2)}Cl (1), containing both Pb2+ cations and Cl- anions, was hydrothemially synthesized and characterized by powder X-ray diffraction, ICP, TG/DTA, and FTIR spectroscopic analyses. The crystal structure determination from single-crystal X-ray diffraction reveals that compound 1 crystallizes in the trigonal space group R (3) over barc (No. 167), a = 9.7513(7) angstrom, c = 91.060(13) angstrom, V = 7498.7(13) angstrom(3) and Z = 18. Its structure features a new cobalt borophosphate layer {Co-2[B(OH)(2)P2O8](PO4)(2)}(7-) built up from CoO5 square pyramids, [B(OH)(2)P2O8](5-) borophosphate timers and PO4 tetrahedra. Extraframework Pb2+ and Cl- ions are located at the vacancy of layers to achieve the charge neutrality of the framework. Magnetic measurements indicate that antiferromagnetic interactions exist between Co2+ ions with a negative Weiss constant of -20.3 K

    Evaluation of the Stoichiometry Between [Pt(Cl)_6]^2-and TOA^+ Ions During the Liquid/liquid Extraction

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    The monolayer protected Pt nanoparticles have been widely used in catalyst, energy conversion, chemical sensing etc. The Brust-Schiffrin (BS) is a two-phase synthesis method that is mostly used to synthesize the monolayer protected Pt nanoparticles. In the BS method, [Pt(Cl)_6]^2- ions in the aqueous phase needs to be transferred into an organic phase with the assistance of TOA^+. However, a problem quickly arises because the stoichiometry between TOA^+ and [Pt(Cl)_6]^2- during the facilitated transfer process is still unknown. In this project, a hemispherical micro-liquid/liquid interface formed between a layer of [Pt(Cl)_6]^2- aqueous filled micropipette and an organic phase has been employed to study the stoichiometry of TOA^+ facilitated transfer of [Pt(Cl)_6]^2-. Since at the hemispherical micro-liquid/liquid interface there is even diffusion field, the theoretical i-V curve for TOA^+ facilitated transfer of [Pt(Cl)_6]^2- can be derived much more easily. By simulating the theoretical i-V curve to the experimental voltammogram, the stoichiometry of TOA^+ facilitated transfer of [Pt(Cl)_6]^2- can be precisely obtained by fitting the experimental curve with the theoretical curve

    Open access self-archiving: An author study

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    This, our second author international, cross-disciplinary study on open access had 1296 respondents. Its focus was on self-archiving. Almost half (49%) of the respondent population have self-archived at least one article during the last three years. Use of institutional repositories for this purpose has doubled and usage has increased by almost 60% for subject-based repositories. Self-archiving activity is greatest amongst those who publish the largest number of papers. There is still a substantial proportion of authors unaware of the possibility of providing open access to their work by self-archiving. Of the authors who have not yet self-archived any articles, 71% remain unaware of the option. With 49% of the author population having self-archived in some way, this means that 36% of the total author population (71% of the remaining 51%), has not yet been appraised of this way of providing open access. Authors have frequently expressed reluctance to self-archive because of the perceived time required and possible technical difficulties in carrying out this activity, yet findings here show that only 20% of authors found some degree of difficulty with the first act of depositing an article in a repository, and that this dropped to 9% for subsequent deposits. Another author worry is about infringing agreed copyright agreements with publishers, yet only 10% of authors currently know of the SHERPA/RoMEO list of publisher permissions policies with respect to self-archiving, where clear guidance as to what a publisher permits is provided. Where it is not known if permission is required, however, authors are not seeking it and are self-archiving without it. Communicating their results to peers remains the primary reason for scholars publishing their work; in other words, researchers publish to have an impact on their field. The vast majority of authors (81%) would willingly comply with a mandate from their employer or research funder to deposit copies of their articles in an institutional or subject-based repository. A further 13% would comply reluctantly; 5% would not comply with such a mandate
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