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FD 177:Electron Transfer Quenching in Light Adapted and Mutant Forms of the AppA BLUF Domain

22-10-2014 | Sergey P Laptenok; Andras Lukacs; Richard Brust; Allison Haigney; Agnieszka Gil; Mike Towrie; Gregory M Greetham; P ..., Faraday Discussions, 2014

The Blue Light Using Flavin (BLUF) domain proteins are an important family of photoreceptors controlling a range of responses in a wide variety of organisms. The details of the primary photochemical mechanism, by which light absorption in the isoalloxazine ring of the flavin is converted into a ...


Light-harvesting capabilities of low band gap donor–acceptor polymers

21-10-2014 | Svante Hedström; Patrik Henriksson; Ergang Wang; Mats R. Andersson; Petter Persson, Physical Chemistry Chemical Physics, 2014

A series of nine donor–acceptor polymers, including three new and six polymers from previous work, have been investigated experimentally and theoretically. The investigation focuses on narrow band gaps and strong absorptions of the polymers, where experimentally determined first peak absorption ...


Self-Assemble SnO2@TiO2 Porous Nanowire-Nanosheet Heterostructures for Enhanced Photocatalytic Property

21-10-2014 | Banghong Zhou; Shuanglei Yang; Wei Wu; Lingling Sun; Mei Lei; Jun Pan; Xiang Xiong, CrystEngComm, 2014

Rational designed SnO2@TiO2 porous nanowire-nanosheet heterostructures were realized by a facile hydrothermal method via loading TiO2 nanosheets onto SnO2 porous nanowires. One-dimension porous heterostructures formed via the self-assembly process. Due to the improved photon absorption ability ...


A cyclopenta[1,2-b:5,4-b[prime or minute]]dithiophene-porphyrin conjugate for mesoscopic solar cells: a D-[small pi]-D-A approach

21-10-2014 | Jianfeng Lu; Bingyan Zhang; Shuangshuang Liu; Hao Li; Huailiang Yuan; Yan Shen; Jie Xu; Yibing Cheng; Mingkui Wang, Physical Chemistry Chemical Physics, 2014

This work introduces cyclopenta[1,2-b:5,4-b′]dithiophene (CPDT) as a spacer between the porphyrin chromophore and cyanoacetic acid to obtain a porphyrin dye (coded as LW9). The resultant novel porphyrin dye exhibits extended absorption spectra and a split B band at 520 nm. Therefore, a full ...


Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M–S bonding for MS42− (M = Cr, Mo, W) dianions

21-10-2014 | Angela C. Olson; Jason M. Keith; Enrique R. Batista; Kevin S. Boland; Scott R. Daly; Stosh A. Kozimor; Molly M. MacI ..., Dalton Transactions, 2014

Herein, we have evaluated relative changes in M–S electronic structure and orbital mixing in Group 6 MS42− dianions using solid- and solution-phase S K-edge X-ray absorption spectroscopy (XAS; M = Mo, W), as well as density functional theory (DFT; M = Cr, Mo, W) and time-dependent density ...


In Silico Machine Learning Methods in Drug Development

21-10-2014 | A. Dobchev, Dimitar; G. Pillai, Girinath; Karelson, Mati, Current Topics in Medicinal Chemistry, 2014

Abstract: Machine learning (ML) computational methods for predicting compounds with pharmacological activity, specific pharmacodynamic and ADMET (absorption, distribution, metabolism, excretion and toxicity) properties are being increasingly applied in drug discovery and evaluation. ...


Solid state photochromism and thermochromism of two related N-salicylidene anilines

19-10-2014 | Author(s): Mihaela Avadanei , Vasile Cozan , Sergiu Shova , José António Paixão, Chemical Physics, 2014

Publication date: Available online 13 October 2014 Source:Chemical Physics Author(s): Mihaela Avadanei , Vasile Cozan , Sergiu Shova , José António Paixão The crystalline structure and optical properties of N-salicylidene-p-cyanoaniline and N-salicylidene-p-carboxyaniline were ...


Intramolecular photoinduced proton transfer in 2-(2’-hydroxyphenyl)benzazole family: A TD-DFT quantum chemical study

19-10-2014 | Author(s): Hossein Roohi , Nafiseh Mohtamedifar , Fahemeh Hejazi, Chemical Physics, 2014

Publication date: Available online 13 October 2014 Source:Chemical Physics Author(s): Hossein Roohi , Nafiseh Mohtamedifar , Fahemeh Hejazi In this work, intramolecular photoinduced proton transfer in 2-(2’-hydroxyphenyl)benzazole family (HBO, HBI and HBT) was investigated using TD-DFT ...


Kinetic characterization of the human O‐phosphoethanolamine phospho‐lyase reveals unconventional features of this specialized pyridoxal phosphate‐dependent lyase

18-10-2014 | Davide Schiroli, Luca Ronda, Alessio Peracchi, FEBS Journal, 2014

Abstract Human O‐phosphoethanolamine (PEA) phospho‐lyase is a pyridoxal 5’‐phosphate (PLP) dependent enzyme that catalyzes the degradation of PEA to acetaldehyde, phosphate and ammonia. Physiologically, the enzyme is involved in phospholipid metabolism and is found mainly in the brain, where ...


Refractory Plasmonics with Titanium Nitride: Broadband Metamaterial Absorber

18-10-2014 | Wei Li, Urcan Guler, Nathaniel Kinsey, Gururaj V. Naik, Alexandra Boltasseva, Jianguo Guan, Vladimir M. Shalaev, Ale ..., Advanced Materials, 2014

A high‐temperature stable broadband plasmonic absorber is designed, fabricated, and optically characterized. A broadband absorber with an average high absorption of 95% and a total thickness of 240 nm is fabricated, using a refractory plasmonic material, titanium nitride. This absorber ...


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