Results 41 to 50 of about 219,728 (324)

Effect of molecular and electronic structure on the light harvesting properties of dye sensitizers [PDF]

, 2007
The systematic trends in structural and electronic properties of perylene diimide (PDI) derived dye molecules have been investigated by DFT calculations based on projector augmented wave (PAW) method including gradient corrected exchange-correlation ...
Acebal P., Alstrum-Acevedo J. H., Banuelos Prieto J., Becke A. D., Benkö G., Blöchl P. E., Braun D., Brocks G., Campbell L., Chakraborty S., D. Uner, Daul C., Dreuw A., Duncan W. R., E. Mete, Eisenberg R., Ferrere S., Ford W. E., Gorelsky S. I., Grätzel M., Hara K., Hay P. J., Henkelman G., Hinsch A., Kallioinen J., Kendall R. A., Kober E. M., Kondov I., Kresse G., Kresse G., Kresse G., Lee C., M. Çakmak, Martineau D., Naito K., Nakade S., O'Reagan B., O. Gulseren, Ozcan O., Pasveer W. F., Perdew J. P., Persson P., Rillema D. P., Saes M., Schmidt-Mende L., Stier W., Tachibana Y., Thompson D. W., Wang P., Wang P., Yukruk F., Ş. Ellialtoǧlu   +51 more
core   +3 more sources

A high-resolution infrared spectroscopic investigation of the halogen atom-HCN entrance channel complexes solvated in superfluid helium droplets [PDF]

, 2006
Rotationally resolved infrared spectra are reported for the X-HCN (X = Cl, Br, I) binary complexes solvated in helium nanodroplets. These results are directly compared with that obtained previously for the corresponding X-HF complexes [J. M.
Balakrishnan, Boltnev, Boltnev, Boys, Brink, Brown, Brown, Cacace, Chase, Jr, Chen, Choi, Curtiss, de Juan, Decker, Deskevich, Douberly, Douberly, Draeger, Fishchuk, Fishchuk, Fishchuk, Frosh, Frost, Goldschleger, Gordon, Gordon, Gordon, Gordon, Harding, Harren, Heaven, Hinds, Hunt, Hunt, Hutson, Jaccarino, Jeremy M. Merritt, Jochen Küpper, Klos, Klos, Knuth, Kreher, Kreher, Küpper, Lefebvre-Brion, Legon, Legon, LeRoy, Lester, Madeja, Maierle, McInnis, Merritt, Merritt, Merritt, Merritt, Merritt, Metz, Meuwly, Meuwly, Misochko, Nauta, Nauta, Nauta, Nauta, Nauta, Nicklass, Peterson, Pfeiffer, Rode, Roger E. Miller, Rudić, Sims, Skouteris, Stienkemeier, Tao, Towsend, Troya, Vissers, von Haeften, Weck, Werner, Zdanska, Zeimen, Zeimen, Zhang   +85 more
core   +3 more sources

Plecstatin inhibits hepatocellular carcinoma tumorigenesis and invasion through cytolinker plectin

Molecular Oncology, EarlyView.
The ruthenium‐based metallodrug plecstatin exerts its anticancer effect in hepatocellular carcinoma (HCC) primarily through selective targeting of plectin. By disrupting plectin‐mediated cytoskeletal organization, plecstatin inhibits anchorage‐dependent growth, cell polarization, and tumor cell dissemination.
Zuzana Outla, Jan Kosla, Magdalena Prechova, Lukas Frick, Patricia Bortel, Yasmin Borutzki, Andrea Bileck, Christopher Gerner, Samuel M. Meier‐Menches, Selma Osmanagic‐Myers, Martin Gregor   +10 more
wiley   +1 more source

A comparison of structure, bonding and non-covalent interactions of aryl halide and diarylhalonium halogen-bond donors

Beilstein Journal of Organic Chemistry
Halogen bonding permeates many areas of chemistry. A wide range of halogen-bond donors including neutral, cationic, monovalent, and hypervalent have been developed and studied.
Nicole Javaly, Theresa M. McCormick, David R. Stuart   +2 more
doaj   +1 more source

Exploring the role of halogen bonding in iodonium ylides: insights into unexpected reactivity and reaction control

Beilstein Journal of Organic Chemistry, 2023
Halogen bonding is commonly found with iodine-containing molecules, and it arises when Lewis bases interact with iodine’s σ-holes. Halogen bonding and σ-holes have been encountered in numerous monovalent and hypervalent iodine-containing compounds, and ...
Carlee A. Montgomery, Graham K. Murphy
doaj   +1 more source

Intermolecular Halogen Bond Detected in Racemic and Optically Pure N-C Axially Chiral 3-(2-Halophenyl)quinazoline-4-thione Derivatives

Molecules, 2022
The halogen bond has been widely used as an important supramolecular tool in various research areas. However, there are relatively few studies on halogen bonding related to molecular chirality. 3-(2-Halophenyl)quinazoline-4-thione derivatives have stable
Ryosuke Matsui, Erina Niijima, Tomomi Imai, Hiroyuki Kobayashi, Akiko Hori, Azusa Sato, Yuko Nakamura, Osamu Kitagawa   +7 more
doaj   +1 more source

Influence of an Argon/Silane Atmosphere on the Temperature of a Thermal Plasma

Advanced Engineering Materials, EarlyView.
The influence of a silane‐doped argon atmosphere on the chemical composition and temperature of a thermal nontransferring argon plasma is investigated using optical emission spectroscopy. As a result of the high amount of free electrons resulting from the stepwise ionization and dissociation of the silane molecule, even a silane addition of 0.01 vol ...
Lena Kreie, David Kramer, Thomas Scheithauer, Hans Jürgen Maier, Thomas Hassel   +4 more
wiley   +1 more source

Effect of light-emitting diode and halogen light curing on the micro-hardness of dental composite and resin-modified glass ionomer cement: An in vitro study

Journal of Indian Society of Pedodontics and Preventive Dentistry, 2012
Aims : This in vitro study was conducted to evaluate and compare the micro-hardness of composite resin and resin-modified glass ionomer cement using light-emitting diode (LED) and halogen curing and also to inter-compare the effect of LED and halogen ...
M Bhalla, D Patel, N D Shashikiran, R M Mallikarjuna, T M Nalawade, H K Reddy   +5 more
doaj   +1 more source

A theoretical simulation of the resonant Raman spectroscopy of the H2O⋯Cl2 and H2O⋯Br2 halogen-bonded complexes [PDF]

, 2016
The resonant Raman spectra of the H2O⋯Cl2 and H2O⋯Br2 halogen-bonded complexes have been studied in the framework of a 2-dimensional model previously used in the simulation of their UV-visible absorption spectra using time-dependent techniques.
Janda K. C., Jesús Rubayo-Soneira, Kenneth C. Janda, Nadine Halberstadt, Press W. H., Ricardo Franklin-Mergarejo, Tannor D. J., V. Ara Apkarian   +7 more
core   +2 more sources

Combinatorial Synthesis of Next Generation Water‐Soluble Quaternized N‐Halamine Oligomers with Long‐Lasting Antiviral Properties

Advanced Functional Materials, EarlyView.
A combinatorial library of dual‐functional antiviral oligomers incorporating N‐halamine and quaternary ammonium functionalities is developed for long‐lasting antiviral activity. The lead materials exhibit rapid and durable antiviral activity against SARS‐CoV‐2 variants and influenza H1N1, with 4 to 5 log reduction in viral copies at 5 mg mL−1 ...
Eid Nassar‐Marjiya, Konda Reddy Kunduru, Krishanu Ghosal, Luna Rizik, Nofar Atari, Mahran Daifa, Neta Kutner, Bassma Khamaisi, Qi Wu, Simran Jindal, Merna Shaheen‐Mualim, Ranabir Majumder, Mahitosh Mandal, Michal Mandelboim, Shady Farah   +14 more
wiley   +1 more source