Results 41 to 50 of about 129,793 (295)

Depicting the Non-Covalent Interaction of Whey Proteins with Galangin or Genistein Using the Multi-Spectroscopic Techniques and Molecular Docking

Foods, 2019
The non-covalent interactions between a commercial whey protein isolate (WPI) and two bioactive polyphenols galangin and genistein were studied at pH 6.8 via the multi-spectroscopic assays and molecular docking.
Chun-Min Ma, Xin-Huai Zhao
doaj   +1 more source

Linearized Coupled Cluster Correction on the Antisymmetric Product of 1 reference orbital Geminals

, 2015
We present a Linearized Coupled Cluster (LCC) correction based on an Antisymmetric Product of 1 reference orbital Geminals (AP1roG) reference state. In our LCC ansatz, the cluster operator is restricted to double and to single and double excitations as ...
Ayers, Paul W., Boguslawski, Katharina
core   +2 more sources

MARVEL Analysis of the Measured High-Resolution Rovibronic Spectra of 90Zr16O [PDF]

, 2018
Zirconium oxide(ZrO) is an important astrophysical molecule that defines the S-star classification class for cool giant stars. Accurate, empirical rovibronic energy levels, with associated labels and uncertainties, are reported for 9 low-lying electronic
Bennett, Aphra F V, Borsovszky, Jasmin, Csaszar, Attila G, Furtenbacher, Tibor, Goodhew, Katie L, Martin, Alfie D J, McKemmish, Laura K, Sheppard, Samuel, Singh, Amrik, Sturgeon, Callum A J, Tennyson, Jonathan   +10 more
core   +2 more sources

Cell‐cycle‐specific lesion evolution rather than inhibition of double‐strand‐break repair underpins cisplatin radiosensitization

Molecular Oncology, EarlyView.
We analyze cisplatin–DNA adducts (CDAs) and double‐strand breaks (DSBs) in a cell‐cycle‐dependent manner. We find that CDAs form similarly across all cell cycle phases. DSBs arise only in S‐phase. CDAs might not directly impair DSB repair, but S‐phase DSB lesions evolve in the presence of CDAs and disrupt repair in G2, also causing radiosensitization ...
Ye Qiu, Xixi Lin, Emil Mladenov, Veronika Mladenova, Jürgen Thomale, Ali Sak, Yao Wang, Yunxuan Deng, Eleni Gkika, Martin Stuschke, George Iliakis   +10 more
wiley   +1 more source

Modeling Triatomic Biosignatures: Ozone and Isotopomers

The Astrophysical Journal
In this work, we present a new approach to produce spectroscopic constants and model first-principles synthetic spectra for all molecules of astrophysical interest.
Thomas M. Cross, David M. Benoit, Marco Pignatari   +2 more
doaj   +1 more source

GPRD, A Database for the Spectral Properties of Diatomic Molecules of Atmospheric Interest

, 2005
A short note describing the development of a database providing factual and numerical data on the spectral properties of diatomic molecules. This database is available online for the overall scientific community at the following adress: http://cfp.ist ...
Bernath, Huber, Kuznetsova, M. Lino da Silva, P. Passarinho, Rothman, Wiese   +6 more
core   +2 more sources

Collision-Induced Non-Adiabatic Transitions Between The Ion-Pair States Of Molecular Iodine: A Challenge For Experiment And Theory [PDF]

, 2004
The ion-pair states of molecular iodine provide a unique system for studying the efficiency, selectivity, and mechanisms of collision-induced non-adiabatic transitions.
Akopyan, M. E., Buchachenko, A. A., Poretsky, S. A., Pravilov, A. M., Stephenson, Thomas Alex, Tscherbul, T. V.   +5 more
core   +2 more sources

A novel quinazolinone insulin receptor inhibitor and its synergy with an EGFR inhibitor in glucose‐driven glioblastoma

Molecular Oncology, EarlyView.
The novel styrylquinazolinone‐based molecule W1B effectively suppresses glioblastoma by inhibiting IGF1R and EGFR. In high‐glucose microenvironments driving tumor resistance, W1B acts synergistically with the EGFR inhibitor dacomitinib. This combination safely blocks compensatory survival signaling in zebrafish xenograft models. Showcasing promising in
Patryk Rurka, Wioleta Cieślik, Wojciech Płaziński, Katarzyna Stępnik, Anna Boguszewska‐Czubara, Elżbieta Kot, Robert Musioł, Mateusz Jasica, Anna Mrozek‐Wilczkiewicz, Katarzyna Malarz   +9 more
wiley   +1 more source

An Upgraded Line List for Radiative Transitions between the B 2Σ+, A 2Π, and X 2Σ+ States of the CN Radical

The Astrophysical Journal Supplement Series
The global mass-invariant coupled-channel deperturbation model of the B ^2 Σ ^+ , A ^2 Π, and X ^2 Σ ^+ states of the CN radical, which reproduces the overall rovibronic term values of mutually perturbed levels with almost spectroscopic accuracy, has ...
S. V. Kozlov, V. A. Terashkevich, E. A. Pazyuk, A. V. Stolyarov, S. N. Yurchenko, J. Tennyson   +5 more
doaj   +1 more source

Evaluation of DNA/BSA Binding and Chemical Nuclease Activity of L-Tyrosine-Based Mn(III) and Fe(III) Metallo-Intercalators

Acta Chimica Slovenica, 2019
A novel class of Mn(III) and Fe(III) complexes of L-tyrosine-based ligand has been synthesized and characterized through various analytical and spectroscopic techniques.
Biju Bennie Rajaretnam, Joel Chellappa, Daniel Abraham Solomon, Iyyam Pillai Subramanian, Theodore David Manickam Selvanayagam   +4 more
doaj   +1 more source