Results 91 to 100 of about 1,577,920 (354)

Dissociation Constants (pKa) of Eight Amines: Measurements, Computational Chemistry Calculations, and ANN [PDF]

, 2023
Venkata Sai Priyatham Varma Alluri, William Nguyen, Amr Henni   +2 more
openalex   +1 more source

Tonic signaling of the B‐cell antigen‐specific receptor is a common functional hallmark in chronic lymphocytic leukemia cell phosphoproteomes at early disease stages

Molecular Oncology, EarlyView.
B‐cell chronic lymphocytic leukemia (B‐CLL) and monoclonal B‐cell lymphocytosis (MBL) show altered proteomes and phosphoproteomes, analyzed using mass spectrometry, protein microarrays, and western blotting. Identifying 2970 proteins and 316 phosphoproteins, including 55 novel phosphopeptides, we reveal BCR and NF‐kβ/STAT3 signaling in disease ...
Paula Díez, Pablo Juanes‐Velasco, Marina L. García‐Vaquero, Conrad Droste, Alicia Landeira‐Viñuela, Miguel Alcoceba, Helena Fidalgo‐Gómez, Sara Misiego‐Herrero, Almudena Navarro‐Bailón, Mónica Baile, José M. Bastida, Jose Manuel Sanchez‐Santos, Rafael Góngora, Julia Almeida, Marcos Gonzalez‐Diaz, Alberto Orfao, Javier De Las Rivas, Manuel Fuentes   +17 more
wiley   +1 more source

A computational study of CS bond dissociation enthalpies in petroleum chemistry [PDF]

Heteroatom Chemistry, 2010
AbstractHigh‐level theoretical methods (BMK, B3LYP, B98, B3P86, B3PW91, PBE1PBE, PBE1KIS, MPWPW91, MPW1KCIS, TPSS1KCIS, G3, G3//BMK, and CBS‐Q) were utilized to study the carbon–sulfur bond dissociation enthalpies (BDEs) of hydrocarbons in petroleum chemistry.
Xi-Rui Hu, Jing Shi, Shuang Liang
openaire   +1 more source

Hydrogen molecule in a magnetic field: The lowest states of the Pi manifold and the global ground state of the parallel configuration

, 1997
The electronic structure of the hydrogen molecule in a magnetic field is investigated for parallel internuclear and magnetic field axes. The lowest states of the $\Pi$ manifold are studied for spin singlet and triplet$(M_s = -1) $ as well as gerade and ...
A. V. Korolev, A. V. Turbiner, B. Johnson, D. Lai, D. Lai, D. T. Colbert, E. A. Colbourn, G. Ortiz, H. Friedrich, J. E. Avron, J. Kemp, J. P. Ostriker, J. Trümper, L. S. Cederbaum, L. Wolniewicz, L. Wolniewicz, P. Schmelcher, P. Schmelcher, P. Schmelcher, P. Schmelcher, P. Schmelcher, R. S. Mulliken, S. Basile, S. T. Chiu, T. Detmer, T. Detmer, T. Detmer, T. S. Monteiro, U. Kappes, U. Kappes, U. Kappes, U. Kappes, U. Kappes, U. Kappes, U. Wille, W. Kolos, Y. P. Kravchenko   +36 more
core   +1 more source

The anticancer effect of the HDAC inhibitor belinostat is enhanced by inhibitors of Bcl‐xL or Mcl‐1 in ovarian cancer

Molecular Oncology, EarlyView.
The pan‐HDAC inhibitor belinostat increases the expression of the pro‐apoptotic proteins Bim, Puma, and Noxa and induces apoptosis in ovarian cancer cell lines and patient‐derived tumor organoids when used at high concentrations. Moreover, inhibiting the anti‐apoptotic proteins Bcl‐xL or Mcl‐1 sensitizes these preclinical models to the cytotoxic effect
Cécilia Thomine, Sterenn Guillemot, Louis‐Bastien Weiswald, Romane Florent, Edwige Abeilard, Florence Giffard, Emilie Brotin, Mélanie Briand, Enora Dolivet, Laurent Poulain, Marie Villedieu   +10 more
wiley   +1 more source

Antioxidant Motifs in Flavonoids: O–H versus C–H Bond Dissociation

ACS Omega, 2019
Flavonoids provide potential health benefits due to their antioxidant properties. The antioxidant activity of natural flavonoids is primarily exerted by phenolic hydroxyl groups; however, C–H bonds also contribute to these properties.
Q. Vo, P. Nam, N. M. Thong, N. T. Trung, C. Phan, Adam Mechler   +5 more
semanticscholar   +1 more source

Sensing Microorganisms Using Rapid Detection Methods: Supramolecular Approaches

Biosensors
Supramolecular chemistry relies on the dynamic association/dissociation of molecules through non-covalent interactions. These interactions of a self-assembled system can be strategically exploited for sensing several microorganisms.
Hiya Lahiri, Kingshuk Basu
doaj   +1 more source

Improved Potential Energy Surface of Ozone Constructed Using the Fitting by Permutationally Invariant Polynomial Function [PDF]

, 2012
New global potential energy surface for the ground electronic state of ozone is constructed at the complete basis set level of the multireference configuration interaction theory.
Ayouz, M., Babikov, Dmitri
core   +3 more sources

Systematic profiling of cancer‐fibroblast interactions reveals drug combinations in ovarian cancer

Molecular Oncology, EarlyView.
Fibroblasts, cells in the tumor environment, support ovarian cancer cell growth and alter morphology and drug response. We used fibroblast and cancer cell co‐culture models to test 528 drugs and discovered new drugs for combination treatment. We showed that adding Vorinostat or Birinapant to standard chemotherapy may improve drug response, suggesting ...
Greta Gudoityte, Osheen Sharma, Laura Leuenberger, Emelie Wallin, Josefin Fernebro, Päivi Östling, Rebecka Bergström, Johan Lindberg, Ulrika Joneborg, Olli Kallioniemi, Brinton Seashore‐Ludlow   +10 more
wiley   +1 more source

New Benchmark Set of Transition-Metal Coordination Reactions for the Assessment of Density Functionals [PDF]

, 2014
We present the WCCR10 data set of ten ligand dissociation energies of large cationic transition metal complexes for the assessment of approximate exchange--correlation functionals.
Chen, Peter, Couzijn, Erik P. A., Reiher, Markus, Weymuth, Thomas   +3 more
core   +1 more source