Results 101 to 110 of about 60,798 (279)

Fukui and dual-descriptor matrices within the framework of spin-polarized density functional theory

Physical Chemistry Chemical Physics, 2013
This work deals with the Fukui and dual reactivity descriptors within the framework of the spin-polarized density functional theory. The first and second derivatives of the electron density and the spin density with respect to the total number of electrons N = Nα + Nβ and with respect to the spin number NS = Nα-Nβ have been formulated by means of ...
Alcoba, Diego Ricardo, Lain, Luis, Torre, Alicia, Oña, Ofelia Beatriz, Chamorro, Marcelo Eduardo   +4 more
openaire   +5 more sources

Adenosine‐to‐inosine editing of miR‐200b‐3p is associated with the progression of high‐grade serous ovarian cancer

Molecular Oncology, EarlyView.
A‐to‐I editing of miRNAs, particularly miR‐200b‐3p, contributes to HGSOC progression by enhancing cancer cell proliferation, migration and 3D growth. The edited form is linked to poorer patient survival and the identification of novel molecular targets.
Magdalena Niemira, Anna Skwarska, Karolina Chwialkowska, Agnieszka Ostrowska, Gabriela Sokolowska, Anna Zeller, Anna Erol, Andrzej Eljaszewicz, Bartosz Hanczaruk, Anna Michalska‐Falkowska, Agnieszka Tarasik, Joanna Reszec‐Gielazyn, Pawel Knapp, Marcin Moniuszko, Adam Kretowski   +14 more
wiley   +1 more source

Fukui and dual-descriptor matrices in the basis-set representation: A spin-free approach

Chemical Physics Letters, 2012
Abstract This Letter deals with matrix extensions of the Fukui and dual-descriptor functions which are represented in a basis set by means of a spin-free treatment. A study of the eigenvalues of these matrices and of the values of the coefficients which express their eigenvectors provides important information concerning molecular reactivity ...
Alcoba, Diego Ricardo, Tiznado, William, Oña, Ofelia Beatriz, Torre, Alicia, Lain, Luis   +4 more
openaire   +4 more sources

Integrated genomic and proteomic profiling reveals insights into chemoradiation resistance in cervical cancer

Molecular Oncology, EarlyView.
A comprehensive genomic and proteomic analysis of cervical cancer revealed STK11 and STX3 as a potential biomarkers of chemoradiation resistance. Our study demonstrated EGFR as a therapeutic target, paving the way for precision strategies to overcome treatment failure and the DNA repair pathway as a critical mechanism of resistance.
Janani Sambath, Irene A. George, Srikanth S. Manda, Prasanth Ariyannur, Ekta R. Dhawale, Raja Sekhar Kommu, Rajan Datar, Darshana Patil, Vinita Trivedi, Manisha Singh, Kumar Prabhash, Sewanti Limaye, Richa Chauhan, Prashant Kumar   +13 more
wiley   +1 more source

Rationalization of Diels–Alder reactions through the use of the dual reactivity descriptor Δf(r)

Physical Chemistry Chemical Physics, 2008
In this work, the dual descriptor of chemical reactivity, an electronic density-based index, is used to study both the regioselectivity and the stereoselectivity of Diels-Alder reactions. The descriptor has been designed to simultaneously delineate the nucleophilic and electrophilic sites within a molecule.
Morell, Christophe, Ayers, Paul W., Grand, André, Gutiérrez Oliva, Soledad, Toro Labbé, Alejandro   +4 more
openaire   +5 more sources

Gut microbiota diversity is prognostic in metastatic hormone receptor‐positive breast cancer patients receiving chemotherapy and immunotherapy

Molecular Oncology, EarlyView.
In this exploratory study, we investigated the relationship between the gut microbiota and outcome in patients with metastatic hormone receptor‐positive breast cancer, treated in a randomized clinical trial with chemotherapy alone or chemotherapy in combination with immune checkpoint blockade.
Andreas Ullern, Kristian Holm, Nikolai Kragøe Andresen, Andreas Hagen Røssevold, Corinna Bang, Bjørn Naume, Johannes R. Hov, Jon Amund Kyte   +7 more
wiley   +1 more source

DESARROLLO DE LOS ÍNDICES DE PODER ELECTROFÍLICO Y NUCLEOFÍLICO DENTRO DEL MARCO CONCEPTUAL DE LA TEORÍA DEL FUNCIONAL DE LA DENSIDAD

Química Nova
In this work, the electrophilic and nucleophilic power indices were developed in the basis of canonical and grand canonical ensembles respectively, also local versions of these indices has been derived in analogy to philicity concept by Chattaraj. It can
Said F. Figueredo, Manuel S. Páez, Jong-Won Song   +2 more
doaj   +1 more source

Modeling hepatic fibrosis in TP53 knockout iPSC‐derived human liver organoids

Molecular Oncology, EarlyView.
This study developed iPSC‐derived human liver organoids with TP53 gene knockout to model human liver fibrosis. These organoids showed elevated myofibroblast activation, early disease markers, and advanced fibrotic hallmarks. The use of profibrotic differentiation medium further amplified the fibrotic signature seen in the organoids.
Mustafa Karabicici, Soheil Akbari, Ceyda Caliskan, Canan Celiker, Ozden Oz, Leman Binokay, Gökhan Karakulah, Serif Senturk, Esra Erdal   +8 more
wiley   +1 more source

PYCR1 inhibition in bone marrow stromal cells enhances bortezomib sensitivity in multiple myeloma cells by altering their metabolism

Molecular Oncology, EarlyView.
This study investigated how PYCR1 inhibition in bone marrow stromal cells (BMSCs) indirectly affects multiple myeloma (MM) cell metabolism and viability. Culturing MM cells in conditioned medium from PYCR1‐silenced BMSCs impaired oxidative phosphorylation and increased sensitivity to bortezomib.
Inge Oudaert, Lauren van den Broecke, Osman Aksoy, Judith Lind, Sonia Vallet, Arne Van der Vreken, Gamze Ates, Ann Massie, Ken Maes, Kim De Veirman, Elke De Bruyne, Karin Vanderkerken, Klaus Podar, Eline Menu   +13 more
wiley   +1 more source

Convolutional neural networks and local binary patterns for hyperspectral image classification

European Journal of Remote Sensing, 2019
Convolutional neural networks (CNNs) have strong feature extraction capability, which have been used to extract features from the hyperspectral image. Local binary pattern (LBP) is a simple but powerful descriptor for spatial features, which can lessen ...
Xiangpo Wei, Xuchu Yu, Bing Liu, Lu Zhi
doaj   +1 more source