Results 41 to 50 of about 971,618 (331)

Chemistry in Dense Molecular Clouds: Theory and Observational Constraints [PDF]

open access: yes, 1988
For the most part, gas phase models of the chemistry of dense molecular clouds predict the abundances of simple species rather well. However, for larger molecules and even for small systems rich in carbon these models often fail spectacularly.
Blake, Geoffrey A.
core  

Quantum dynamics of bio-molecular systems in noisy environments [PDF]

open access: yes, 2011
We discuss three different aspects of the quantum dynamics of bio-molecular systems and more generally complex networks in the presence of strongly coupled environments.
Huelga, S. F., Plenio, M. B.
core   +2 more sources

Chemoresistome mapping in individual breast cancer patients unravels diversity in dynamic transcriptional adaptation

open access: yesMolecular Oncology, EarlyView.
This study used longitudinal transcriptomics and gene‐pattern classification to uncover patient‐specific mechanisms of chemotherapy resistance in breast cancer. Findings reveal preexisting drug‐tolerant states in primary tumors and diverse gene rewiring patterns across patients, converging on a few dysregulated functional modules. Despite receiving the
Maya Dadiani   +14 more
wiley   +1 more source

Effects of transition metals incorporated into perovskite crystals on the electronic structures and magnetic properties by first-principles calculation

open access: yesHeliyon, 2018
Additive effects of transition metals (M = Cr2+, Co2+, Cu2+ and Y3+) on the electronic structures and magnetic properties of formamidinium lead halide perovskite compounds (FAPbI3, where FA = NH2CHNH2+) were investigated by first-principle calculation ...
Atsushi Suzuki, Takeo Oku
doaj  

Computação em química teórica: informações técnicas Computation in theoretical chemistry: technical informations

open access: yesQuímica Nova, 2001
The purpose of this work is to demonstrate the usefulness of low cost high performance computers. It is presented technics and software packages used by computational chemists.
Nelson Henrique Morgon
doaj   +1 more source

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

open access: yesMolecular 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   +10 more
wiley   +1 more source

Association of high‐dose radioactive iodine therapy with PPM1D‐mutated clonal hematopoiesis in older individuals

open access: yesMolecular Oncology, EarlyView.
In thyroid cancer patients, high‐dose (≥7.4 GBq) radioactive iodine therapy (RAIT) was associated with a higher prevalence of clonal hematopoiesis (variant allele frequency >2%) in individuals aged ≥50 years (OR = 2.44). In silico analyses showed that truncating PPM1D mutations conferred a selective advantage under these conditions.
Jaeryuk Kim   +11 more
wiley   +1 more source

Quantum dynamical study of rotational excitations in SiS (X 1Σ+) molecule by H collisions

open access: yesHeliyon, 2019
The knowledge of accurate rate coefficients for collisional excitation of molecules by the abundant chemical species like He, H2 and H is important in modeling the conditions of interstellar medium.
Bhargava Anusuri
doaj  

A dimeric chlorophyll electron acceptor differentiates type I from type II photosynthetic reaction centers

open access: yesiScience, 2021
Summary: This research addresses one of the most compelling issues in the field of photosynthesis, namely, the role of the accessory chlorophyll molecules in primary charge separation.
Michael Gorka   +5 more
doaj  

Challenges in Simulating Light-Induced Processes in DNA

open access: yesMolecules, 2016
In this contribution, we give a perspective on the main challenges in performing theoretical simulations of photoinduced phenomena within DNA and its molecular building blocks.
Philipp Marquetand   +4 more
doaj   +1 more source

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