Results 31 to 40 of about 725,685 (298)

Reaction rate of a composite core-shell nanoreactor with multiple, spatially distributed embedded nano-catalysts [PDF]

open access: yes, 2016
We present a detailed theory for the total reaction rate constant of a composite core-shell nanoreactor, consisting of a central solid core surrounded by a hydrogel layer of variable thickness, where a given number of small catalytic nanoparticles are ...
Angioletti-Uberti, Stefano   +5 more
core   +5 more sources

Network divergence analysis identifies adaptive gene modules and two orthogonal vulnerability axes in pancreatic cancer

open access: yesMolecular Oncology, EarlyView.
Tumors contain diverse cellular states whose behavior is shaped by context‐dependent gene coordination. By comparing gene–gene relationships across biological contexts, we identify adaptive transcriptional modules that reorganize into distinct vulnerability axes.
Brian Nelson   +9 more
wiley   +1 more source

Sensing the structural and conformational properties of single-stranded nucleic acids using electrometry and molecular simulations

open access: yesScientific Reports
Inferring the 3D structure and conformation of disordered biomolecules, e.g., single stranded nucleic acids (ssNAs), remains challenging due to their conformational heterogeneity in solution.
Rowan Walker-Gibbons   +4 more
doaj   +1 more source

Generalizations of Wiener polarity index and terminal Wiener index

open access: yes, 2012
In theoretical chemistry, distance-based molecular structure descriptors are used for modeling physical, pharmacologic, biological and other properties of chemical compounds.
Ilic, Aleksandar, Ilic, Milovan
core   +1 more source

Solvation thermodynamics of organic molecules by the molecular integral equation theory : approaching chemical accuracy [PDF]

open access: yes, 2015
The integral equation theory (IET) of molecular liquids has been an active area of academic research in theoretical and computational physical chemistry for over 40 years because it provides a consistent theoretical framework to describe the structural ...
Fedorov, Maxim V.   +2 more
core   +1 more source

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

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

Multilayered plasmonic nanostructures for solar energy harvesting

open access: yes, 2018
Optical properties of core-shell-shell Au@SiO2@Au nanostructures and their solar energy harvesting applications are theoretically investigated using Mie theory and heat transfer equations.
Le, Nam B.   +3 more
core   +1 more source

A light‐triggered Time‐Resolved X‐ray Solution Scattering (TR‐XSS) workflow with application to protein conformational dynamics

open access: yesFEBS Open Bio, EarlyView.
Time‐resolved X‐ray solution scattering captures how proteins change shape in real time under near‐native conditions. This article presents a practical workflow for light‐triggered TR‐XSS experiments, from data collection to structural refinement. Using a calcium‐transporting membrane protein as an example, the approach can be broadly applied to study ...
Fatemeh Sabzian‐Molaei   +3 more
wiley   +1 more source

Structural dynamics of myosin 5 during processive motion revealed by interferometric scattering microscopy

open access: yeseLife, 2015
Myosin 5a is a dual-headed molecular motor that transports cargo along actin filaments. By following the motion of individual heads with interferometric scattering microscopy at nm spatial and ms temporal precision we found that the detached head ...
Joanna Andrecka   +8 more
doaj   +1 more source

Chemical evolution in the early phases of massive star formation. I [PDF]

open access: yes, 2014
Understanding the chemical evolution of young (high-mass) star-forming regions is a central topic in star formation research. Chemistry is employed as a unique tool 1) to investigate the underlying physical processes and 2) to characterize the evolution ...
Beuther, H.   +7 more
core   +1 more source

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