Results 231 to 240 of about 1,015,340 (312)

pH‐Tunable Material Properties of Glycine‐Rich Condensates from Tick Bioadhesive

Advanced Functional Materials, EarlyView.
This work studies the influence of pH on the phase separation behavior of a disordered glycine‐rich protein found in tick bioadhesive. The results show profound impact on the propensity of coacervation, condensate microstructure and viscosity, amphiphilicity of the peptides, and effective encapsulation of therapeutic molecules.
Manali Nandy, Udit Ghosh, Ketan A. Ganar, Hans Ippel, Ingrid Dijkgraaf, Siddharth Deshpande   +5 more
wiley   +1 more source

Binding of Soluble Ligands to Membrane Receptors: A Molecular Dynamics Simulation Study. [PDF]

J Phys Chem B
Hou R, Gao J, Chen J, Wang R, Różycki B, Hu J.   +5 more
europepmc   +1 more source

Expanding Chemical Space of Nucleic Acid Nanoparticles for Tunable Antiviral‐Like Immunomodulatory Responses and Potent Adjuvant Activity

Advanced Functional Materials, EarlyView.
We introduce a nucleic acid nanoparticle (NANP) platform designed to be rrecognized by the human innate immune system in a regulated manner. By changing chemical composition while maintaining constant architectural parameters, we identify key determinants of immunorecognition enabling the rational design of NANPs with tunable immune activation profiles
Martin Panigaj, Hannah S. Newton, Jian Wang, Laxmi Pandey, Yelixza I. Avilla, Phong Nguyen, Morgan Chandler, Justin Halman, Yasmine Radwan, Stephanie Smith, Elijah Edmondson, Simone Difilippantonio, Chelsea Sanders, Bao Tran, Yongmei Zhao, Shaojun Xie, Edward Cedrone, Barry W. Neun, Meni Wanunu, Nikolay V. Dokholyan, Marina A. Dobrovolskaia, Kirill A. Afonin   +21 more
wiley   +1 more source

Exploring potential targets and molecular mechanisms of traumatic brain injury exacerbated by Benzo(a)pyrene via network toxicology and molecular dynamics simulation. [PDF]

Cell Biol Toxicol
Hu H, Hu Y, Wan S, Wang Q, Li H.
europepmc   +1 more source

Bipolar Hydrogen Production by Hybrid Water Electrolysis

Advanced Functional Materials, EarlyView.
This review focuses on the recent advances in uniqueness bipolar H2 production from the oxidation of representative small molecules, including 5‐hydroxymethylfurfural, formaldehyde, alcohols, and N‐heterocycle amides. The target electrocatalysts and the underlying mechanisms are discussed in respect to specific substrate oxidation.
Jiachen Li, Ting Zhang, Yuqiang Ma, Zihang Zhao, Haixia Ma, Zhengxiao Guo   +5 more
wiley   +1 more source

PolyPal: A Python Package for Molecular Dynamics Simulation of Amorphous Polymers. [PDF]

J Chem Theory Comput
Warndorf MC, Swager TM, Alexander-Katz A.   +2 more
europepmc   +1 more source

Comprehensive Insights into the Cholesterol-Mediated Modulation of Membrane Function through Molecular Dynamics Simulations [PDF]

Ehsaneh Khodadadi, Ehsan Khodadadi, Parth Chaturvedi, Mahmoud Moradi   +3 more
openalex   +1 more source

Tailoring the Properties of Functional Materials With N‐Oxides

Advanced Functional Materials, EarlyView.
The properties of materials bearing N‐oxide groups are often dominated by the polar N+─O− bond. It provides hydrophilicity, selective ion‐binding, electric conductivity, or antifouling properties. Many of the underlying mechanisms have only recently been discovered, and the interest in N‐oxide materials is rapidly growing.
Timo Friedrich, Michelle Kobus, Shirin Mesgarha, Erica Moretto, Laurens Grosche, Wolfgang Maison   +5 more
wiley   +1 more source

Structure of Strontium Aluminosilicate Glasses from Molecular Dynamics Simulation, Neutron Diffraction, and Nuclear Magnetic Resonance Studies

, 2018
Thibault Charpentier, Kirill Okhotnikov, Alexey Novikov, Louis Hennet, Henry E. Fischer, Daniel R. Neuville, Pierre Florian   +6 more
openalex   +2 more sources