Results 91 to 100 of about 92,868 (198)

Instantaneous energy transfer of water: a comparison between ab initio and classical molecular dynamics

Journal of Thermal Science and Technology
Water is fundamental to a range of natural phenomena and is equally crucial in various engineering applications that demand efficient energy utilization, such as energy conversion with chemical reactions.
Kanna YAMAJI, Kunio FUJIWARA, Masahiko SHIBAHARA   +2 more
doaj   +1 more source

Atomically resolved imaging of the conformations and adsorption geometries of individual β-cyclodextrins with non-contact AFM

Nature Communications
Glycans, consisting of covalently linked sugar units, are a major class of biopolymers essential to all known living organisms. To better understand their biological functions and further applications in fields from biomedicine to materials science ...
Márkó Grabarics, Benjamín Mallada, Shayan Edalatmanesh, Alejandro Jiménez-Martín, Martin Pykal, Martin Ondráček, Petra Kührová, Weston B. Struwe, Pavel Banáš, Stephan Rauschenbach, Pavel Jelínek, Bruno de la Torre   +11 more
doaj   +1 more source

Ultrasound-activated mechanochemical reactions for controllable biomedical applications

Smart Materials in Medicine
Intramolecular bonds in small organic molecules, macromolecules, and organic-inorganic hybrids are broken or formed by ultrasound-activated mechanical force that can be applied with spatial and temporal precision for contactless external control of ...
Maocheng Zuo, Rong Xiao, Fangxue Du, Chong Cheng, Raul D. Rodriguez, Lang Ma, Bihui Zhu, Li Qiu   +7 more
doaj   +1 more source

Hypertrophic cardiomyopathy mutations Y115H and E497D disrupt the folded-back state of human β-cardiac myosin allosterically

Nature Communications
At the molecular level, clinical hypercontractility associated with many hypertrophic cardiomyopathy (HCM)-causing mutations in β-cardiac myosin appears to be driven by their disruptive effect on the energy-conserving, folded-back ‘OFF’-state of myosin ...
Neha Nandwani, Debanjan Bhowmik, Camille Glaser, Matthew Carter Childers, Rama Reddy Goluguri, Aminah Dawood, Michael Regnier, Anne Houdusse, James A. Spudich, Kathleen M. Ruppel   +9 more
doaj   +1 more source

Configurational Temperature in Membrane Simulations Using Dissipative Particle Dynamics

, 2005
The use of excessively long timesteps in dissipative particle dynamics simulations may produce simulation artifacts due to the generation of configurations which are not representative of the desired canonical ensemble.
Allen, Michael P.
core  

Errata: Quantization of Molecules, Inter- and Intramolecular Forces [PDF]

Physical Review, 1943
Kasimir Fajans, Theodore Berlin
openaire   +1 more source

Deformable dielectrics. II: Voigt's intramolecular force balance in elastic dielectrics

, 1977
Od Vol. 43, issue 1 (1991) wyd.: Polish Scientific Publishers = PWN ; Od Vol. 50, issue 4 (1998) wyd.: Agencja Reklamowo-Wydawnicza A. Grzegorczyk ; Od Vol. 53, issue 4/5 (2001) wyd: PAS. IFTR ; 1-192 pages ; 24 cm ; Od Vol. 43, issue 1 (1991) wyd.: Polish Scientific Publishers = PWN ; Od Vol.
openaire   +1 more source

Capturing Carbohydrate Conformations and Hydration Interactions with a Polarizable Bond Dipole Potential. [PDF]

Molecules
Bai MY, Zheng XH, Gao SS, Jiang XN, Zhu JY, Hao Q, Gong LD, Wang L, Wang CS.   +8 more
europepmc   +1 more source

Phase Coexistence in Thermoresponsive PNIPAM Hydrogels Triggered by Mechanical Forces. [PDF]

Macromolecules
Cohen N.
europepmc   +1 more source

Neutron Diffraction and Spectroscopic Studies of Intramolecular Tetrel Bonds in Three Fluorinated Zinc Complexes: Significant Redshift in the sp³ C-H Stretch Confirmed by Experiments and Theory. [PDF]

J Am Chem Soc
Lu N, Gurumallappa G, Liu PY, Chan KL, Huang YC, Lin YC, Hsieh YT, Zeng PX, Gowda Y, Tsai MH, Tessema E, Chang HC, Francisco JS.   +12 more
europepmc   +1 more source