Results 51 to 60 of about 37,778 (278)

On the zwitterionic nature of gas-phase peptides and protein ions. [PDF]

PLoS Computational Biology, 2010
Determining the total number of charged residues corresponding to a given value of net charge for peptides and proteins in gas phase is crucial for the interpretation of mass-spectrometry data, yet it is far from being understood.
Roberto Marchese, Rita Grandori, Paolo Carloni, Simone Raugei   +3 more
doaj   +1 more source

Polarizable Vanadium Dipoles Promote Water Dissociation on Vanadium‐Based Metal Organic Framework

Advanced Functional Materials, EarlyView.
The polarization of unpaired V 3d electrons weakens the H─O bond to improve water dissociation by the dual Vδ+:O─H and Pλ−:H─O coupling hydrogen bonds formation and relaxation. P@V‐MOF electrocatalyst shows low overpotentials (94 mV in acid, 178 mV in neutral, and 77 mV in alkaline solutions) with excellent stability for effective overall water ...
Xinjuan Liu, Jun Xu, Minmin Fan, Jingcheng Xu, Mengyuan Li, Yun Gong, Weiwei Yang, Lei Li, Yong Zhou, Deqiang Zhao, Yuhua Xue, Xingtao Xu, Chang Q. Sun, Liming Dai   +13 more
wiley   +1 more source

Experimental test of connector rotation during DNA packaging into bacteriophage phi29 capsids [PDF]

, 2007
The bacteriophage phi29 generates large forces to compact its double-stranded DNA genome into a protein capsid by means of a portal motor complex. Several mechanical models for the generation of these high forces by the motor complex predict coupling of ...
Hetherington, Craig L., Craig L Hetherington, Falk, Wayne, Wayne Falk, Thorsten Hugel, Jardine, Paul J., Falk Wayne, Hugel Thorsten, Bustamante, Carlos, Grimes Shelley, Michaelis, Jens, Walter Jessica M, Bustamante Carlos, Michaelis Jens, Anderson, Dwight L., Hugel, Thorsten, Grimes, Shelley, Paul J Jardine, Jessica M Walter, Walter, Jessica M., Jardine Paul J, Dwight L Anderson, Jens Michaelis, Anderson Dwight L, Carlos Bustamante, Hetherington Craig L, Shelley Grimes   +26 more
core   +1 more source

The role of activated carbon nanoparticles on hydro-degumming non-edible vegetable oils

Alexandria Engineering Journal, 2022
This study aims to assess the role of activated carbon nanoparticles in hydro-degumming non-edible vegetable oils. Bamboo Activated Carbon Nanoparticles (BAC-NPs) is added to oils in degumming process.
Syahruddin Syahruddin, Lilis Yuliati, Denny Widhiyanuriyawan, I.N.G. Wardana   +3 more
doaj   +1 more source

Myrcene‐Based Tailored Co‐Polymers as Active Pharmaceutical Excipients: Bio‐Based Solutions for Mucoadhesive Excipients

Advanced Functional Materials, EarlyView.
Mucoadhesive amphiphilic block and statistical copolymers were synthesized via Reversible Addition–Fragmentation Chain Transfer polymerization from bio‐sourced myrcene and polyethylene glycol methacrylate. The resulting polymers exhibit narrow molar‐mass distributions, high regioselectivity, well‐defined microstructures, and tend to self‐assemble into ...
David Gintsburg, Selin Görkem Sari, Lana Molnar, Annabelle Knoll, Effrosyni‐Maria Kosti, Anna Seybold, Gozde Deveci, Nico Bruns, Andreas Bernkop‐Schnürch, Gergely Kali   +9 more
wiley   +1 more source

RETRACTED ARTICLE: Comparing ANI-2x, ANI-1ccx neural networks, force field, and DFT methods for predicting conformational potential energy of organic molecules

Scientific Reports
In this study, the conformational potential energy surfaces of Amylmetacresol, Benzocaine, Dopamine, Betazole, and Betahistine molecules were scanned and analyzed using the neural network architecture ANI-2 × and ANI-1ccx, the force field method OPLS ...
Mozafar Rezaee, Saeid Ekrami, Seyed Majid Hashemianzadeh   +2 more
doaj   +1 more source

Hydrogen Intramolecular Stretch Redshift in the Electrostatic Environment of Type II Clathrate Hydrates from Schrödinger Equation Treatment

Applied Sciences, 2020
The one-dimensional Schrödinger equation, applied to the H2 intramolecular stretch coordinate in singly to quadruply occupied large cages in extended Type II (sII) hydrogen clathrate hydrate, was solved numerically herein via potential-energy scans from ...
Christian J. Burnham, Zdenek Futera, Zlatko Bacic, Niall J. English   +3 more
doaj   +1 more source

Performance evaluation of flexible macrocycle docking in AutoDock

QRB Discovery, 2022
Macrocycles represent an important class of ligands, both in natural products and designed drugs. In drug design, macrocyclizations can impart specific ligand conformations and contribute to passive permeation by encouraging intramolecular H-bonds ...
Matthew Holcomb, Diogo Santos-Martins, Andreas F. Tillack, Stefano Forli   +3 more
doaj   +1 more source

The effect of driving force on intramolecular electron transfer in proteins [PDF]

European Journal of Biochemistry, 1992
An intramolecular electron‐transfer process has previously been shown to take place between the Cys3‐Cys26 radical‐ion (RSSR−) produced pulse radiolytically and the Cu(II) ion in the blue single‐copper protein, azurin [Farver, O. & Pecht, I. (1989) Proc. Natl Acad. Sci. USA 86, 6868–6972].
Farver, O., Skov, L.K., Kamp, M. van de, Canters, G.W., Pecht, I.   +4 more
openaire   +3 more sources

Clusterization‐Triggered Emission from Cellulose‐Based Luminophores in Dilute Aqueous Solution through Imine Formation

Advanced Functional Materials, EarlyView.
Clusterization‐triggered emission is realized in dilute aqueous solution by introducing imine linkages into cellulose‐based luminophores. Imine functionalization creates O/N‐rich, hydrogen‐bonded clustered microenvironments that stabilize emissive states and restrict molecular motions. Luminescence is tunable by amine type and multiplicity.
Yazhou Su, Akihide Sugawara, Madhurangika Panchabashini Horathal Pedige, Youhei Takeda, Satoshi Minakata, Hiroshi Uyama   +5 more
wiley   +1 more source