Results 31 to 40 of about 68,378 (315)

Influence and Mechanism of Polar Solvents on the Retention Time of Short-Chain Fatty Acids in Gas Chromatography

open access: yesSeparations, 2022
Short-chain fatty acids (SCFAs), produced by microbes when dietary fiber ferments in the colon, are one of the most studied microbial products despite their volatility and complex matrices, which make analysis challenging. In the current study, we sought
Mu Ren, Narantsogt Natsagdorj, Na Shun
doaj   +1 more source

Enhancing Potential of Trimethylamine Oxide on Atmospheric Particle Formation

open access: yesAtmosphere, 2019
The role of an oxidation product of trimethylamine, trimethylamine oxide, in atmospheric particle formation is studied using quantum chemical methods and cluster formation simulations.
Nanna Myllys   +3 more
doaj   +1 more source

Graphene–Catechol Dental Sealant: Antibacterial and Mechanical Evaluation

open access: yesAdvanced Engineering Materials, EarlyView.
This study presents dental sealants made with graphene and L‐DOPA‐modified graphene. L‐DOPA enhances graphene dispersion, improving sealant properties. The material shows antibacterial activity against S. mutans and L. casei, along with high strength and elasticity.
Renata Pereira   +6 more
wiley   +1 more source

First‐Principles Modeling of Solid Solution Softening and Hardening Effects in Al–Mg–Zr–Si Aluminum Alloys

open access: yesAdvanced Engineering Materials, EarlyView.
The role of various alloying elements in face‐centered cubic aluminum on the barrier of a Shockley partial dislocation during its motion is presented. The study aims to understand how alloying atoms such as Mg, Si, and Zr affect the energy landscape for dislocation motion, thus influencing the solid solution hardening and softening in aluminum, which ...
Inna Plyushchay   +3 more
wiley   +1 more source

Theoretical Study of Thermal Cracking For Acenaphthylene Molecule

open access: yesمجلة بغداد للعلوم, 2013
Density Functional Theory (DFT) calculations were carried out to study the thermal cracking for acenaphthylene molecule to estimate the bond energies for breaking C8b-C5a , C5a-C5 , C5-C4 , and C5-H5 bonds as well as the activation energies.
Baghdad Science Journal
doaj   +1 more source

Microcellular Poly (Ethylene‐Co‐Vinyl Acetate)/Lignin Nanocomposites for Soft Ferroelectrets

open access: yesAdvanced Engineering Materials, EarlyView.
Lignin valorization for advanced porous polymer nanocomposites development and an upscaling route for continuous manufacturing of soft ferroelectrets for energy harvesting are studied. This work examines the role of lignin and carbon nanotubes (CNT) in modifying the mechanical, dielectric, and ferroelectret properties of poly (ethylene‐co‐vinyl acetate)
Yuchen Lian   +5 more
wiley   +1 more source

Study of Spectroscopy and Thermodynamic Properties for Germanium Tetrafluoride GeF4 Molecular and Study of Potential Energy Curve for Bond (Ge-F) [PDF]

open access: yesEngineering and Technology Journal, 2011
In This research Complete study Spectroscopic and Thermodynamic properties for molecule GeF4 . This included calculation of potential energy curve .
doaj   +1 more source

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

open access: yesAdvanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund   +6 more
wiley   +1 more source

Do Hydrogen Bonds Influence Excitonic Splittings?

open access: yesCHIMIA, 2016
The excitonic splitting and vibronic quenching of the inversion-symmetric homodimers of benzonitrile, (BN)2, and meta-cyanophenol, (mCP)2, are investigated by two-color resonant two-photon ionization spectroscopy.
Franziska A. Balmer   +2 more
doaj   +1 more source

Synthesis, characterization, DFT studies, and molecular modeling of azo dye derivatives as potential candidate for trypanosomiasis treatment

open access: yesChemical Physics Impact, 2022
This research aims to synthesize four compounds (CMP1, CMP2, CMP3 and CMP4) and determine their suitability for the formulation of the drugs for the treatment of sleeping sickness caused by Trypanosoma cruzi, a vector-borne parasitic disease, commonly ...
Ernest C. Agwamba   +8 more
doaj   +1 more source

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