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Toxic potential of Poly-hexamethylene biguanide hydrochloride (PHMB): A DFT, AIM and NCI analysis study with solvent effects
(Elsevier B.V., 2022)
In the current study, the toxic material Poly-hexamethylene biguanide hydrochloride (PHMB) has been characterized by UV–Visible and infrared spectroscopy in different solvent environments. The nature of the molecular ...
Non-negative matrix factorization and differential expression analyses identify hub genes linked to progression and prognosis of glioblastoma multiforme
(Elsevier B.V., 2022)
One of the most prevailing primary brain tumors in adult human male is glioblastoma multiforme (GBM), which
is categorized by rapid cellular growth. Even though the combination therapy comprises surgery, chemotherapy,
and ...
Wind speed measurement with a low-cost polymer optical fiber anemometer based on Fresnel reflection
(Elsevier B.V., 2022)
This study designed and experimentally verified a simple and low-cost anemometer based on Fresnel reflection using Polymer Optical Fiber (POF). The system was developed especially for wind speed measurement in harsh ...
Analytical analysis and experimental validation of optical power estimation in V-grooved polymer optical fibers
(Elsevier Gmbh, 2022)
In this study, analytical and experimental research of V-grooved polymer optical fibers (POFs)' optical power loss characteristics is carried out. A simple mathematical model that can determine the optical output power and ...
Optical and photonic properties dependence on HNMB solvents: An emitter molecule for OLEDs
(Elsevier Gmbh, 2022)
The development of organic light-emitting diodes (OLEDs) is very important due to their use in new generation lighting and displays, their color resolution and their unique optical properties. Herein, the change of the ...
New optoelectronic material based on biguanide for orange and yellow organic light emitting diode: A combined experimental and theoretical study
(Elsevier B.V., 2022)
In this study, the effects of dimethyl sulfoxide (DMSO), ethanol, methanol, and water solvents on the electronic, optical, and some electrical and sensing properties of the Poly-hexamethylene biguanide hydrochloride (PHMB) ...
DFT, DFTB and TD-DFT theoretical investigations of p-conjugated molecules based on thieno[2,3-b] indole for dye-sensitized solar cell applications
(Elsevier, 2022)
In this study, the electrochemical, photovoltaic and absorption properties of the new designed organic sensitizers dyes: Dye-1, Dye-2, Dye-3 and Dye-4 based on Dye-R, of D-pi-A architecture, before and after binding to the ...
A density functional theory study on favipiravir drug interaction with BN-doped C60 heterofullerene
(Elsevier B.V., 2022)
We have performed to study the possibility of a stable interaction between favipiravir drug molecule and BN-doped C60 (CBN) heterofullerene. The structural, electronic, reactivity and optical properties for the mentioned ...
Rapidly predicting Kohn–Sham total energy using data-centric AI
(Nature Research, 2022)
Predicting material properties by solving the Kohn-Sham (KS) equation, which is the basis of modern computational approaches to electronic structures, has provided significant improvements in materials sciences. Despite ...
Finite Element Analyses of a TLA-type Synchronus Reluctance Machine
(Institute of Electrical and Electronics Engineers Inc., 2022)
Abstract— Generating energy efficient and eco-friendly electrical machines has been recently focused by researchers
due to rapid decline in energy sources and increase in greenhouse gas effect. Since Inductance Machines ...