Investigation of the effects of porosity and volume fraction on the atomic behavior of cancer cells and microvascular cells of 3DN5 and 5OTF macromolecular structures …

H Wang, A Alizadeh, AM Abed, A Piranfar… - Computers in Biology …, 2023 - Elsevier
Background and objective The molecular dynamics (MD) simulation is a powerful tool for
researching how cancer patients are treated. The efficiency of many factors may be …

Tailoring Thiazole Decorated Polymer with Benzoselenadiazole for Enhanced SO2 Sensing

M Sharma, C Patel, A Samal, S Sriram… - ACS Applied Polymer …, 2024 - ACS Publications
Sulfur dioxide (SO2) is a hazardous pollutant that significantly poses a risk to human health
and the environment. However, the development of SO2 sensors that work at room …

Zn (II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity

JB Araškov, A Višnjevac, J Popović, V Blagojević… - …, 2022 - pubs.rsc.org
Earth-abundant, cheap and non-toxic zinc-based coordination compounds are drawing
research attention as promising candidates for various applications, such as …

Structural insights and photophysical properties of mononuclear and pentanuclear Zn (II) acetate complexes with pyridyl-based thiazolyl-hydrazones

JB Araškov, AT Garcia-Sosa, A Višnjevac, SF Sousa… - Polyhedron, 2024 - Elsevier
The solid state structures of zinc complexes with HLS 1 and HLS 3 ligands are reported,
where HLS 1 is 2-(2-(pyridin-2-ylmethylene) hydrazinyl)-4-fenil-1, 3-thiazole and HLS 3 is 2 …

Investigating the effect of SiO2 nanoparticle addition and thickness of face-coverings on COVID-19 protection using molecular dynamics approach

A Hadian, S Yaghoubi, A Karimipour… - Engineering Analysis with …, 2023 - Elsevier
This study investigates the penetration of coronavirus (COVID-19) and oxygen (O 2) in
different commercial face coverings like surgical and N-95 masks using a molecular …

Phenolate-thiazole based reversible “turn-on” chemosensor for the selective detection of carbonate anion: X-ray crystallography, DFT/TDFT, and cell study

C Pramanik, A Jana, P Brandao, A Aher, P Bera… - … Acta Part A: Molecular …, 2024 - Elsevier
A new phenolate-thiazole derivative (L) has been synthesized and structurally
characterized. The chemo-sensing activity of L is detected by the naked eye for the aqueous …

Discovery of novel dimeric pyridinium bromide analogues inhibits cancer cell growth by activating caspases and downregulating Bcl-2 Protein

S Govindaraj, K Ganesan, M Dharmasivam… - ACS …, 2023 - ACS Publications
Flexible dimeric substituted pyridinium bromides with primary and tertiary amines are
prepared by conventional and solvent-free methods. The formation of compounds 2 and 4 is …

Enhancer of zeste homolog 2 exerts functions in gastric cancer development via modulating microRNA‐222‐3p methylation and WEE1 expression

Y Feng, C Wang, T Shi, W Liu, H Liu… - Chemical Biology & …, 2022 - Wiley Online Library
Enhancer of zeste homolog 2 (EZH2) has been studied in gastric cancer (GC), while the role
of EZH2 in GC via binding to microRNA (miR)‐222‐3p remains obscure. This research aims …