[HTML][HTML] Efficient tuning of small acceptor chromophores with A1-π-A2-π-A1 configuration for high efficacy of organic solar cells via end group manipulation
Now a days, non-fullerene organic compounds are considered with keen interest for the
greener energy and potential photovoltaic devices. Herein, novel acceptor chromophores …
greener energy and potential photovoltaic devices. Herein, novel acceptor chromophores …
Reducing intestinal digestion and absorption of fat using a nature-derived biopolymer: Interference of triglyceride hydrolysis by nanocellulose
GM DeLoid, IS Sohal, LR Lorente, RM Molina… - ACS …, 2018 - ACS Publications
Engineered nanomaterials are increasingly added to foods to improve quality, safety, or
nutrition. Here we report the ability of ingested nanocellulose (NC) materials to reduce …
nutrition. Here we report the ability of ingested nanocellulose (NC) materials to reduce …
Effect of starch-catechin interaction on regulation of starch digestibility during hot-extrusion 3D printing: Structural analysis and simulation study
Recent developments of hot-extrusion 3D printing (HE-3DP) have made it possible to
manipulate starch digestibility. This work investigated the regulating mechanism of starch …
manipulate starch digestibility. This work investigated the regulating mechanism of starch …
Investigation of membrane fouling phenomenon using molecular dynamics simulations: A review
Membrane fouling remains a tremendous obstacle in the implementation of membrane
technology, which has motivated the use of a wide range of experimental techniques to …
technology, which has motivated the use of a wide range of experimental techniques to …
[PDF][PDF] Computing stoichiometric molecular composition from crystal structures
Crystallographic investigations deliver high-accuracy information about positions of atoms in
crystal unit cells. For chemists, however, the structure of a molecule is most often of interest …
crystal unit cells. For chemists, however, the structure of a molecule is most often of interest …
Mechanistic insights into catalytic reduction of N2O by CO over Cu-embedded graphene: a density functional theory perspective
A Akça, O Karaman, C Karaman - ECS Journal of Solid State …, 2021 - iopscience.iop.org
In this study, the mechanism of N 2 O reduction by CO over Cu-embedded graphene (CuG)
surface was examined through Density Functional Theory (DFT) with Grimme-D2 dispersion …
surface was examined through Density Functional Theory (DFT) with Grimme-D2 dispersion …
Theoretical and conceptual framework to design efficient dye-sensitized solar cells (DSSCs): molecular engineering by DFT method
Herein, eight new donor-π-acceptor organic dyes namely M1–M8 have been theoretically
investigated for their potential in optoelectronic properties. The M1–M8 were designed …
investigated for their potential in optoelectronic properties. The M1–M8 were designed …
pH-Sensitive adsorption of gastrointestinal drugs (famotidine and pantoprazole) as pharmaceutical pollutants by using the Au-doped@ ZIF-90-glycerol adsorbent …
Pharmaceutical pollutants, such as gastrointestinal drugs, pose a significant environmental
concern due to their widespread use and potential adverse effects on ecosystems. Insights …
concern due to their widespread use and potential adverse effects on ecosystems. Insights …
Deep eutectic solvents or eutectic mixtures? Characterization of tetrabutylammonium bromide and nonanoic acid mixtures
A Shishov, P Makoś-Chełstowska… - The Journal of …, 2022 - ACS Publications
Deep eutectic solvents have quickly attracted the attention of researchers because they
better meet the requirements of green chemistry and thus have the potential to replace …
better meet the requirements of green chemistry and thus have the potential to replace …
Combined computational approaches for developing new anti-Alzheimer drug candidates: 3D-QSAR, molecular docking and molecular dynamics studies of …
Butyrylcholinesterase is an acetylcholine-degrading enzyme involved in the memorization
process, which is becoming an interesting target for the symptomatic treatment of …
process, which is becoming an interesting target for the symptomatic treatment of …