Crystallographic Insights into the Structural Heterogeneities of 2D Ruddlesden‐Popper Perovskite Films
Sign Up to like & getrecommendations! Published in 2025 at "Advanced Materials Interfaces"
DOI: 10.1002/admi.202401012
Abstract: 2D Ruddlesden‐Popper phase perovskites (RPPs) offer significant potential for next‐generation photovoltaics owing to their excellent intrinsic stability. Fully understanding the crystalline configuration of 2D perovskite films is essential for further enhancing the power‐conversion‐efficiency (PCE) of… read more here.
Keywords: perovskite films; crystallographic insights; insights structural; ruddlesden popper ... See more keywords
DFT Insights Into the Structural, Stability, Elastic, and Optoelectronic Characteristics of Na2LiZF6 (Z = Ir and Rh) Double Perovskites for Sustainable Energy
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.70097
Abstract: Halide perovskites have gained significant attention due to their tunable bandgaps and environmentally friendly properties, making them strong candidates for advanced optoelectronic applications. In this study, we employed the FP‐LAPW method to explore the structural,… read more here.
Keywords: stability elastic; insights structural; elastic optoelectronic; stability ... See more keywords
Insights into the structural and thermodynamic properties of fullerols [C60(OH)n, n = 12, 14, 16, 18, 20, 22, 24] in aqueous media
Sign Up to like & getrecommendations! Published in 2020 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2020.112805
Abstract: Abstract In recent years, fullerenes and their amphiphilic derivatives fullerols [C60(OH)n] have received considerable attention of researchers worldwide because of their unique structural and electronic properties that enables numerous industrial and medicinal applications. Because of… read more here.
Keywords: thermodynamic properties; hydroxyl; hydroxyl groups; fullerols c60 ... See more keywords
Insights into the structural requirements of PKCζ inhibitors as potential anti-arthritis agents based on 3D-QSAR, homology modeling and docking approach
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2021.131148
Abstract: Abstract Protein Kinase C ζ (PKCζ) has emerged as a promising novel drug target for the treatment of arthritis. A series of isoquinoline PKCζ inhibitors were analyzed through CoMFA, CoMSIA, homology modeling, and molecular docking… read more here.
Keywords: structural requirements; homology modeling; insights structural; pkc inhibitors ... See more keywords
Insights into the Structural and Dielectric Behavior of Composites Produced from EPDM Waste Processed through a Devulcanization Method and SBR
Sign Up to like & getrecommendations! Published in 2023 at "ACS Omega"
DOI: 10.1021/acsomega.2c08115
Abstract: Ethylene propylene diene monomer (EPDM) is one of the most used polymers in the world. It is an elastomer, which means that the existing cross-linking between the main chains of the polymer created during the… read more here.
Keywords: devulcanization; dielectric behavior; sbr; insights structural ... See more keywords
Insights into Structural Changes of Lignin toward Tailored Properties during Deep Eutectic Solvent Pretreatment
Sign Up to like & getrecommendations! Published in 2020 at "ACS Sustainable Chemistry & Engineering"
DOI: 10.1021/acssuschemeng.0c01361
Abstract: Biomass pretreatment enabling extraction of lignin with desirable properties (especially well-preserved β-O-4 linkages) while ensuring improved cellulose digestibility remains a challenge for susta... read more here.
Keywords: structural changes; toward tailored; lignin toward; changes lignin ... See more keywords
New insights into the structural dynamics of the kinase JNK3
Sign Up to like & getrecommendations! Published in 2018 at "Scientific Reports"
DOI: 10.1038/s41598-018-27867-3
Abstract: In this work, we study the dynamics and the energetics of the all-atom structure of a neuronal-specific serine/threonine kinase c-Jun N-terminal kinase 3 (JNK3) in three states: unphosphorylated, phosphorylated, and ATP-bound phosphorylated. A series of… read more here.
Keywords: dynamics kinase; structural dynamics; jnk3; new insights ... See more keywords
Cs2AgBiBr6-Photocatalytic Trifluoromethylation: Insights in Structural Changes and Applications in Drug Modification
Sign Up to like & getrecommendations! Published in 2025 at "Organic Chemistry Frontiers"
DOI: 10.1039/d4qo02237h
Abstract: The development of new drugs involves complex processes of molecular design, drug screening, and clinical validation, where structural modifications play a crucial role. The trifluoromethyl (CF3) group is significant in... read more here.
Keywords: insights structural; cs2agbibr6 photocatalytic; drug; photocatalytic trifluoromethylation ... See more keywords
Myrosinase: insights on structural, catalytic, regulatory, and environmental interactions
Sign Up to like & getrecommendations! Published in 2019 at "Critical Reviews in Biotechnology"
DOI: 10.1080/07388551.2019.1576024
Abstract: Abstract Glucosinolate–myrosinase is a substrate-enzyme defense mechanism present in Brassica crops. This binary system provides the plant with an efficient system against herbivores and pathogens. For humans, it is well known for its anti-carcinogenic, anti-inflammatory,… read more here.
Keywords: system; glycosyl bond; glucosinolate myrosinase; myrosinase ... See more keywords
Insights into structural features of HDAC1 and its selectivity inhibition elucidated by Molecular dynamic simulation and Molecular Docking
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2018.1441072
Abstract: Histone deacetylases (HDACs) are a family of proteins whose main function is the removal of acetyl groups from lysine residues located on histone and non-histone substrates, which regulates gene transcription and other activities in cells.… read more here.
Keywords: inhibition; features hdac1; structural features; site ... See more keywords
Retracted: Computational Insights into the Structural and Functional Impacts of nsSNPs of Bone Morphogenetic Proteins
Sign Up to like & getrecommendations! Published in 2024 at "BioMed Research International"
DOI: 10.1155/2024/9891352
Abstract: [This retracts the article DOI: 10.1155/2022/4013729.]. read more here.
Keywords: insights structural; impacts nssnps; computational insights; functional impacts ... See more keywords