Aminobenzylnaphthols are a class of compounds containing a large aromatic molecular surface which makes them suitable candidates to study the role of C-H...π interactions. We have investigated the effect of methyl or methoxy substituents on the assembling of aromatic units by preparing and determining the crystal structures of (S,S)-1-{(4-methylphenyl)[(1-phenylethyl)amino]methyl}naphthalen-2-ol, CHNO, and (S,S)-1-{(4-methoxyphenyl)[(1-phenylethyl)amino]methyl}naphthalen-2-ol, CHNO. The methyl group influenced the overall crystal packing even if the H atoms of the methyl group did not participate directly either in hydrogen bonding or C-H...π interactions. The introduction of the methoxy moiety caused the formation of new hydrogen bonds, in which the O atom of the methoxy group was directly involved. Moreover, the methoxy group promoted the formation of an interesting C-H...π interaction which altered the orientation of an aromatic unit.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1107/S2053229619001050 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
DD-PRiSM: a deep learning framework for decomposition and prediction of synergistic drug combinations.
Brief Bioinform
November 2024
School of Electrical Engineering and Computer Science, Gwangju Institute of Science and Technology (GIST), Buk-gu, Gwangju 61005, Republic of Korea.
Combination therapies have emerged as a promising approach for treating complex diseases, particularly cancer. However, predicting the efficacy and safety profiles of these therapies remains a significant challenge, primarily because of the complex interactions among drugs and their wide-ranging effects. To address this issue, we introduce DD-PRiSM (Decomposition of Drug-Pair Response into Synergy and Monotherapy effect), a deep-learning pipeline that predicts the effects of combination therapy.
View Article and Find Full Text PDFCellMsg: graph convolutional networks for ligand-receptor-mediated cell-cell communication analysis.
Brief Bioinform
November 2024
College of Computer Science and Electronic Engineering, Hunan University, Changsha 410082, China.
The role of cell-cell communications (CCCs) is increasingly recognized as being important to differentiation, invasion, metastasis, and drug resistance in tumoral tissues. Developing CCC inference methods using traditional experimental methods are time-consuming, labor-intensive, cannot handle large amounts of data. To facilitate inference of CCCs, we proposed a computational framework, called CellMsg, which involves two primary steps: identifying ligand-receptor interactions (LRIs) and measuring the strength of LRIs-mediated CCCs.
View Article and Find Full Text PDFIntegrating scRNA-seq and scATAC-seq with inter-type attention heterogeneous graph neural networks.
Brief Bioinform
November 2024
Department of Electronic Engineering, Tsinghua University, 100084 Beijing, China.
Single-cell multi-omics techniques, which enable the simultaneous measurement of multiple modalities such as RNA gene expression and Assay for Transposase-Accessible Chromatin (ATAC) within individual cells, have become a powerful tool for deciphering the intricate complexity of cellular systems. Most current methods rely on motif databases to establish cross-modality relationships between genes from RNA-seq data and peaks from ATAC-seq data. However, these approaches are constrained by incomplete database coverage, particularly for novel or poorly characterized relationships.
View Article and Find Full Text PDFPatients' Experienced Usability and Satisfaction With Digital Health Solutions in a Home Setting: Instrument Validation Study.
JMIR Med Inform
January 2025
Department of Medical Informatics, Amsterdam University Medical Center, University of Amsterdam, Amsterdam, the Netherlands.
Background: The field of digital health solutions (DHS) has grown tremendously over the past years. DHS include tools for self-management, which support individuals to take charge of their own health. The usability of DHS, as experienced by patients, is pivotal to adoption.
View Article and Find Full Text PDFRole of stomatal and leaf anatomical features in defining plant performance under elevated carbon dioxide and ozone, in the changing climate scenario.
Environ Sci Pollut Res Int
January 2025
Laboratory of Ecotoxicology, Department of Botany, Institute of Science, Banaras Hindu University, Varanasi, 221005, India.
This research investigates the interactive effects of elevated ozone (eO) and carbon dioxide (eCO) on stomatal morphology and leaf anatomical characteristics in two wheat cultivars with varying O sensitivities. Elevated O increased stomatal density and conductance, causing oxidative stress and cellular damage, particularly in the O-sensitive cultivar PBW-550 (PW), compared to HUW-55 (HW). Conversely, eCO reduced stomatal density and pore size, mitigating O-induced damage by limiting O influx.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!