Cargando…

The Relevance of Experimental Charge Density Analysis in Unraveling Noncovalent Interactions in Molecular Crystals

The work carried out by our research group over the last couple of decades in the context of quantitative crystal engineering involves the analysis of intermolecular interactions such as carbon (tetrel) bonding, pnicogen bonding, chalcogen bonding, and halogen bonding using experimental charge densi...

Descripción completa

Detalles Bibliográficos
Autores principales:	Thomas, Sajesh P., Dikundwar, Amol G., Sarkar, Sounak, Pavan, Mysore S., Pal, Rumpa, Hathwar, Venkatesha R., Row, Tayur N. Guru
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Review
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9229234/ https://www.ncbi.nlm.nih.gov/pubmed/35744821 http://dx.doi.org/10.3390/molecules27123690

Ejemplares similares

Crystal landscape in the orcinol:4,4′-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters
por: Dubey, Ritesh, et al.
Publicado: (2013)

A heuristic approach to evaluate peri interactions versus intermolecular interactions in an overcrowded naphthalene
por: Sarkar, Sounak, et al.
Publicado: (2017)

Do carboximide–carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics
por: Kaur, Ramanpreet, et al.
Publicado: (2015)

Probing the Critical Role of Sn Content in SnSb@C Nanofiber Anode on Li Storage Mechanism and Battery Performance
por: Das, Suman, et al.
Publicado: (2017)

Noncovalent Functionalization and Charge Transfer in Antimonene
por: Abellán, Gonzalo, et al.
Publicado: (2017)

π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis
por: Pal, Rumpa, et al.
Publicado: (2022)

Noncovalent Interactions and Crystal Structure Prediction of Energetic Materials
por: Liu, Yan, et al.
Publicado: (2022)

Crystal Structure and Noncovalent Interactions of Heterocyclic Energetic Molecules
por: Liu, Yan, et al.
Publicado: (2022)

Anthrapyrazolone analogues intercept inflammatory JNK signals to moderate endotoxin induced septic shock
por: Prasad, Karothu Durga, et al.
Publicado: (2014)

2-{[{2-Hydroxy-3-[2-methyl-5-(propan-2-yl)phenoxy]propyl}(pyridin-2-ylmethyl)amino]methyl}phenol
por: Sancheti, Rakesh S., et al.
Publicado: (2011)

Ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
por: Nayak, Susanta K., et al.
Publicado: (2011)

Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone
por: Zacharchenko, Thomas, et al.
Publicado: (2021)

Evaluation of Electron Density Shifts in Noncovalent Interactions
por: Iribarren, Iñigo, et al.
Publicado: (2021)

Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds
por: Alhameedi, Khidhir, et al.
Publicado: (2018)

Noncovalent Dimerization of Ubiquitin**
por: Liu, Zhu, et al.
Publicado: (2012)

Quantification of Noncovalent Interactions in Azide–Pnictogen, –Chalcogen, and –Halogen Contacts
por: Bursch, Markus, et al.
Publicado: (2021)

Cftr: Covalent and Noncovalent Modification Suggests a Role for Fixed Charges in Anion Conduction
por: Smith, Stephen S., et al.
Publicado: (2001)

Crystal structure of 2,4,6-tris(cyclohexyloxy)-1,3,5-triazine
por: Sankolli, Ravish, et al.
Publicado: (2015)

Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins
por: Sasano, Yoshifumi, et al.
Publicado: (2021)

Noncovalent Functionalization of Graphene in Suspension
por: Yang, Wenzhi, et al.
Publicado: (2013)

Noncovalent Interactions in the Catechol Dimer
por: Barone, Vincenzo, et al.
Publicado: (2017)

KRAS inhibitors: going noncovalent
por: Drosten, Matthias, et al.
Publicado: (2022)

(Z)-2-(2-Isopropyl-5-methylphenoxy)-N′-(2-oxoindolin-3-ylidene)acetohydrazide
por: Zade, Chetan M., et al.
Publicado: (2010)

DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure
por: Meyer, Benjamin, et al.
Publicado: (2019)

Anisotropic Charge Distribution and Anisotropic van der Waals Radius Leading to Intriguing Anisotropic Noncovalent Interactions
por: Kim, Hahn, et al.
Publicado: (2014)

Virus-induced gene silencing is a versatile tool for unraveling the functional relevance of multiple abiotic-stress-responsive genes in crop plants
por: Ramegowda, Venkategowda, et al.
Publicado: (2014)

Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap
por: de Silva, Piotr, et al.
Publicado: (2014)

Intermolecular noncovalent interactions with carbon in solution
por: Dutta, Juhi, et al.
Publicado: (2022)

Charge density analysis for crystal engineering
por: Krawczuk, Anna, et al.
Publicado: (2014)

Noncovalent Interaction of Tilmicosin with Bovine Serum Albumin
por: Lemli, Beáta, et al.
Publicado: (2018)

Biomaterials based on noncovalent interactions of small molecules
por: Guo, Jiaqi, et al.
Publicado: (2020)

Perfluorinated Probes for Noncovalent Protein Recognition and Isolation
por: Bassanini, Ivan, et al.
Publicado: (2020)

Noncovalent Liquid Phase Functionalization of 2H-WS(2) with PDI: An Energy Conversion Platform with Long-Lived Charge Separation
por: Scharl, Tobias, et al.
Publicado: (2022)

Dissecting Noncovalent Interactions in Carboxyl‐Functionalized Ionic Liquids Exhibiting Double and Single Hydrogens Bonds Between Ions of Like Charge
por: Hunger, Lasse, et al.
Publicado: (2022)

Ethyl 6-chloro-2-[(2-chloro-7,8-dimethylquinolin-3-yl)methoxy]-4-phenylquinoline-3-carboxylate
por: Khan, F. Nawaz, et al.
Publicado: (2010)

1-[(2-Chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2(1H)-one
por: Khan, F. Nawaz, et al.
Publicado: (2010)

2-Chloro-8-methyl-3-[(pyrimidin-4-yloxy)methyl]quinoline
por: Khan, F. Nawaz, et al.
Publicado: (2010)

Polysaccharide-based Noncovalent Assembly for Targeted Delivery of Taxol
por: Yang, Yang, et al.
Publicado: (2016)

Nanodisc-to-Nanofiber Transition of Noncovalent Peptide–Phospholipid Assemblies
por: Ikeda, Keisuke, et al.
Publicado: (2017)

Noncovalent Supramolecular Diblock Copolymers: Synthesis and Microphase Separation
por: Bhaumik, Saibal, et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_vb7k1ufk3iprj1hm2kl5uqsjhb