scholarly journals Manifold Dynamic Non-Covalent Interactions for Steering Molecular Assembly and Cyclization

2021 ◽  
Author(s):  
Shaotang Song ◽  
Jie Su ◽  
Lulu Wang ◽  
Zhen Xu ◽  
Chia-Hsiu Hsu ◽  
...  
Keyword(s):  
Real Space ◽  
Molecular Assembly ◽  
Biological Processes ◽  
Chemical Transformations ◽  
Molecular Assemblies ◽  
Non Covalent Interactions ◽  
Covalent Interactions ◽  
Space Characterization

Deciphering rich non-covalent interactions that govern many chemical and biological processes is crucial for the design of drugs and controlling molecular assemblies and their chemical transformations. However, real-space characterization of...

scholarly journals Manifold Dynamic Non-Covalent Interactions for Steering Molecular Assembly and Cyclization

2021 ◽  
Author(s):  
Shaotang Song ◽  
Lulu Wang ◽  
Jie Su ◽  
Zhen Xu ◽  
Chia-Hsiu Hsu ◽  
...  
Keyword(s):  
Weak Interactions ◽  
Search Algorithm ◽  
Lone Pair ◽  
Molecular Assembly ◽  
Coupling Reactions ◽  
Chemical Transformations ◽  
Quantum Chemistry Calculations ◽  
Non Covalent Interactions ◽  
Molecular Architectures ◽  
Covalent Interactions

Abstract Deciphering rich non-covalent interactions that govern many chemical and biological processes is crucial for the design of drugs and controlling molecular assemblies and their chemical transformations. However, real-space characterization of these weak interactions in complex molecular architectures at single bond level has been a longstanding challenge. Here, we employed bond-resolved scanning probe microscopy combined with an exhaustive structural search algorithm and quantum chemistry calculations to elucidate multiple non-covalent interactions that control the cohesive molecular clustering of a well-design precursor and their chemical reactions. The presence of two flexible bromo-triphenyl moieties in precursor leads to the assembly of distinct non-planar dimer and trimer clusters by manifold non-covalent interactions, including hydrogen bonding, halogen bonding, C − H···π and lone pair···π interactions. The dynamic nature of weak interactions allows for transforming dimers into energetically more favourable trimers as molecular density increases. The formation of trimers also facilitates thermally-triggered intermolecular Ullman coupling reactions, while the disassembly of dimers favours intramolecular cyclization, as evidenced by bond-resolved imaging of metalorganic intermediates and final products. The richness of manifold non-covalent interactions offers unprecedented opportunities for controlling the assembly of complex molecular architectures and steering on-surface synthesis of quantum nanostructures.

Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks

CrystEngComm ◽  
2019 ◽  
Vol 21 (20) ◽  
pp. 3151-3157 ◽  
Author(s):  
Sarah N. Johnson ◽  
Thomas L. Ellington ◽  
Duong T. Ngo ◽  
Jorge L. Nevarez ◽  
Nicholas Sparks ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Density Functional ◽  
Building Blocks ◽  
Molecular Assembly ◽  
Functional Theory ◽  
X Ray ◽  
X Ray Crystallography ◽  
Non Covalent Interactions ◽  
Density Functional Theory Computations ◽  
Covalent Interactions

One co-crystal structure characterized to identify and quantify various non-covalent interactions with spectroscopy, X-ray crystallography and density functional theory computations.

scholarly journals Bridging the gap: 3D real-space characterization of colloidal assemblies via FIB-SEM tomography

Nanoscale ◽  
2019 ◽  
Vol 11 (12) ◽  
pp. 5304-5316 ◽  
Author(s):  
Jessi E. S. van der Hoeven ◽  
Ernest B. van der Wee ◽  
D. A. Matthijs de Winter ◽  
Michiel Hermes ◽  
Yang Liu ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Scanning Electron Microscopy ◽  
Focused Ion Beam ◽  
Ion Beam ◽  
Real Space ◽  
Particle Level ◽  
Particle Assemblies ◽  
Space Characterization ◽  
Scanning Electron

Focused ion beam-scanning electron microscopy tomography for quantitative real space studies of particle assemblies on a single particle level.

scholarly journals Characterization of N⋯O non-covalent interactions involving σ-holes: “electrostatics” or “dispersion”

2016 ◽  
Vol 18 (43) ◽  
pp. 29946-29954 ◽  
Author(s):  
Rahul Shukla ◽  
Deepak Chopra
Keyword(s):  
Non Covalent Interactions ◽  
Pnicogen Bonds ◽  
Covalent Interactions ◽  
Oxygen Atoms

Exploring the possibility of formation of pnicogen bonds or chalcogen bonds by utilizing the σ-holes present on nitrogen and oxygen atoms in per-halo substituted complexes.

scholarly journals Real-space characterization of hydroxyphenyl porphyrin derivatives designed for single-molecule devices

RSC Advances ◽  
2015 ◽  
Vol 5 (96) ◽  
pp. 79152-79156 ◽  
Author(s):  
Akitoshi Shiotari ◽  
Yusuke Ozaki ◽  
Shoichi Naruse ◽  
Hiroshi Okuyama ◽  
Shinichiro Hatta ◽  
...  
Keyword(s):  
Transport Properties ◽  
Single Molecule ◽  
Electronic States ◽  
Real Space ◽  
Porphyrin Derivatives ◽  
Molecular Rectifier ◽  
Space Characterization

Using STM, we image the hydroxyphenyl porphyrin unit and its array which are synthesized as the basis of a molecular rectifier, and characterize the electronic states associated with the transport properties through the molecule.

scholarly journals The isolation and characterization of the high-molecular-weight glycoprotein from pig colonic mucus

1978 ◽  
Vol 173 (2) ◽  
pp. 569-578 ◽  
Author(s):  
T Marshall ◽  
A Allen
Keyword(s):  
Molecular Weight ◽  
High Molecular Weight ◽  
Quaternary Structure ◽  
Water Soluble ◽  
Isolation And Characterization ◽  
Nuclease Digestion ◽  
Non Covalent Interactions ◽  
Covalent Interactions ◽  
Equilibrium Centrifugation

1. A high-molecular-weight glycoprotein constitutes over 80% by weight of the total glycoprotein from water-soluble pig colonic mucus. 2. It was isolated from from nucleic acid and non-covalently bound protein by nuclease digestion followed by equilibrium centrifugation in a CsCl gradient. 3. The glycoprotein has the following composition by weight: fucose 10.4%; glucosamine 23.9%; galactosamine 8.3%; sialic acid 9.9%; galactose 20.8%; sulphate 3.0%; protein 13.3%; moisture about 10%. 4. The native glycoprotein has the high mol.wt. of 15×10(6). 5. Reduction of the native glycoprotein with 2-mercaptoethanol results in a glycoprotein of mol.wt. 6×10(6). 6. Pronase digestion removes 29% of the protein (3% of the glycoprotein) but none of the carbohydrate. 7. The molecular weight of the Pronase-digested glycoprotein is 1.5×10(6), which is halved to 0.76×10(6) on reduction with 2-mercaptoethanol. 8. The contribution of non-covalent interactions, disulphide bridges and the non-glycosylated peptide core to the quaternary structure of the glycoprotein are discussed and compared with the known structure of pig gastric glycoportein.

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