scholarly journals Fine tuning of crystal architecture by intermolecular interactions: synthon engineering

CrystEngComm ◽  
2014 ◽  
Vol 16 (18) ◽  
pp. 3646-3654 ◽  
Author(s):  
Petra Bombicz ◽  
Tobias Gruber ◽  
Conrad Fischer ◽  
Edwin Weber ◽  
Alajos Kálmán
Keyword(s):  
Intermolecular Interactions ◽  
Molecular Packing ◽  
Fine Tuning ◽  
Secondary Interactions

The term “synthon engineering” is introduced for the directed manipulation of the molecular packing architecture including the system of secondary interactions caused by the respectively fine tuned synthons.

Achieving enhanced ML or RTP performance: alkyl substituent effect on the fine-tuning of molecular packing

2021 ◽  
Author(s):  
Yun Yu ◽  
Yuanyuan Fan ◽  
Can Wang ◽  
Yao Wei ◽  
Qiuyan Liao ◽  
...  
Keyword(s):  
Intermolecular Interactions ◽  
Substituent Effect ◽  
Alkyl Chain ◽  
Alkyl Substituent ◽  
Molecular Packing ◽  
Fine Tuning

By changing the substituted alkyl chain of PIth–C derivatives to well regulate the stacking angles of molecular dimers, and considering the efficient intermolecular interactions, their ML/RTP performance could be well tuned.

How intermolecular interactions influence electronic absorption spectra: insights from the molecular packing of uracil in condensed phases

2019 ◽  
Vol 21 (7) ◽  
pp. 4072-4081 ◽  
Author(s):  
Fangjia Fu ◽  
Kang Liao ◽  
Jing Ma ◽  
Zheng Cheng ◽  
Dong Zheng ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
Intermolecular Interactions ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Molecular Packing ◽  
Condensed Phases

Intermolecular interactions in terms of molecular packing are crucial for the investigation of the absorption spectra of uracil in different environments.

scholarly journals Evolutionary meandering of intermolecular interactions along the drift barrier

2014 ◽  
Vol 112 (1) ◽  
pp. E30-E38 ◽  
Author(s):  
Michael Lynch ◽  
Kyle Hagner
Keyword(s):  
Intermolecular Interactions ◽  
Binding Sites ◽  
Rna Binding ◽  
Fine Tuning ◽  
Evolutionary Divergence ◽  
Sequence Motif ◽  
Cellular Functions ◽  
Mutation Pressure ◽  
Rna Molecules ◽  
The Face

Many cellular functions depend on highly specific intermolecular interactions, for example transcription factors and their DNA binding sites, microRNAs and their RNA binding sites, the interfaces between heterodimeric protein molecules, the stems in RNA molecules, and kinases and their response regulators in signal-transduction systems. Despite the need for complementarity between interacting partners, such pairwise systems seem to be capable of high levels of evolutionary divergence, even when subject to strong selection. Such behavior is a consequence of the diminishing advantages of increasing binding affinity between partners, the multiplicity of evolutionary pathways between selectively equivalent alternatives, and the stochastic nature of evolutionary processes. Because mutation pressure toward reduced affinity conflicts with selective pressure for greater interaction, situations can arise in which the expected distribution of the degree of matching between interacting partners is bimodal, even in the face of constant selection. Although biomolecules with larger numbers of interacting partners are subject to increased levels of evolutionary conservation, their more numerous partners need not converge on a single sequence motif or be increasingly constrained in more complex systems. These results suggest that most phylogenetic differences in the sequences of binding interfaces are not the result of adaptive fine tuning but a simple consequence of random genetic drift.

Side-chain engineering for fine-tuning of molecular packing and nanoscale blend morphology in polymer photodetectors

2017 ◽  
Vol 8 (13) ◽  
pp. 2055-2062 ◽  
Author(s):  
Liuyong Hu ◽  
Wenqiang Qiao ◽  
Xiaokang Zhou ◽  
Jinfeng Han ◽  
Xiaoqin Zhang ◽  
...  
Keyword(s):  
Molecular Packing ◽  
Fine Tuning ◽  
Side Chain ◽  
Side Chains ◽  
Low Bandgap ◽  
Blend Morphology

Enhancing the performance of polymer photodetectors by finely tuning the side chains of low-bandgap polymers.

scholarly journals Crystal structure of 1,1,2,2-tetramethyl-1,2-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)disilane

2015 ◽  
Vol 71 (11) ◽  
pp. o888-o888 ◽  
Author(s):  
Christian Godemann ◽  
Anke Spannenberg ◽  
Torsten Beweries
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Bond Length ◽  
Intermolecular Interactions ◽  
Torsion Angle ◽  
Title Compound ◽  
Molecular Packing ◽  
Steric Strain ◽  
Compound C ◽  
Supramolecular Chains

The molecular structure of the title compound, C22H38Si2, features atransarrangement of the cyclopentadienyl rings to avoid steric strain [C—Si—Si—C torsion angle = −179.0 (5)°]. The Si—Si bond length is 2.3444 (4) Å. The most notable intermolecular interactions in the molecular packing are C—H...π contacts that lead to the formation of wave-like supramolecular chains along thebaxis.

Sign in / Sign up

Export Citation Format

Share Document