Multiple CH⋯O interactions involving glycol chains as driving force for the self-assembly of amphiphilic Pd(ii) complexes

2014 ◽  
Vol 50 (87) ◽  
pp. 13366-13369 ◽  
Author(s):  
Christina Rest ◽  
Anja Martin ◽  
Vladimir Stepanenko ◽  
Naveen Kumar Allampally ◽  
David Schmidt ◽  
...  
Keyword(s):  
Self Assembly ◽  
Driving Force ◽  
The Self ◽  
Polar Media

Cooperative inter- and intrastrand CH⋯O interactions between tryethylene glycol chains are the driving force for the self-assembly of amphiphilic Pd(ii) complexes in polar media.

Effects of the position and number of bromine substituents on the concentration-mediated 2D self-assembly of phenanthrene derivatives

2016 ◽  
Vol 18 (10) ◽  
pp. 7208-7215 ◽  
Author(s):  
Xingyu Hu ◽  
Bao Zha ◽  
Yican Wu ◽  
Xinrui Miao ◽  
Wenli Deng
Keyword(s):  
Self Assembly ◽  
Driving Force ◽  
Halogen Bonding ◽  
The Self

Br⋯Br halogen bonding exists in the self-assembly of 2,7-DBHP, whereas the driving force for the assembly of 3,6-DBHP is Br⋯Br vdWs type interactions.

THE ROLE OF COMPETITION EFFECT IN THE SELF-ASSEMBLY STRUCTURE OF 3,5-DIPHENYLBENZOIC ACID AND 2,2′:6′,2″-TERPYRIDINE-4′-CARBOXYLIC ACID ON Ag(110)

2017 ◽  
Vol 24 (Supp02) ◽  
pp. 1850025
Author(s):  
YUFEN HU ◽  
WEI LI ◽  
YAN LU ◽  
ZHONGPING WANG ◽  
XINLI LENG ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Self Assembly ◽  
Driving Force ◽  
Density Functional ◽  
Coordination Bond ◽  
The Self ◽  
Scanning Tunneling ◽  
Dipole Interactions ◽  
Metal Organic

The self-assembly structures of 2,2[Formula: see text]:6[Formula: see text],2[Formula: see text]-terpyridine-4[Formula: see text]-carboxylic acid (C[Formula: see text]H[Formula: see text]N3O2; [Formula: see text]) molecules and 3,5-diphenylbenzoic acid (C[Formula: see text]H[Formula: see text]O2; [Formula: see text]) molecules on Ag(110) surface have been investigated by scanning tunneling microscopy (STM) and Density Functional Theory (DFT) calculation. The [Formula: see text] molecules form two different well-organized structures due to the [Formula: see text]–[Formula: see text] stacking and dipole–dipole interactions. When three C atoms of [Formula: see text] molecules are replaced by three N atoms to form [Formula: see text] molecules, the main driving force to form ordered assembly structures of [Formula: see text] molecule is changed to metal–organic coordination bond and hydrogen bond. The dramatic changes of main driving force between [Formula: see text]/Ag(110) and [Formula: see text]/Ag(110) system demonstrate that the N atoms are apt to form metal–organic coordination bond and hydrogen bond but dipole–dipole interactions and [Formula: see text]–[Formula: see text] stacking are relative to C atoms. These findings further reveal that the optimization design of organic molecules could vary the main driving force and then lead to the change of the molecular self-assembly structures.

scholarly journals Effects of co-ordination number on the nucleation behaviour in many-component self-assembly

2016 ◽  
Vol 186 ◽  
pp. 215-228 ◽  
Author(s):  
Aleks Reinhardt ◽  
Chon Pan Ho ◽  
Daan Frenkel
Keyword(s):  
Free Energy ◽  
Self Assembly ◽  
Driving Force ◽  
Building Blocks ◽  
The Self ◽  
Energy Barriers ◽  
Distinct Component ◽  
Lattice Monte Carlo ◽  
High Supersaturation ◽  
Grand Canonical

We report canonical and grand-canonical lattice Monte Carlo simulations of the self-assembly of addressable structures comprising hundreds of distinct component types. The nucleation behaviour, in the form of free-energy barriers to nucleation, changes significantly as the co-ordination number of the building blocks is changed from 4 to 8 to 12. Unlike tetrahedral structures – which roughly correspond to DNA bricks that have been studied in experiments – the shapes of the free-energy barriers of higher co-ordination structures depend strongly on the supersaturation, and such structures require a very significant driving force for structure growth before nucleation becomes thermally accessible. Although growth at high supersaturation results in more defects during self-assembly, we show that high co-ordination number structures can still be assembled successfully in computer simulations and that they exhibit self-assembly behaviour analogous to DNA bricks. In particular, the self-assembly remains modular, enabling in principle a wide variety of nanostructures to be assembled, with a greater spatial resolution than is possible in low co-ordination structures.

The Hydrophobic Effect as a Driving Force in the Self-Assembly of a [2×2] Copper(I) Grid

2004 ◽  
Vol 116 (48) ◽  
pp. 6892-6895 ◽  
Author(s):  
Jonathan R. Nitschke ◽  
Marie Hutin ◽  
Gérald Bernardinelli
Keyword(s):  
Self Assembly ◽  
Driving Force ◽  
Hydrophobic Effect ◽  
The Self

The Hydrophobic Effect as a Driving Force in the Self-Assembly of a [2×2] Copper(I) Grid

2004 ◽  
Vol 43 (48) ◽  
pp. 6724-6727 ◽  
Author(s):  
Jonathan R. Nitschke ◽  
Marie Hutin ◽  
Gérald Bernardinelli
Keyword(s):  
Self Assembly ◽  
Driving Force ◽  
Hydrophobic Effect ◽  
The Self

scholarly journals Insights on the supramolecular polymorphism of poly(γ-benzyl-L-glutamate) rod-like peptides from atomistic molecular dynamics simulations

2021 ◽  
Author(s):  
Giovanna Dattola ◽  
Mirco Zerbetto
Keyword(s):  
Molecular Dynamics ◽  
Self Assembly ◽  
Driving Force ◽  
Order Parameter ◽  
The Self ◽  
C Terminus ◽  
N Terminus ◽  
Phenyl Rings ◽  
Dynamics Simulations ◽  
Single Peptide

AbstractThis work reports an all-atom molecular dynamics study of the first stages of aggregation of poly($$\gamma$$ γ -benzyl-L-glutamate)—PBLG—polymers end-capped with C60. PBLG self-assembles in water and shows polymorphism when specific changes in the molecular structure are made. Three variants of PBLG are compared, which differ for the location of the C60 moiety: N-terminus, C-terminus, or both. The aim of the computational experiments was to rationalize the key molecular properties that are relevant to the supramolecular polymorphism. Single-peptide simulations in tetrahydrofuran and in water allowed to quantify the strength of the self-assembly driving force in terms of the overall order parameter of the phenyl rings that are “coating” the peptides. Two-peptide simulations for the singly capped peptides showed that two kinds of aggregates can be formed: one “slow” thermodynamically more stable, and one “fast” kinetically favoured. These first-stage aggregates are interpreted as the seeds leading to different self-assemblies. Graphical abstract

scholarly journals The templation effect as a driving force for the self-assembly of hydrogen-bonded peptidic capsules in competitive media

2017 ◽  
Vol 15 (40) ◽  
pp. 8513-8517 ◽  
Author(s):  
M. Grajda ◽  
M. J. Lewińska ◽  
A. Szumna
Keyword(s):  
Self Assembly ◽  
Driving Force ◽  
The Self ◽  
Polar Solvents ◽  
Hydrogen Bonded

Complexation of a hydrophobic guest induces the self-assembly of peptide based cavitands to form hydrogen-bonded ordered capsules in polar solvents.

The Nature of Rapidly Extracted Phycocyanin from the Blue-Green Alga Plectonema Boryanum

1971 ◽  
Vol 29 ◽  
pp. 366-367
Author(s):  
M. Kessel ◽  
R. MacColl
Keyword(s):  
Self Assembly ◽  
Analytical Ultracentrifugation ◽  
Uranyl Acetate ◽  
The Self ◽  
Major Protein ◽  
Subunit Structure ◽  
Blue Green Alga ◽  
Thin Sections ◽  
Blue Green Algae ◽  
Cacodylate Buffer

The major protein of the blue-green algae is the biliprotein, C-phycocyanin (Amax = 620 nm), which is presumed to exist in the cell in the form of distinct aggregates called phycobilisomes. The self-assembly of C-phycocyanin from monomer to hexamer has been extensively studied, but the proposed next step in the assembly of a phycobilisome, the formation of 19s subunits, is completely unknown. We have used electron microscopy and analytical ultracentrifugation in combination with a method for rapid and gentle extraction of phycocyanin to study its subunit structure and assembly.To establish the existence of phycobilisomes, cells of P. boryanum in the log phase of growth, growing at a light intensity of 200 foot candles, were fixed in 2% glutaraldehyde in 0.1M cacodylate buffer, pH 7.0, for 3 hours at 4°C. The cells were post-fixed in 1% OsO4 in the same buffer overnight. Material was stained for 1 hour in uranyl acetate (1%), dehydrated and embedded in araldite and examined in thin sections.

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