Self-assembly of 2-hydroxy-tri-tert-butylphthalocyaninato zinc into J-type dimer: UV-vis, DFT and spectropotentiometric study

2014 ◽  
Vol 18 (01n02) ◽  
pp. 155-161 ◽  
Author(s):  
Alexander Yu. Tolbin ◽  
Victor E. Pushkarev ◽  
Vladimir B. Sheinin ◽  
Sergey A. Shabunin ◽  
Larisa G. Tomilova
Keyword(s):  
Dft Calculations ◽  
Self Assembly ◽  
Zinc Acetate ◽  
Intramolecular Interactions ◽  
Dimeric Complex ◽  
Tert Butyl ◽  
Vis Spectroscopy ◽  
Selective Formation

The role of the base nature during complexation of 2-hydroxy-9(10),16(17),23(24)-tri-tert-butyl-29H,31H-phthalocyanine ligand (1) with zinc acetate was studied by the UV-vis spectroscopy and DFT calculations. The latter allowed us to explain the selective formation of double-coordinated J-type dimer in the presence of lithium methoxide. Spectropotentiometry was used to study the nucleophilic properties of the dimeric complex in comparison with the corresponding monomer and has demonstrated the strong intramolecular interactions of macrocycles.

Organic NLO material with H-bonded 1D helical self-assembly: synthesis, X-ray crystal structure, DFT calculations, SHG measurements and thermal studies of (5Z,6E)-1,10-phenanthroline-5,6-dione dioxime

CrystEngComm ◽  
2017 ◽  
Vol 19 (35) ◽  
pp. 5251-5258 ◽  
Author(s):  
A. Irudaya Jothi ◽  
V. Alexander
Keyword(s):  
Crystal Structure ◽  
Dft Calculations ◽  
Self Assembly ◽  
Thermal Studies ◽  
The Self ◽  
X Ray ◽  
Shg Efficiency

The role of H-bonding in the self-assembly of (5Z,6E)-1,10-phenanthroline-5,6-dione dioxime into a 1D helix and its SHG efficiency are reported.

Green synthesis of mixed metallic nanoparticles using room temperature self-assembly

2017 ◽  
Vol 13 (2) ◽  
pp. 4671-4677 ◽  
Author(s):  
A. M. Abdelghany ◽  
A.H. Oraby ◽  
Awatif A Hindi ◽  
Doaa M El-Nagar ◽  
Fathia S Alhakami
Keyword(s):  
Self Assembly ◽  
Metallic Nanoparticles ◽  
Room Temperature ◽  
Bimetallic Nanoparticles ◽  
Reduction Process ◽  
Nano Particles ◽  
Nano Structure ◽  
Small Shift ◽  
Molar Ratios ◽  
Vis Spectroscopy

Bimetallic nanoparticles of silver (Ag) and gold (Au) were synthesized at room temperature using Curcumin. Reduction process of silver and gold ions with different molar ratios leads to production of different nanostructures including alloys and core-shells. Produced nanoparticles were characterized simultaneously with FTIR, UV/vis. spectroscopy, transmission electron microscopy (TEM), and Energy-dispersive X-ray (EDAX). UV/vis. optical absorption spectra of as synthesized nanoparticles reveals presence of surface palsmon resonance (SPR) of both silver at (425 nm) and gold at (540 nm) with small shift and broadness of gold band after mixing with resucing and capping agent in natural extract which suggest presence of bimetallic nano structure (Au/Ag). FTIR and EDAX data approve the presence of bimetallic nano structure combined with curcumin extract. TEM micrographs shows that silver and gold can be synthesized separately in the form of nano particles using curcumin extract. Synthesis of gold nano particles in presence of silver effectively enhance and control formation of bi-metallic structure.

Metal-Metal Cooperative Bond Activation by Heterobimetallic Alkyl, Aryl, and Acetylide PtII/CuI Complexes

2020 ◽  
Author(s):  
Shubham Deolka ◽  
Orestes Rivada Wheelaghan ◽  
Sandra Aristizábal ◽  
Robert Fayzullin ◽  
Shrinwantu Pal ◽  
...  
Keyword(s):  
Alkyl Group ◽  
Bond Activation ◽  
Bond Cleavage ◽  
Terminal Alkyne ◽  
Alkyl Aryl ◽  
Metal Metal ◽  
The Stability ◽  
Selective Formation ◽  
Organoplatinum Compounds

We report selective formation of heterobimetallic PtII/CuI complexes that demonstrate how facile bond activation processes can be achieved by altering reactivity of common organoplatinum compounds through their interaction with another metal center. The interaction of the Cu center with Pt center and with a Pt-bound alkyl group increases the stability of PtMe2 towards undesired rollover cyclometalation. The presence of the CuI center also enables facile transmetalation from electron-deficient tetraarylborate [B(ArF)4]- anion and mild C-H bond cleavage of a terminal alkyne, which was not observed in the absence of an electrophilic Cu center. The DFT study indicates that the role of Cu center acts as a binding site for alkyne substrate, while activating its terminal C-H bond.

Directive Effect of Chain Length in Modulating Peptide Nano-assemblies

2020 ◽  
Vol 27 (9) ◽  
pp. 923-929
Author(s):  
Gaurav Pandey ◽  
Prem Prakash Das ◽  
Vibin Ramakrishnan
Keyword(s):  
Electron Microscopy ◽  
Amino Acids ◽  
Light Scattering ◽  
Chain Length ◽  
Self Assembly ◽  
The Self ◽  
Ionic Charge ◽  
Self Assembling ◽  
Biophysical Techniques

Background: RADA-4 (Ac-RADARADARADARADA-NH2) is the most extensively studied and marketed self-assembling peptide, forming hydrogel, used to create defined threedimensional microenvironments for cell culture applications. Objectives: In this work, we use various biophysical techniques to investigate the length dependency of RADA aggregation and assembly. Methods: We synthesized a series of RADA-N peptides, N ranging from 1 to 4, resulting in four peptides having 4, 8, 12, and 16 amino acids in their sequence. Through a combination of various biophysical methods including thioflavin T fluorescence assay, static right angle light scattering assay, Dynamic Light Scattering (DLS), electron microscopy, CD, and IR spectroscopy, we have examined the role of chain-length on the self-assembly of RADA peptide. Results: Our observations show that the aggregation of ionic, charge-complementary RADA motifcontaining peptides is length-dependent, with N less than 3 are not forming spontaneous selfassemblies. Conclusion: The six biophysical experiments discussed in this paper validate the significance of chain-length on the epitaxial growth of RADA peptide self-assembly.

Thermodynamic and Kinetic Investigation of the Solvent Effect on the Oxidation of [Co(en)2SCH2COO]+ with S2O82- In Water-Methanol and Water-tert-Butyl Alcohol Mixtures

1993 ◽  
Vol 58 (5) ◽  
pp. 1001-1006 ◽  
Author(s):  
Oľga Vollárová ◽  
Ján Benko
Keyword(s):  
Transfer Functions ◽  
Activation Parameters ◽  
Butyl Alcohol ◽  
Oxidation Of Co ◽  
Kinetics Of Oxidation ◽  
Tert Butyl ◽  
Tert Butyl Alcohol ◽  
Alcohol Mixtures ◽  
Kinetics Of

The kinetics of oxidation of [Co(en)2SCH2COO]+ with S2O82- was studied in water-methanol and water-tert-butyl alcohol mixtures. Changes in the reaction activation parameters ∆H≠ and ∆S≠ with varying concentration of the co-solvent depend on the kind of the latter, which points to a significant role of salvation effects. The solvation effect on the reaction is discussed based on a comparison of the transfer functions ∆Ht0, ∆St0 and ∆Gt0 for the initial and transition states with the changes in the activation parameters accompanying changes in the CO-solvent concentration. The transfer enthalpies of the reactant were obtained from calorimetric measurements.

Sticky ends in a self-assembling ABA triblock copolymer: the role of ureas in stimuli-responsive hydrogels

2019 ◽  
Vol 4 (1) ◽  
pp. 91-102 ◽  
Author(s):  
Ryan T. Shafranek ◽  
Joel D. Leger ◽  
Song Zhang ◽  
Munira Khalil ◽  
Xiaodan Gu ◽  
...  
Keyword(s):  
Self Assembly ◽  
Viscoelastic Properties ◽  
Triblock Copolymer ◽  
Thermal Response ◽  
Stimuli Responsive ◽  
Self Assembling ◽  
Polymeric Hydrogels ◽  
Aba Triblock Copolymer ◽  
Responsive Hydrogels

Directed self-assembly in polymeric hydrogels allows tunability of thermal response and viscoelastic properties.

scholarly journals Understanding the role of conjugation length on the self-assembly behaviour of oligophenyleneethynylenes

2021 ◽  
Author(s):  
Beatriz Matarranz ◽  
Goutam Ghosh ◽  
Ramesh Kandanelli ◽  
Angel Sampedro ◽  
Kalathil K. Kartha ◽  
...  
Keyword(s):  
Self Assembly ◽  
The Self ◽  
Conjugation Length ◽  
The Relationship

We unravel the relationship between conjugation length and self-assembly behaviour of oligophenyleneethynylenes (OPEs).

scholarly journals On the Role of Peripheral H‐bonding Directors in the Tubular Self‐assembly of Dinucleobase Monomers

ChemPlusChem ◽  
2021 ◽  
Author(s):  
Violeta Vázquez-González ◽  
María J. Mayoral ◽  
Fatima Aparicio ◽  
Paula Martínez-Arjona ◽  
David Gonzalez Rodriguez
Keyword(s):  
Self Assembly

γ-Valerolactone-Introduced Controlled-Isomerization of Glucose for Lactic Acid Production over Sn-Beta Catalyst

2021 ◽  
Author(s):  
Xinpeng Zhao ◽  
Zhimin Zhou ◽  
hu luo ◽  
Yanfei Zhang ◽  
Wang Liu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Lactic Acid ◽  
Dft Calculations ◽  
Acid Production ◽  
Density Functional ◽  
Lactic Acid Production ◽  
Hydrothermal Conversion ◽  
Functional Theory ◽  
Environment Friendly

Combined experiments and density functional theory (DFT) calculations provided insights into the role of the environment-friendly γ-valerolactone (GVL) as a solvent in the hydrothermal conversion of glucose into lactic acid...

scholarly journals The Role of the Disulfide Bridge in the Copper (II) Binding by the Cyclic His4-Peptide

2021 ◽  
Vol 22 (12) ◽  
pp. 6458
Author(s):  
Aleksandra Pieniężna ◽  
Weronika Witak ◽  
Aneta Szymańska ◽  
Justyna Brasuń
Keyword(s):  
Metal Ions ◽  
Coordination Mode ◽  
Transition Metal Ions ◽  
Disulfide Bridge ◽  
Chain Flexibility ◽  
Vis Spectroscopy ◽  
Ph Range ◽  
Cd Studies ◽  
Metal Ratios

In this paper, we present studies on the influence of the disulfide bridge on the copper (II) ions’ binding abilities by the cyclic His4-peptide. The studied ligand HKHPHRHC-S-S-C consists of nine amino acids. The cyclic structure was obtained through a disulfide bridge between two cysteinyl groups. Moreover, this peptide is characterized by the presence of four His residues in the sequence, which makes it an interesting ligand for transition metal ions. The potentiometric and spectroscopic (UV-Vis spectroscopy and circular dichroism spectroscopy (CD)) studies were carried out in various molar ligand to metal ratios: 2:1, 1:1, and 1:2, in the pH range of 2.5–11 at 25 °C. The results showed that the cyclic His4-peptide promotes dinuclear complexes in each of these systems and forms the final dinuclear species with the {NIm, 3N-amide}{NIm, 3N-amide} coordination mode. The obtained data shows that cyclization by the formation of the disulfide bond has an impact on the peptide chain flexibility and appearance of additional potential donors for metal ions and influences the copper (II) ions’ coordination.

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