4.5 Article

Second Harmonic Generation Signatures of Supramolecular Assemblies Based on Amide Moieties

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Review Chemistry, Multidisciplinary

Predicting the Second-Order Nonlinear Optical Responses of Organic Materials: The Role of Dynamics

Frederic Castet et al.

Summary: Computational chemistry has played an important role in understanding the nonlinear optical responses of organic chromophores in the past 30 years. Recent studies have shown the significant impact of structural fluctuations on the nonlinear optical responses, affecting their distribution and variation. This article presents case studies that highlight the importance of these effects in simulating second-order nonlinear optical properties.

ACCOUNTS OF CHEMICAL RESEARCH (2022)

Article Chemistry, Physical

Second Harmonic Generation Responses of Ion Pairs Forming Dimeric Aggregates

Tarcius N. Ramos et al.

Summary: A sequential approach combining molecular dynamics and density functional theory calculations is used to investigate the second harmonic generation responses of anion-cation pairs forming dimeric aggregates. The different structural shapes of the dimers have been shown to affect the second- and third-order nonlinear optical responses. The study provides insights into the variations in electrical-field-induced second harmonic generation responses of these complexes as a function of concentration, and highlights the importance of dimeric aggregation on the nonlinear optical responses.

JOURNAL OF PHYSICAL CHEMISTRY B (2021)

Article Chemistry, Physical

Multistep Micellization of Standard Surfactants Evidenced by Second Harmonic Scattering

O. Bonhomme et al.

Summary: Processes involving a reduced number of molecules in solution are difficult to characterize, but can be investigated using SHS to study surfactant micellization before reaching the critical micellar concentration. The experimental results are explained by a simple model based on chemical equilibria between monomers and micelles, and polarization resolved experiments reveal long-range molecular orientation correlation.

JOURNAL OF PHYSICAL CHEMISTRY B (2021)

Article Chemistry, Physical

Self-assembling, structure and nonlinear optical properties of fluorescent organic nanoparticles in water

Laurie Lescos et al.

Summary: This study presents a computational investigation on the structural organization and optical properties of fluorescent organic nanoparticles (FONs) incorporating specific chromophores, shedding light on the molecular aggregation process in water and the impact of intermolecular interactions on their nonlinear optical responses. The research combines molecular dynamics simulations, quantum chemical calculations, and the tight-binding version of simplified time-dependent density functional theory (sTD-DFT) to provide insights into the nanoscale behavior of FONs.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

Article Chemistry, Physical

Computational prediction of the supramolecular self-assembling properties of organic molecules: the role of conformational flexibility of amide moieties

Laura Le Bras et al.

Summary: Two families of organic molecules, one based on a macrolactam-like unit and the other composed of a substituted central phenyl, were studied for their ability to self-assemble into organic nanotubes. Both families have three amide moieties permitting hydrogen bonding when stacked. A computational protocol was proposed to differentiate the families and determine the best candidate for self-assembling purposes, using a combination of quantum mechanics approach, molecular dynamics simulations, and tailored tools and techniques.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

Article Chemistry, Physical

Dynamic Structural Effects on the Second-Harmonic Generation of Tryptophane-Rich Peptides and Gramicidin A

Jakob Seibert et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2020)

Article Chemistry, Physical

Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanines

Laurie Lescos et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Chemistry, Multidisciplinary

Self-Assembly of C3 Symmetric Rigid Macrolactams into Very Polar and Porous Trigonal Crystals

Thomas Marmin et al.

CHEMISTRY-A EUROPEAN JOURNAL (2019)

Article Chemistry, Physical

ONIOM Investigation of the Second-Order Nonlinear Optical Responses of Fluorescent Proteins

Marc de Wergifosse et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2018)

Article Chemistry, Physical

Dynamical Behavior and Second Harmonic Generation Responses in Acido-Triggered Molecular Switches

Kornelia Pielak et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Article Medicine, General & Internal

Parkinson disease

Werner Poewe et al.

NATURE REVIEWS DISEASE PRIMERS (2017)

Review Chemistry, Multidisciplinary

Cooperativity Scale: A Structure-Mechanism Correlation in the Self-Assembly of Benzene-1,3,5-tricarboxamides

Chidambar Kulkarni et al.

ACCOUNTS OF CHEMICAL RESEARCH (2017)

Article Chemistry, Physical

Explicit versus Implicit Solvation Effects on the First Hyperpolarizability of an Organic Biphotochrome

Jean Quertinmont et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2015)

Article Multidisciplinary Sciences

Structure of the toxic core of α-synuclein from invisible crystals

Jose A. Rodriguez et al.

NATURE (2015)

Article Chemistry, Multidisciplinary

In Vitro and Mechanistic Studies of an Antiamyloidogenic Self-Assembled Cyclic D,L-α-Peptide Architecture

Michal Richman et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)

Article Chemistry, Multidisciplinary

The Supramolecular Chemistry of β-Sheets

Pin-Nan Cheng et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)

Article Chemistry, Physical

Reference molecules for nonlinear optics: A joint experimental and theoretical investigation

Frederic Castet et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Polar Switching in Trialkylbenzene-1,3,5-tricarboxamides

Carel F. C. Fitie et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2012)

Article Chemistry, Analytical

Second Harmonic Generation Imaging Microscopy: Applications to Diseases Diagnostics

Paul Campagnola

ANALYTICAL CHEMISTRY (2011)

Article Chemistry, Multidisciplinary

Three-Dimensional Visualization of the First Hyperpolarizability Tensor

Adam Tuer et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)

Article Chemistry, Physical

Dyes for biological second harmonic generation imaging

James E. Reeve et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

Review Chemistry, Multidisciplinary

Binding Mechanisms in Supramolecular Complexes

Hans-Joerg Schneider

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)

Article Chemistry, Multidisciplinary

Insight into the mechanisms of cooperative self-assembly:: The sergeants-and-soldiers principle of chiral and achiral C3-symmetrical discotic triamides

Maarten M. J. Smulders et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Article Chemistry, Multidisciplinary

Supramolecular nanotube endo sensing for a guest protein

Naohiro Kameta et al.

Article Chemistry, Multidisciplinary

Theoretical investigation of the second-order nonlinear optical properties of helical pyridine-pyrimidine oligomers

Edith Botek et al.

CHEMISTRY-A EUROPEAN JOURNAL (2006)

Review Chemistry, Multidisciplinary

Quantum mechanical continuum solvation models

J Tomasi et al.

CHEMICAL REVIEWS (2005)

Article Chemistry, Multidisciplinary

Crystalline thin films formed by supramolecular assembly for ultrahigh-density data storage

YQ Wen et al.

ADVANCED MATERIALS (2004)

Article Multidisciplinary Sciences

Self-assembly and mineralization of peptide-amphiphile nanofibers

JD Hartgerink et al.

SCIENCE (2001)