Results 91 to 100 of about 17,729 (255)

Comparison of different density functional theory methods for the calculation of vibrational circular dichroism spectra [PDF]

, 2023
Jonathan Groß, Jonas Kühlborn, Stefan Pusch, Carina Weber, Lars Andernach, Galit Renzer, Paul Eckhardt, Jan Cornelius Brauer, Till Opatz   +8 more
openalex   +1 more source

Achieving Photo‐Activated Circularly Polarized Room Temperature Phosphorescence from Natural Biopolymers

Advanced Science, EarlyView.
This bio‐based chiral luminescent system exhibit photo‐activated CPRTP by anchoring arylboronic acids to hydroxypropyl cellulose (HPC) matrix. Notably, by controlling the drying kinetics, dynamic switchable CPRTP with opposite handedness can be obtained due to a balance of photonic bandgap (PBG) effect and chirality transfer effect induced by the HPC ...
Shaoyi Cao, Mingcong Xu, Bang An, Baoqi Li, Wenye Sun, Wenbo Cui, Rui Teng, Chunhui Ma, Sha Luo, Bing Tian, Zhijun Chen, Shouxin Liu, Wei Li   +12 more
wiley   +1 more source

Asymmetry in the Qy Fluorescence and Absorption Spectra of Chlorophyll a Pertaining to Exciton Dynamics

Frontiers in Chemistry, 2020
Significant asymmetry found between the high-resolution Qy emission and absorption spectra of chlorophyll-a is herein explained, providing basic information needed to understand photosynthetic exciton transport and photochemical reactions.
Jeffrey R. Reimers, Margus Rätsep, Arvi Freiberg, Arvi Freiberg   +3 more
doaj   +1 more source

A case study showing the role of hydrophobicity variants and other enriched mAb proteoforms on filterability through a virus filter with productivity improvement measures

Biotechnology Progress, EarlyView.
Abstract A rapid assessment of manufacturability for drug candidates is crucial for advancing a prospective biotherapeutic from a candidate to a bulk drug substance. A lot‐to‐lot approach to manufacturability is adopted where each biologic batch is assessed for manufacturability as a bulk, unfractionated pool.
Solomon Isu, Derek Silva, Melissa Holstein, Angela Lewandowski, Kristina Cunningham, Adam Sokolnicki, Bala Raghunath   +6 more
wiley   +1 more source

Quantum Chemistry Investigation of Linear and Nonlinear (chir)optical Properties of Oligoamide Foldamers

ChemistryEurope, EarlyView.
The linear and nonlinear (chir)optical properties of four oligoamide foldamers with different donor groups are studied by means of time‐dependent density functional theory calculations. It is shown that stronger donors yield larger hyperpolarizabilities due to low‐lying charge–transfer states. The agreement with the experiments concerning the key bands
Komlanvi Sèvi Kaka, Andrea Bonvicini, Yann Ferrand, Céline Olivier, Vincent Rodriguez, Benoît Champagne   +5 more
wiley   +1 more source

Decoupling Redox Potentials and Excited State Energies in Substituted Chromium(III) Chromophores

Chemistry – A European Journal, EarlyView.
Redox and excited state properties of organic and precious metal CT photocatalysts are strongly entangled. In contrast, redox potentials of polypyridine chromium(III) complexes, that feature purely metal‐centered SF states, are selectively tuned by incremental substituent effects of the CF3 group, while excited state energies and lifetimes remain ...
Steven Sittel, Dimitri Zorn, Alexandra König, Jonas Marcel Grenz, Christoph Förster, Robert Naumann, Katja Heinze   +6 more
wiley   +1 more source

Programming the Optoelectronic Properties of Atomically Precise Gold Nanoclusters Using the Conformational Landscape of Intrinsically Disordered Proteins

Chemistry – A European Journal, EarlyView.
ABSTRACT The rational design of hybrid nanomaterials with precisely controlled properties remains a central challenge in materials science. While atomically precise gold nanoclusters (Au‐NCs) offer molecule‐like control over a metallic core, tuning their optoelectronic behavior via surface engineering is often empirically driven.
Santiago Rodriguez, Sylvain Kumanski, Zeineb Ayed, Aurélie Fournet, Charlène Bouanchaud, Amin Sagar, Frédéric Allemand, Vladimir A. Baulin, Ute Resch‐Genger, Juan Cortés, Nathalie Sibille, Fabien Chirot, Karl David Wegner, Rodolphe Antoine, Xavier Le Guével, Pau Bernadó   +15 more
wiley   +1 more source

Anisotropy Factor Spectra for Weakly Allowed Electronic Transitions in Chiral Ketones

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Anisotropy factor spectra for the weak n→π*‐type A‐band of chiral ketones cannot be described within the Franck–Condon approximation. Thus, we present such spectra computed by accounting for Herzberg–Teller corrections and compare them to experiments for fenchone, camphor and 3MCP to describe chiroptical properties of these molecules in the mid to near
Leon A. Kerber, Oliver Kreuz, Tom Ring, Hendrike Braun, Robert Berger, Daniel M. Reich   +5 more
wiley   +1 more source

Universality of photoelectron circular dichroism in the photoionization of chiral molecules

New Journal of Physics, 2016
Photoionization of chiral molecules by circularly polarized radiation gives rise to a strong forward/backward asymmetry in the photoelectron angular distribution, referred to as photoelectron circular dichroism (PECD).
S Beaulieu, A Ferré, R Géneaux, R Canonge, D Descamps, B Fabre, N Fedorov, F Légaré, S Petit, T Ruchon, V Blanchet, Y Mairesse, B Pons   +12 more
doaj   +1 more source

Efficient Enantiomeric Selectivity Separation Via Homochiral Graphene Oxide Membrane

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A new type of chiral graphene oxide (GO) membrane is proposed that exhibits a separation factor of up to 20.1 as well as a preferential enantiomer flux of 4.5 mmol m−2 h−1. Moreover, the only first FPLC‐compatible column has been further developed via stacking these chiral GO membranes.
Junbo Wang, Jie Jiang, Weijie Yuan, Zonglin Gu, Fangfang Dai, Binquan Peng, Liuhua Mu, Yanwen Tan, Yusong Tu, Pei Li, Liang Chen   +10 more
wiley   +1 more source