Results 71 to 80 of about 443,970 (323)
The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization [PDF]
, 2005 In this work, the aromatic fluctuation index (FLU) that describes the fluctuation of electronic charge between adjacent atoms in a given ring is introduced as a new aromaticity measure.
Duran i Portas, Miquel +2 more
core +2 more sources
On the relations between aromaticity and substituent effect
Structural Chemistry, 2019 Aromaticity/aromatic and substituent/substituent effects belong to the most commonly used terms in organic chemistry and related fields. The quantitative description of aromaticity is based on energetic, geometric (e.g., HOMA), magnetic (e.g., NICS) and ...
H. Szatyłowicz +2 more
semanticscholar +1 more source
, 2021 A start is made with the family of the para-dihalobenzenes, including the key system p-dichlorobenzene + p-dibromobenzene. Special attention is given to the melting behaviour of mixed materials prepared by zone levelling. The family of the dihalobenzenes is followed by the group of the 2-R-substituted naphthalenes which includes naphthalene itself (R =
Van Der Linde, P. R., Oonk, H. A. J.
openaire +1 more source
Molecular Oncology, EarlyView.AZD9291 has shown promise in targeted cancer therapy but is limited by resistance. In this study, we employed metabolic labeling and LC–MS/MS to profile time‐resolved nascent protein perturbations, allowing dynamic tracking of drug‐responsive proteins. We demonstrated that increased NNMT expression is associated with drug resistance, highlighting NNMT ...
Zhanwu Hou +5 more
wiley +1 more source
Quantum walks in polycyclic aromatic hydrocarbons
New Journal of Physics, 2021 Aromaticity is a well-known phenomenon in both physics and chemistry, and is responsible for many unique chemical and physical properties of aromatic molecules.
Prateek Chawla, C. M. Chandrashekar
doaj +1 more source
Rethinking plastic waste: innovations in enzymatic breakdown of oil‐based polyesters and bioplastics
FEBS Open Bio, EarlyView.Plastic pollution remains a critical environmental challenge, and current mechanical and chemical recycling methods are insufficient to achieve a fully circular economy. This review highlights recent breakthroughs in the enzymatic depolymerization of both oil‐derived polyesters and bioplastics, including high‐throughput protein engineering, de novo ...
Elena Rosini +2 more
wiley +1 more source
Edge modification of PAHs: the effect of embedded heterocycles on the aromaticity pattern [PDF]
, 2015 International audienceAromaticity studies carried out on the condensed model system 2 with different heteroatoms showed that the NICS(1) aromaticity in the five-membered ring correlates with that in the parent five-membered ring having the same ...
Bouit, Pierre-Antoine +3 more
core +3 more sources
Aromaticity and Antiaromaticity in the Excited States of Porphyrin Nanorings
Journal of Physical Chemistry Letters, 2019 Aromaticity can be a useful concept for predicting the behavior of excited states. Here we show that π-conjugated porphyrin nanorings exhibit size-dependent excited-state global aromaticity and antiaromaticity for rings containing up to eight porphyrin ...
Martin D. Peeks +6 more
semanticscholar +1 more source
FEBS Open Bio, EarlyView.KHS‐Cnd peptide is able to impair biofilm formation and disaggregate mature biofilms in Acinetobacter baumannii clinical isolates. Differences in extracellular metabolites reflect changes in biofilm metabolism due to KHS‐Cnd treatment. Among the differentially represented extracellular metabolites upon KHS‐Cnd treatment, the significantly altered ...
Fernando Porcelli +9 more
wiley +1 more source
Are Metallacyclopentadienes Always Non-Aromatic?
Chemistry, 2021 Even though metallacyclopentadienes (MCPs) are among the most common metallacycles, their electron delocalization (aromaticity) has received far less attention than other metallacycles, such as metallabenzenes.
Ricardo Casiano-González +1 more
doaj +1 more source