Results 51 to 60 of about 12,581 (214)

Partitioning of p-electrons in rings of diaza-derivatives of acenes [PDF]

Journal of the Serbian Chemical Society, 2008
A few years ago, a method was proposed for assessing the p-electron content (EC) of rings in heteroatom-containing benzenoid molecules. In this work, the effect of two nitrogen atoms at the opposite sides of a linear benzenoid molecule on the ...
SONJA STANKOVIC, JELENA DJURDJEVIC, IVAN GUTMAN, RADMILA MILENTIJEVIC   +3 more
doaj  

One-pot synthesis of cyclic-aminotropiminium carboxylate derivatives with DNA binding and anticancer properties

Communications Chemistry, 2022
Tropolones harbor a non-benzenoid aromatic scaffold and display a wide-range of bioactivities, however, the cyclic derivatives of aminotroponimines remain underexplored. Here, the authors develop a one-pot synthesis of N Alkyl /C Aryl -substituted cyclic-
Bibhuti Bhusana Palai, Saket Awadhesbhai Patel, Nagendra K. Sharma, Manjusha Dixit   +3 more
doaj   +1 more source

Charge-Transfer Probes for Molecular Recognition \u3cem\u3evia\u3c/em\u3e Steric Hindrance in Donor-Acceptor Pairs [PDF]

, 1997
Molecular association of various aromatic hydrocarbons (D, including sterically hindered donors) with a representative group of diverse acceptors (A = quinone, trinitrobenzene, tetracyanoethylene, tropylium, tetranitromethane, and nitrosonium) is ...
Kochi, Jay K., Lindeman, Sergey V., Rathore, Rajendra   +2 more
core   +1 more source

Generalizations of Wiener polarity index and terminal Wiener index

, 2012
In theoretical chemistry, distance-based molecular structure descriptors are used for modeling physical, pharmacologic, biological and other properties of chemical compounds.
Ilic, Aleksandar, Ilic, Milovan
core   +1 more source

Benzo[cd]azulenyl: A Structural Isomer of Phenalenyl—Synthesis and Properties of Its Tri‐tert‐butyl‐substituted Derivative and Formation of a Thermal‐ and Photoresponsive σ‐Dimer

Chemistry – A European Journal, EarlyView.
Benzo[cd]azulenyl, a nonalternant isomer of phenalenyl, is identified as a new member of the nonalternant hydrocarbon radical family. The tri‐tert‐butyl substituted derivative forms a stable σ‐dimer in the solid state. Upon exposure to external stimuli such as light and heat, the σ‐bond of the dimer dissociates, producing the monomeric radical.
Kaho Takeuchi, Akihito Konishi, Makoto Yasuda   +2 more
wiley   +1 more source

Computation of Topological Indices of Double and Strong Double Graphs of Circumcoronene Series of Benzenoid Hm

Journal of Mathematics, 2022
Topological indices are very useful to assume certain physiochemical properties of the chemical compound. A molecular descriptor which changes the molecular structures into certain real numbers is said to be a topological index. In chemical graph theory,
Muhammad Shoaib Sardar, Imran Siddique, Dalal Alrowaili, Muhammad Asad Ali, Shehnaz Akhtar   +4 more
doaj   +1 more source

Electronic structure of solid coronene: differences and commonalities to picene

, 2011
We have obtained the first-principles electronic structure of solid coronene, which has been recently discovered to exhibit superconductivity with potassium doping. Since coronene, along with picene, the first aromatic superconductor, now provide a class
E. Clar, Hideo Aoki, Ryotaro Arita, Shoji Ishibashi, Taichi Kosugi, Takashi Miyake   +5 more
core   +1 more source

Unraveling Synergistic Regulation Mechanism in Nitrogen/Sulfur Co‐Doped Biomass‐Derived Hard Carbon Toward Durable Sodium‐Ion Battery Anodes

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Nitrogen/sulfur co‐doping optimizes the electron and spatial structure of biomass‐derived hard carbon, and the anode demonstrates superior long‐term cycling stability over 2000 cycles, validating an improved “adsorption‐intercalation‐pore filling” mechanism.
Qian Long, Fangyuan Zhang, Jiayu Qu, Songtao Li, Renfei Cheng, Yaning Zhao, Di Guo, Zhengwang Zhu, Haifeng Zhang   +8 more
wiley   +1 more source

Structure, Stability, Edge States and Aromaticity of Graphene Ribbons

, 2008
We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory.
A. Marco Saitta, Ari P. Seitsonen, E. Clar, E. Clar, Francesco Mauri, M. W. Chase, Jr., Michele Lazzeri, Tobias Wassmann   +7 more
core   +3 more sources

Probiotics‐derived postbiotics improve host metabolic syndrome by activating the adipocyte thermogenic signaling pathway in high‐fat diet‐fed mice

iMetaOmics, EarlyView.
This schematic illustrates how probiotics‐derived postbiotics (PLBK®1–5) combat high‐fat diet‐induced obesity. Postbiotics remodel gut microbiota, boosting beneficial metabolites. These metabolites activate adipocyte thermogenesis (Ucp1/AMPK pathway), resulting in reduced body weight, improved insulin sensitivity, and alleviated hepatic steatosis in ...
Ye Tian, Liujing Huang, Yifan Liu, Xudong Mai, Yanbo Cheng, Bingdong Liu, Yixin Chen, Liwei Xie   +7 more
wiley   +1 more source