Results 191 to 200 of about 4,874,213 (359)

Extended Hückel Molecular Orbital Calculations on the Nucleophile-Initiated Polymerization of α, α-Disubstituted β-Lactones

, 1972
Katsutoshi Ohkubo, Hiroyuki Sakamoto, Keisuke Morita   +2 more
openalex   +2 more sources

Intraparticle Molecular Orbital Engineering of Semiconducting Polymer Nanoparticles as Amplified Theranostics for in Vivo Photoacoustic Imaging and Photothermal Therapy.

ACS Nano, 2016
Yan Lyu, Yuan Fang, Qingqing Miao, Xu Zhen, D. Ding, Kanyi Pu   +5 more
semanticscholar   +1 more source

Tailoring the Properties of Functional Materials With N‐Oxides

Advanced Functional Materials, EarlyView.
The properties of materials bearing N‐oxide groups are often dominated by the polar N+─O− bond. It provides hydrophilicity, selective ion‐binding, electric conductivity, or antifouling properties. Many of the underlying mechanisms have only recently been discovered, and the interest in N‐oxide materials is rapidly growing.
Timo Friedrich, Michelle Kobus, Shirin Mesgarha, Erica Moretto, Laurens Grosche, Wolfgang Maison   +5 more
wiley   +1 more source

Graph Convolutional Neural Network-Enabled Frontier Molecular Orbital Prediction: A Case Study with Neurotransmitters and Antidepressants. [PDF]

J Chem Inf Model
Monsia R, Gundry SC, Mohr ML, Smith MA, Bhattacharyya S, Hati S.   +5 more
europepmc   +1 more source

Region‐to‐Region Unidirectional Connection In Vitro Brain Model for Studying Directional Propagation of Neuropathologies

Advanced Functional Materials, EarlyView.
A unidirectional cerebral organoid–organoid neural circuit is established using a microfluidic platform, enabling controlled directional propagation of electrical signals, neuroinflammatory cues, and neurodegenerative disease–related proteins between spatially separated organoids.
Kyeong Seob Hwang, Hui‐Wen Liu, Hyogeun Shin, Hyun Wook Kang, Minjin Kang, Jongbaeg Kim, Il‐Joo Cho, Nakwon Choi, Seok Chung, Hong Nam Kim   +9 more
wiley   +1 more source

Parity-forbidden superatomic molecular orbital interaction and aurophilicity induced H─Au bonding in H@Au₂₀. [PDF]

Sci Adv
Wan C, Yang X, Gong Z, Li R, Shi Y, Teo BK, Wang Z.   +6 more
europepmc   +1 more source

Molecular Interactions between Methylene Blue and Sodium Alginate Studied by Molecular Orbital Calculations. [PDF]

Molecules, 2021
Temeepresertkij P, Iwaoka M, Iwamori S.
europepmc   +1 more source

Strain‐Activated Photo‐Dehalogenation Unlocks Low‐Energy One and Two‐Photon 3D Microfabrication

Advanced Functional Materials, EarlyView.
5,14‐NMI‐Cz acts, conversely to its 7,10‐NMI‐Cz(7,10‐'dibromo‐2‐(2,6‐diisopropylphenyl)‐1H‐benzo[lmn]carbazolo[9,1‐bc][2,8]phenanthroline‐1,3(2H)‐dione) counterpart, as modular photoinitiator with panchromatic photoactivity, featuring a weak C–Br bond from geometric strain for efficient Type I & II initiation. These studies demonstrate applicability of
Kacper Piskorz, Katarzyna Starzak, Malgorzata Noworyta, Konrad Cyprych, Krzysztof Bartkowski, Zahra Badri, Sukhvinder Dhiman, Cina Foroutan‐Nejad, Jaroslaw Mysliwiec, Marcin Lindner, Joanna Ortyl   +10 more
wiley   +1 more source

Designing Novel InhA Inhibitors for Antituberculosis Agents Using ab Initio Fragment Molecular Orbital Calculations. [PDF]

ACS Omega
Pornprom T, Pakamwong B, Sukchit D, Yuguchi M, Nagura Y, Sabishiro H, Chimura N, Punkvang A, Thongdee P, Suttisintong K, Kittakoop P, Kurita N, Pungpo P.   +12 more
europepmc   +1 more source

Exploiting Two‐Photon Lithography, Deposition, and Processing to Realize Complex 3D Magnetic Nanostructures

Advanced Functional Materials, EarlyView.
Two‐photon lithography (TPL) enables 3D magnetic nanostructures with unmatched freedom in geometry and material choice. Advances in voxel control, deposition, and functionalization open pathways to artificial spin ices, racetracks, microrobots, and a number of additional technological applications.
Joseph Askey, Arjen van den Berg, Sandra Ruiz Gomez, Claire Donnelly, Dirk Grundler, Sam Ladak   +5 more
wiley   +1 more source