Computational electrochemistry: prediction of liquid-phase reduction potentials

AV Marenich, J Ho, ML Coote, CJ Cramer… - Physical Chemistry …, 2014 - pubs.rsc.org
This article reviews recent developments and applications in the area of computational
electrochemistry. Our focus is on predicting the reduction potentials of electron transfer and …

Energy-and atom-efficient chemical synthesis with endergonic photocatalysis

H Wang, YM Tian, B König - Nature Reviews Chemistry, 2022 - nature.com
Endergonic photocatalysis is the use of light to perform catalytic reactions that are
thermodynamically unfavourable. While photocatalysis has become a powerful tool in …

Cancer cell-mitochondria hybrid membrane coated Gboxin loaded nanomedicines for glioblastoma treatment

Y Zou, Y Sun, Y Wang, D Zhang, H Yang… - Nature …, 2023 - nature.com
Glioblastoma (GBM) remains the most lethal malignant tumours. Gboxin, an oxidative
phosphorylation inhibitor, specifically restrains GBM growth by inhibiting the activity of F0F1 …

Chemically circular, mechanically tough, and melt-processable polyhydroxyalkanoates

L Zhou, Z Zhang, C Shi, M Scoti, DK Barange… - Science, 2023 - science.org
Polyhydroxyalkanoates (PHAs) have attracted increasing interest as sustainable plastics
because of their biorenewability and biodegradability in the ambient environment. However …

Hydroformylation of pyrolysis oils to aldehydes and alcohols from polyolefin waste

H Li, J Wu, Z Jiang, J Ma, VM Zavala, CR Landis… - Science, 2023 - science.org
Waste plastics are an abundant feedstock for the production of renewable chemicals.
Pyrolysis of waste plastics produces pyrolysis oils with high concentrations of olefins (> 50 …

[HTML][HTML] Hydrogen bonds interactions in biuret-water clusters: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NLO analysis

AS Kazachenko, N Issaoui, A Sagaama… - Journal of King Saud …, 2022 - Elsevier
In this work, we studied intermolecular aqueous clusters of biuret, an important urea
derivative. FTIR showed an increase in the intensity of absorption bands when water …

Photoexcitation of flavoenzymes enables a stereoselective radical cyclization

KF Biegasiewicz, SJ Cooper, X Gao, DG Oblinsky… - Science, 2019 - science.org
Photoexcitation is a common strategy for initiating radical reactions in chemical synthesis.
We found that photoexcitation of flavin-dependent “ene”-reductases changes their catalytic …

Trimethylamine N-oxide–derived zwitterionic polymers: A new class of ultralow fouling bioinspired materials

B Li, P Jain, J Ma, JK Smith, Z Yuan, HC Hung, Y He… - Science …, 2019 - science.org
Materials that resist nonspecific protein adsorption are needed for many applications.
However, few are able to achieve ultralow fouling in complex biological milieu. Zwitterionic …

Corrosion inhibition of mild steel by two new S-heterocyclic compounds in 1 M HCl: experimental and computational study

D Daoud, T Douadi, H Hamani, S Chafaa, M Al-Noaimi - Corrosion Science, 2015 - Elsevier
The inhibition ability of a new S-heterocyclic Schiff base (SB) and the corresponding amine
(DBTDA) towards mild steel corrosion in HCl solution was studied at various concentrations …

Expanded [2,1][n]Carbohelicenes with 15- and 17-Benzene Rings

M Toya, T Omine, F Ishiwari, A Saeki… - Journal of the …, 2023 - ACS Publications
Expanded carbohelicenes with structures fused to 15-and 17-benzene were successfully
synthesized. Establishing a new synthetic strategy is crucial to realize the development of …