Highly sensitive and selective uranium detection in natural water systems using a luminescent mesoporous metal–organic framework equipped with abundant Lewis …

W Liu, X Dai, Z Bai, Y Wang, Z Yang… - … science & technology, 2017 - ACS Publications
Uranium is not only a strategic resource for the nuclear industry but also a global
contaminant with high toxicity. Although several strategies have been established for …

Multistep desolvation as a fundamental principle governing peptide self-assembly through liquid–liquid phase separation

C Yuan, R Xing, J Cui, W Fan, J Li, X Yan - CCS Chemistry, 2024 - chinesechemsoc.org
Biomolecular self-assembly based on peptides and proteins is a general phenomenon
encountered in natural and synthetic systems. Liquid–liquid phase separation (LLPS) is …

Exceptional perrhenate/pertechnetate uptake and subsequent immobilization by a low-dimensional cationic coordination polymer: overcoming the hofmeister bias …

L Zhu, C Xiao, X Dai, J Li, D Gui, D Sheng… - … & Technology Letters, 2017 - ACS Publications
We report one of the most efficient scavenger materials, a cationic crystalline coordination
polymer SBN for trapping ReO4–, a surrogate for 99TcO4–, as an anionic radioactive …

Tuning of a A–A–D–A–A-type small molecule with benzodithiophene as a central core with efficient photovoltaic properties for organic solar cells

U Azeem, RA Khera, A Naveed, M Imran, MA Assiri… - ACS …, 2021 - ACS Publications
With the aim of upgrading the power conversion efficiency of organic solar cells (OSCs), four
novel non-fullerene, A1–A2–D–A2–A1-type small molecules were designed that are …

Nonadiabatic excited-state dynamics with machine learning

PO Dral, M Barbatti, W Thiel - The journal of physical chemistry …, 2018 - ACS Publications
We show that machine learning (ML) can be used to accurately reproduce nonadiabatic
excited-state dynamics with decoherence-corrected fewest switches surface hopping in a 1 …

Conformational effects on physical-organic descriptors: the case of sterimol steric parameters

AV Brethomé, SP Fletcher, RS Paton - ACS catalysis, 2019 - ACS Publications
Mathematical relationships that relate chemical structure with selectivity have provided
quantitative insights underlying catalyst design and informing mechanistic studies. However …

Do double-hybrid exchange–correlation functionals provide accurate chemical shifts? A benchmark assessment for proton NMR

MT de Oliveira, JMA Alves, AAC Braga… - Journal of Chemical …, 2021 - ACS Publications
A benchmark density functional theory (DFT) study of 1H NMR chemical shifts for data sets
comprising 200 chemical shifts, including complex natural products, has been carried out to …

Tetraphenylethylene-functionalized metal–organic frameworks with strong aggregation-induced electrochemiluminescence for ultrasensitive analysis through a …

X Xiong, C Xiong, Y Gao, Y Xiao, MM Chen… - Analytical …, 2022 - ACS Publications
Since aggregation-induced electrochemiluminescence (AIECL) combined the merits of
aggregation-induced emission (AIE) and electrochemiluminescence (ECL), it has become a …

3D luminescent amide-functionalized cadmium tetrazolate framework for selective detection of 2, 4, 6-trinitrophenol

A Buragohain, M Yousufuddin, M Sarma… - Crystal Growth & …, 2016 - ACS Publications
A new 3D fluorescent amide-functionalized Cd (II)-based metal–organic framework (MOF)
with molecular formula [Cd5Cl6 (L)(HL) 2]· 7H2O (1) was synthesized under solvothermal …

Synthesis and characterization of [5] cycloparaphenylene

E Kayahara, VK Patel, S Yamago - Journal of the American …, 2014 - ACS Publications
The synthesis of highly strained [5] cycloparaphenylene ([5] CPP), a structural unit of the
periphery of C60 and the shortest possible structural constituent of the sidewall of a (5, 5) …