Crown Ether‐Magnesium Ion Complexes: A Reliable Theoretical Estimation of Host‐Guest Interaction and Binding Energies in a Solvent DOI
Katarina Ćeranić, Branislav Milovanović, Milena Petković

et al.

ChemPlusChem, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 11, 2024

Metal ion detection is of paramount importance for health monitoring. The host should properly accommodate the desired and be selective with respect to other potential guests, which makes devising sensors a demanding task. Recently (Phys. Chem. Phys. 2023, 25, 32656), we suggested procedure computational design crown ethers that can capture magnesium ions. In present contribution apply same approach search Mg

Language: Английский

Recovery of indium by solvent extraction with crown ether in the presence of KCl and stripping with HCl: A mechanistic study DOI
Gaojie Chen,

Yanhang Xiong,

Liang Xu

et al.

Hydrometallurgy, Journal Year: 2024, Volume and Issue: 229, P. 106378 - 106378

Published: July 29, 2024

Language: Английский

Citations

4

Thin-Film Composite Membranes Featuring Open-Chain Crown Ether Aromatic Diacyl Chloride for Monovalent/Divalent Ion Separation DOI
Zhenrong Zhou, Shuang Han, Ning Gan

et al.

Journal of Membrane Science, Journal Year: 2025, Volume and Issue: unknown, P. 124165 - 124165

Published: May 1, 2025

Language: Английский

Citations

0

Direct Analysis of Complex Reaction Mixtures: Formose Reaction DOI Creative Commons
Anamarija Briš, Mathieu G. Baltussen, Guilherme L. Tripodi

et al.

Angewandte Chemie International Edition, Journal Year: 2023, Volume and Issue: 63(6)

Published: Dec. 15, 2023

Complex reaction mixtures, like those postulated on early Earth, present an analytical challenge because of the number components, their similarity, and vastly different concentrations. Interpreting networks is typically based simplified or partial data, limiting our insight. We a new approach online monitoring mixtures formed by formose ion-mobility-separation mass-spectrometry. Monitoring led to large data sets that we analyzed non-negative matrix factorization, thereby identifying ion-signal groups capturing time evolution network. The comprised ≈300 major ion signals corresponding sugar-calcium complexes during reaction. Multivariate analysis kinetic profiles these provided overview interconnected processes in solution, highlighting pathways for sugar growth effects initiators initial kinetics. Reconstructing network's topology further, revealed so far unnoticed fast retro-aldol ketoses, which significantly affects dynamics. also detected onset sugar-backbone branching C

Language: Английский

Citations

7

Hydroboration of imines: intermolecularvs.intramolecular hydride transfer DOI
Siyuan Zhai, D. Vidović, Milena Petković

et al.

New Journal of Chemistry, Journal Year: 2023, Volume and Issue: 47(24), P. 11544 - 11556

Published: Jan. 1, 2023

We performed a detailed experimental and theoretical analysis of the 1,3-hydride shift in imine–BH 3 adducts, which represents crucial step formation mono-aminoboranes (R 2 N–BH ).

Language: Английский

Citations

3

A potential nonlinear optical material for crown-porphyrin complexes: Alkali metal doping and transition metal introducing DOI
Wenbo Liu,

Ping-yao Gan,

Xiao Huang

et al.

Journal of Molecular Liquids, Journal Year: 2023, Volume and Issue: 389, P. 122878 - 122878

Published: Aug. 21, 2023

Language: Английский

Citations

2

Computational insight towards the binding affinity and participation of aliphatic unsaturated sidearms of aza-18-crown-6 extractants for Sr2+ encapsulation in different solvent medium DOI
Rajesh Patidar,

Hariom Gupta,

Aman Savita

et al.

Journal of Molecular Modeling, Journal Year: 2023, Volume and Issue: 29(9)

Published: Aug. 25, 2023

Language: Английский

Citations

2

Density functional theory study of crown ether–magnesium complexes: from a solvated ion to an ion trap DOI
Katarina Ćeranić, Branislav Milovanović, Milena Petković

et al.

Physical Chemistry Chemical Physics, Journal Year: 2023, Volume and Issue: 25(47), P. 32656 - 32665

Published: Jan. 1, 2023

A theoretical protocol is proposed for designing an optimal trap a desired metal cation.

Language: Английский

Citations

1

Direct Analysis of Complex Reaction Mixtures: Formose Reaction DOI Creative Commons
Anamarija Briš, Mathieu G. Baltussen, Guilherme L. Tripodi

et al.

Angewandte Chemie, Journal Year: 2023, Volume and Issue: 136(6)

Published: Dec. 15, 2023

Abstract Complex reaction mixtures, like those postulated on early Earth, present an analytical challenge because of the number components, their similarity, and vastly different concentrations. Interpreting networks is typically based simplified or partial data, limiting our insight. We a new approach online monitoring mixtures formed by formose ion‐mobility‐separation mass‐spectrometry. Monitoring led to large data sets that we analyzed non‐negative matrix factorization, thereby identifying ion‐signal groups capturing time evolution network. The comprised ≈300 major ion signals corresponding sugar‐calcium complexes during reaction. Multivariate analysis kinetic profiles these provided overview interconnected processes in solution, highlighting pathways for sugar growth effects initiators initial kinetics. Reconstructing network's topology further, revealed so far unnoticed fast retro‐aldol ketoses, which significantly affects dynamics. also detected onset sugar‐backbone branching C 6 sugars cyclization reactions starting 5 sugars. This top‐down opens way analyze complex dynamic with unprecedented coverage resolution.

Language: Английский

Citations

1

Crown Ether‐Magnesium Ion Complexes: A Reliable Theoretical Estimation of Host‐Guest Interaction and Binding Energies in a Solvent DOI
Katarina Ćeranić, Branislav Milovanović, Milena Petković

et al.

ChemPlusChem, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 11, 2024

Metal ion detection is of paramount importance for health monitoring. The host should properly accommodate the desired and be selective with respect to other potential guests, which makes devising sensors a demanding task. Recently (Phys. Chem. Phys. 2023, 25, 32656), we suggested procedure computational design crown ethers that can capture magnesium ions. In present contribution apply same approach search Mg

Language: Английский

Citations

0