Article
Chemistry, Multidisciplinary
George J. Saunders, Andrei K. Yudin
Summary: The passive membrane permeability of macrocycles can be greatly improved by incorporating heterocyclic grafts. However, the permeability does not scale linearly with the number of heterocycles, highlighting the subtleties of the conformation-property relationship in this class of molecules.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Amine Kriat, Simon Pascal, Brice Kauffmann, Yann Ferrand, David Berge-Lefranc, Didier Gigmes, Olivier Siri, Anthony Kermagoret, David Bardelang
Summary: The binding modes of CB[7] to Viologen-Phenylene-Imidazole (VPI) guest were investigated by NMR, ITC, X-ray diffraction, UV-vis and fluorescence spectroscopies after adding hydrophobic groups on the two extremities of VPI. The results showed that CB[7] preferred to bind to the extended imidazole station (VPI-N) similar to the previously observed binding modes. However, when the viologen was extended by a tolyl group (T-VPI), CB[7] shuttled between the T and P stations at acid pH or after Ag+ addition. The CB[7]·T-VPI complex exhibited a metal-actuated thermodynamic stop-and-go molecular shuttle behavior controlled by Ag+ concentration.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Constance Lecourt, Yan Suffren, Erwann Jeanneau, Dominique Luneau, Cedric Desroches
Summary: Three manganese(II) coordination compounds with ppThiaSO(2) ligand were synthesized and their electronic emission spectra in the solid state were studied. Compound 1, along with compounds 2, 3a and 3b, exhibited luminescent properties under UV excitation wavelength. The luminescence was attributed to the d-d transition of manganese(II) and depended on the coordination of the metal center, the conformation of the macrocycle and the structural packing. The emission quenching was found to be influenced by the presence of molecular dioxygen.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Paulina Jurek, Hanna Jedrzejewska, Michal F. Rode, Agnieszka Szumna
Summary: This study designed and synthesized core-fluorescent cavitands based on 2-(2'-resorcinol)benzimidazole fluorophores merged with the resorcin[4]arene skeleton. The cavitands exhibit excited state intramolecular proton transfer (ESIPT) and readily undergo deprotonation to form dianionic cavitands that can strongly bind to organic cations.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Songtao Ye, Han Zhang, Jinyu Fei, Charles H. Wolstenholme, Xin Zhang
Summary: By chemically installing extended pi-rich alternating carbon-carbon linkages between the rotational electron donors and acceptors of RBFs, the lack of control of their viscosity sensitivity has been resolved. The length of the linkage strongly influences the viscosity sensitivity, providing the possibility to design RBFs with different viscosity sensitivities. RBFs can differentiate misfolded protein oligomers and insoluble aggregates in test tubes and live cells through a dual-color imaging strategy.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Zezhou Zong, Qi Zhang, Shu-Hai Qiu, Qian Wang, Chengxi Zhao, Cai-Xin Zhao, He Tian, Da-Hui Qu
Summary: Dynamic control over molecular emission is achieved through time-encoded locking and unlocking of individual vibrational emissive units, allowing for the development of dynamic multicolor fluorescent systems. The emission wavelength and lifetime can be readily controlled by adding chemical fuels, providing a robust and versatile way to modulate multi-color molecular emission in a time-dependent manner.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Xu-Sheng Du, Xiao-Ni Han, Ying Han, Chuan-Feng Chen
Summary: In this study, a pair of inherently chiral belt-shaped conjugated macrocycles were conveniently synthesized from 2,7-fluoren[3]arene triflate. They exhibited green fluorescence and showed circularly polarized luminescence with a |g(lum)| value of 2.0 x 10(-3).
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Kaivin Hadidi, Kfir B. Steinbuch, Lara E. Dozier, Gentry N. Patrick, Yitzhak Tor
Summary: Puromycin derivatives modified with azetidine and 3,3-difluoroazetidine exhibit translation inhibition and bactericidal activity similar to natural antibiotic. These analogues can puromycylate nascent peptides, generating emissive products without follow-up chemistry. The 3,3-difluoroazetidine-containing analogue can fluorescently label newly translated peptides and be visualized in live and fixed cells.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Gana Sanil, Maciej Krzeszewski, Wojciech Chaladaj, Witold Danikiewicz, Iryna Knysh, Lukasz Dobrzycki, Olga Staszewska-Krajewska, Michal K. Cyranski, Denis Jacquemin, Daniel T. Gryko
Summary: This study presents the tandem intramolecular hydroarylation of alkynes accompanied by a 1,2-aryl shift. By utilizing the unique electron-rich character of the 1,4-dihydropyrrolo[3,2-b]pyrrole scaffold, pi-expanded, centrosymmetric pyrrolo[3,2-b]pyrroles were synthesized by reacting alkynes at the already occupied positions 2 and 5. The reaction only proceeds in the presence of cationic gold catalyst and produces unknown compounds with six conjugated rings. These synthesized compounds have potential applications in the creation of new materials with various functionalities.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Chemistry, Inorganic & Nuclear
Gitanjali Jindal, Navneet Kaur
Summary: Compounds containing heteroatoms and their derivatives are important in organic chemistry, with N-heterocycles commonly used as recognition units for optical sensors and in biological applications. Pyrimidine derivatives are suitable for sensing materials and have various biological and medicinal applications, thanks to their ability to form coordination and hydrogen bonds. This review covers various pyrimidine-based optical sensors from 2005 to 2020.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Chemistry, Organic
Shubham Tiwari, Avisikta Sinha, Mangalampalli Ravikanth
Summary: Condensation reaction of dibenzofuran based tripyrrane with dipyrroethene diol under acid catalyzed conditions resulted in the formation of dibenzofuran embedded calix pentaphyrins with two meso-sp(3) carbons instead of fully conjugated dibenzofuran embedded pentaphyrins.
ASIAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Lazhar Zribi, Lhassane Ismaili, Luis F. Vieira-Ferreira, Isabel L. Ferreira-Machado, Jose Marco-Contelles, Fakher Chabchoub
Summary: The synthesis of (E)-3-aryl-2-(5-aryl-4H-1,2,4-triazol-3-yl)acrylonitriles and their fluorescence properties were reported for the first time in this study. A plausible reaction mechanism was proposed to explain the stereospecific formation of the E-isomers of the compounds. Fluorescence analysis revealed relatively low fluorescence emission quantum yields ranging from 1 to 10%, depending on the nature of the substituents.
Article
Chemistry, Physical
Alexander Mikhaylov, Ryan N. Wilson, Kristen M. Parzuchowski, Michael D. Mazurek, Charles H. Camp, Martin J. Stevens, Ralph Jimenez
Summary: The research found that a signal similar to entangled two-photon absorption (E2PA) can be observed under the hot-band absorption (HBA) mechanism. Under typical conditions for E2PA measurements, contributions from the HBA process could lead to an overestimation of the quantum advantage by several orders of magnitude.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Organic
Jannis Volkmann, Daniel Kohrs, Felix Bernt, Hermann A. Wegner
Summary: We report the synthesis and investigation of a substituted [10]cycloparaphenylene (CPP) incorporating a diethylphthalane unit. An efficient strategy based on symmetric built-up starting with propargyl ether was developed for the synthesis. The straightforward synthesis required overcoming unexpected obstacles within the [2 + 2 + 2] cycloaddition, protection, and aromatization. The results provide insights for accessing CPPs with highly substituted subunits. A seven-step synthesis with an overall yield of 8% was used to obtain the target nanoring, including good to excellent yields for the critical macrocyclization and aromatization. The synthesized nanohoop exhibits a hypsochromic shift compared to the unsubstituted [10]CPP, possibly due to an increased torsion angle between the bivalent substituted phenyl moieties and the adjacent units.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Min Peng, Yi Luo, Yutao Rao, Jianxin Song, Xin-Long Ni
Summary: This study reports a host-guest interaction-controlled photoproduct created by using Q[7]-based pseudorotaxane structures. The assembly exhibits controlled behavior towards the reduction of the C=C bond in the TPyE guest molecule under UV light irradiation, attributed to the Q[7] encapsulation masking the four pyridinium arms of the guest, inhibiting planarization of the TPyE core.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Multidisciplinary Sciences
Dalvin D. Mendez-Hernandez, Amgalanbaatar Baldansuren, Vidmantas Kalendra, Philip Charles, Brian Mark, William Marshall, Brian Molnar, Thomas A. Moore, K. V. Lakshmi, Ana L. Moore
Article
Chemistry, Multidisciplinary
Addison N. Desnoyer, Amelie Nicolay, Micah S. Ziegler, K. Lakshmi, Thomas R. Cundari, T. Don Tilley
Summary: A new dicopper nitrenoid complex was prepared by formal oxidative addition of the nitrenoid fragment to a dicopper(I) center, showing powerful H atom abstraction ability and achieving clean H atom transfer process.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Editorial Material
Biochemistry & Molecular Biology
Dror E. Warschawski, K. V. Lakshmi, Isabelle Marcotte
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2021)
Article
Chemistry, Multidisciplinary
Ke R. Yang, K. Lakshmi, Gary W. Brudvig, Victor S. Batista
Summary: By performing quantum mechanics/molecular mechanics calculations and comparing with experimental data, it was found that the proton in the oxygen-evolving complex is shared by the water-derived ligand and the D1-D61 residue, forming a low-barrier hydrogen bond which facilitates the necessary step for oxygen evolution.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Vidmantas Kalendra, Krystle M. Reiss, Gourab Banerjee, Ipsita Ghosh, Amgalanbaatar Baldansuren, Victor S. Batista, Gary W. Brudvig, K. Lakshmi
Summary: This study investigates the binding of a substrate analog, methanol, in the S-2 state of the D1-N87A variant of photosystem II (PSII) using two-dimensional hyperfine sublevel correlation spectroscopy, quantum mechanics/molecular mechanics (QM/MM), and density functional theory (DFT). The results reveal alterations in the size and specificity of the narrow channel in D1-N87A PSII, enabling the binding of deprotonated C-13-labeled methanol at the Mn4(iv) ion of the catalytic cluster in the S-2 state. This has significant implications for understanding the mechanistic models of water oxidation in PSII.
FARADAY DISCUSSIONS
(2022)
Review
Microbiology
Michael Gorka, Amgalanbaatar Baldansuren, Amanda Malnati, Elijah Gruszecki, John H. Golbeck, K. V. Lakshmi
Summary: Chlorophylls play crucial roles in photosynthesis processes, and recent advancements in experimental methodologies and computational modeling have shed light on their electronic properties and functions, contributing to a better understanding of primary charge separation and electron transfer processes in reaction centers.
FRONTIERS IN MICROBIOLOGY
(2021)
Article
Chemistry, Inorganic & Nuclear
Philip Charles, Mallory E. Gaspard, Santiago Alvarez, Micah S. Ziegler, Amgalanbaatar Baldansuren, William H. Armstrong, K. Lakshmi, Peter J. Bonitatibus
Summary: This article reports the synthesis and structure of the most highly distorted four-coordinate d(3) ion known to date, which also serves as the second known example of a bis(biphenolato) transition metal complex. The application of density functional theory is demonstrated for calculating the magnetic parameters derived from the experimental and simulated EPR spectra.
DALTON TRANSACTIONS
(2022)
Meeting Abstract
Biophysics
Michael J. Gorka, Amgalanbaatar Baldansuren, Amanda Malnati, Elijah Gruszecki, John H. Golbeck, K. V. Lakshmi
BIOPHYSICAL JOURNAL
(2022)
Meeting Abstract
Biophysics
Michael J. Gorka, Philip Charles, K. V. Lakshmi, John H. Golbeck
BIOPHYSICAL JOURNAL
(2021)
Meeting Abstract
Biophysics
K. V. Lakshmi, Dalvin D. Mendez-Hernandez, Amgalanbaatar Baldansuren, Vidmantas Kalendra, Philip Charles, Brian Mark, William Marshall, Brian Molnar, Thomas A. Moore, Ana L. Moore
BIOPHYSICAL JOURNAL
(2021)
Meeting Abstract
Biophysics
Brian Mark, Christopher S. Coates, Sawako Sugimura, Amgalanbataar Baldansuren, Richard J. Debus, K. V. Lakshmi
BIOPHYSICAL JOURNAL
(2021)
Article
Chemistry, Physical
Philip Charles, Vidmantas Kalendra, Zhihui He, Mohammad Hassan Khatami, John H. Golbeck, Art van der Est, K. Lakshmi, Donald A. Bryant
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Meeting Abstract
Biophysics
K. V. Lakshmi, Vidmantas Kalendra, Gourab Banerjee, Ipsita Ghosh, Ke Yang, Victor S. Batista, Gary W. Brudvig
BIOPHYSICAL JOURNAL
(2020)
Correction
Chemistry, Physical
Jun Chai, Zhaoyang Zheng, Hui Pan, Shengbai Zhang, K. V. Lakshmi, Yi-Yang Sun
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Jun Chai, Zhaoyang Zheng, Hui Pan, Shengbai Zhang, K. V. Lakshmi, Yi-Yang Sun
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
