Article
Chemistry, Multidisciplinary
Zhen Wu, Shuangshuang Wang, Zilin Zhang, Yanjun Zhang, Yanzhen Yin, Haixin Shi, Shufei Jiao
Summary: Solvents play a crucial role in regulating the shuttle of rotaxanes and their molecular machine functions. The study demonstrated that the polarity and hydrogen bond-forming ability of solvents are the main factors affecting the shuttling rate of crown ether/amino rotaxanes, with the axle adopting S-shaped conformations during shuttle at amino sites.
Article
Chemistry, Physical
Hui Ma, Dan Luo, Qi Zhao, Rui Liu, Zhenzhou Zhang, Xianglin Hou, Xiaohuan Sun, Yingxiong Wang
Summary: Diffusion-ordered spectroscopy (DOSY) is an efficient technique for analyzing complex mixtures, but often struggles to separate positional isomers. The use of 18C6 and 18C6/K+ complex as matrices can effectively discriminate and identify positional isomeric mixtures, demonstrating superior performance in interacting with different components.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Maxime Gauthier, Frederic Coutrot
Summary: This study synthesized new pH-sensitive [2]rotaxane molecular shuttles and found that the Weinreb amide was not a suitable secondary molecular station for DB24C8, while the ketone was successfully used for this purpose.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Physical
Petko Ivanov
Summary: The study examined the preferred conformations of several aromatic crown ether macrocycles and found that they have preformed cavities for substrates or potential for allowing molecular component threading. Vibrational entropy can affect the conformational arrangement in some cases.
COMPUTATIONAL AND THEORETICAL CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Manisha Prakashni, Suvankar Dasgupta
Summary: A bistable [2]rotaxane with dibenzylammonium/methyl triazolium stations and [23]crown ether wheel component was obtained in high yield. The crown ether X23C7 predominantly occupies the DBA(+) station in the bistable [2]rotaxane. Addition of base facilitates the shuttle of X23C7 to the MTA(+) station, while acid treatment restores X23C7 back to the DBA(+) station. This reversible behavior leads to a pH-responsive molecular switch, the first of its kind for a [23]crown ether-based mechanically interlocked molecule.
Article
Chemistry, Organic
Manisha Prakashni, Rasendra Shukla, Suvankar Dasgupta
Summary: A facile, rapid, and high yield synthesis of [23]crown ether (X23C7) has been developed from commercially available starting materials in one step with good to excellent yield. The X23C7 macrocycle formed strong association with a dibenzylammonium ion (DBA(+)), leading to the synthesis of a high yield [2]catenane using a threading-followed-ring-closing-metathesis approach. The reaction was completed in 6 hours under room temperature conditions, with the highest yield reaching 81%.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Xiaoqing Dou, Xiao-Hui Liu, Bin Wang, Yue-Sheng Li
Summary: This study demonstrates the potential of potassium acetate (KOAc) and 18-crown-6 (18-C-6) combination in the synthesis of polyester polyols with controllable molecular weight and high-end group fidelity. Compared to using KOAc alone, the KOAc/18-C-6 pair induces a faster chain transfer reaction, resulting in polyester polyols with narrow and monomodal distribution.
CHINESE JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Ghazale Gholami, Kelong Zhu, Giorgio Baggi, Eduardo Schott, Ximena Zarate, Stephen J. Loeb
Article
Chemistry, Multidisciplinary
Kelong Zhu, Giorgio Baggi, V. Nicholas Vukotic, Stephen J. Loeb
Article
Chemistry, Multidisciplinary
Kelong Zhu, Giorgio Baggi, Stephen J. Loeb
Article
Chemistry, Multidisciplinary
Jared M. Taylor, Patrick J. Dwyer, Joel W. Reid, Benjamin S. Gelfand, Dae-woon Lim, Masaki Donoshita, Stanislav L. Veinberg, Hiroshi Kitagawa, V. Nicholas Vukotic, George K. H. Shimizu
Article
Chemistry, Organic
Sarah J. Vella, Stephen J. Loeb
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY
(2018)
Article
Chemistry, Multidisciplinary
Pablo Martinez-Bulit, Christopher A. O'Keefe, Kelong Zhu, Robert W. Schurko, Stephen J. Loeb
CRYSTAL GROWTH & DESIGN
(2019)
Article
Chemistry, Physical
Eva Meirovitch, Zhichun Liang, Robert W. Schurko, Stephen J. Loeb, Jack H. Freed
Summary: The application of the microscopic-order-macroscopic-disorder (MOMD) approach for analyzing dynamic H-2 NMR lineshapes in metal-organic frameworks (MOFs) is described in this study. By comparing the experimental results of UiO-68-d(4) and UWDM-9-d(4), it is found that MOFs with different structures exhibit different dynamic characteristics, and the phenyl-d(4) dynamics is more isotropic in a more crowded environment.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Chemistry, Multidisciplinary
Ayan Dhara, Anton Dmitrienko, Rahaf N. N. Hussein, Ariel Sotomayor, Benjamin H. H. Wilson, Stephen J. J. Loeb
Summary: A rigid H-shaped [2]rotaxane molecular shuttle was synthesized, which consists of an axle containing benzimidazole recognition sites and a central bipyridyl group interlocked with a 24-crown-8 wheel. The central bipy unit acts as a speed bump that raises the barrier to shuttling for the [2]rotaxane. Coordination of a PtCl2 moiety to the bipy unit creates a steric barrier to shuttling, while addition of Zn(II) ions allows shuttling to occur through a ligand exchange mechanism.
Article
Chemistry, Multidisciplinary
Giorgio Baggi, Benjamin H. Wilson, Ayan Dhara, Christopher A. O'Keefe, Robert W. Schurko, Stephen J. Loeb
Summary: An H-shaped [2]rotaxane composed of a bis(benzimidazole) axle and a 24-membered crown ether wheel with four trityl groups forms a highly crystalline material allowing large amplitude motion of the interlocked macrocycle, characterized using variable-temperature (VT) H-2 solid-state nuclear magnetic resonance (SSNMR).
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Benjamin H. Wilson, Louae M. Abdulla, Robert W. Schurko, Stephen J. Loeb
Summary: In this study, a new [2]rotaxane molecular shuttle linker based on the binding of a 24-crown-8 ether macrocycle at a benzimidazole recognition site was synthesised and characterised. The translational motion of the molecular shuttle was studied both in solution and in the solid state. Incorporation of mesitylene into the pores of UWDM-11 was found to significantly increase the barrier for thermally driven translation of the macrocycle.
Article
Chemistry, Physical
Ghazale Gholami, Benjamin H. Wilson, Kelong Zhu, Christopher A. O'Keefe, Robert W. Schurko, Stephen J. Loeb
Summary: Two Zr(IV) metal-organic frameworks (MOFs) were studied, incorporating a new H-shaped tetracarboxylate linker with [2]rotaxane molecular shuttles. Solid-state NMR and solution NMR spectra confirmed the successful incorporation of the [2]rotaxanes, while the study found that the structure of the linker affects the shuttling rate of the macrocyclic ring.
FARADAY DISCUSSIONS
(2021)
Article
Chemistry, Organic
Pablo Martinez-Bulit, Benjamin H. Wilson, Stephen J. Loeb
ORGANIC & BIOMOLECULAR CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Giorgio Baggi, Lorenzo Casimiro, Massimo Baroncini, Serena Silvi, Alberto Credi, Stephen J. Loeb
Article
Chemistry, Multidisciplinary
V. Nicholas Vukotic, Kelong Zhu, Giorgio Baggi, Stephen J. Loeb
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2017)
Article
Chemistry, Multidisciplinary
Alexander M. Prophet, Kritanjan Polley, Gary J. Van Berkel, David T. Limmer, Kevin R. Wilson
Summary: The oxidation kinetics of iodide by ozone at the air-water interface is studied in single microdroplets. Molecular simulations and kinetic modeling are used to understand the underlying multiphase mechanism.
Article
Chemistry, Multidisciplinary
Rong Zhang, Jiajing Lan, Fei Wang, Shumei Chen, Jian Zhang
Summary: By utilizing 1,1'-ferrocene dicarboxylic acid as a chelating and surface protection ligand, we have synthesized multi-nuclear indium oxide clusters with varying nuclear sizes, including heptanuclear and thirteen-nuclear clusters. These clusters possess labile coordination sites, allowing for structural modification and self-assembly, resulting in the formation of various cluster structures.
Article
Chemistry, Multidisciplinary
Hui Wang, Hui Liu, Mingsen Wang, Jiaheng Hou, Yongjun Li, Yuancheng Wang, Yingjie Zhao
Summary: Two supramolecular complexes were prepared using CBs and M1, and their single-crystal structures were analyzed by SCXRD. The unexpected 1:2 self-assembly structure between M1 and CB[8] was discovered for the first time. These complexes exhibit unique photophysical properties and provide valuable information about the structure and photophysical properties of supramolecular complexes.
Article
Chemistry, Multidisciplinary
Chang-Hee Lee, Sookil Park, Sanggil Kim, Ji Young Hyun, Hyun Soo Lee, Injae Shin
Summary: The epidermal growth factor receptor (EGFR) is a cell-surface glycoprotein involved in cell proliferation and tumor development. This study used a fluorescently labeled EGFR to investigate its time-dependent endocytosis in live cells and found that appended glycans affect EGFR internalization. Additionally, the study detected sialic acid residues attached to EGFR on the live cell surface using FRET-based imaging. This research provides valuable insights into the cellular functions of EGFR.
Article
Chemistry, Multidisciplinary
Subhankar Sahu, Lokesh Kumar, Sumita Das, Dipti Gupta, Ruchi Anand
Summary: This study proposes a strategy that combines organic electronics with biosensor scaffolds to create a compact device for monitoring environmental aromatic pollution. By coupling biosensing protein MopR with an organic electrochemical transistor (OECT), a sensor module capable of efficient detection of phenol was designed. Exclusive phenol detection with minimal loss of sensitivity could be achieved in complex pollutant mixtures and real environmental samples.
Review
Chemistry, Multidisciplinary
Changseok Lee, Hyung-Joon Kang, Sungwoo Hong
Summary: The formation of C-N bonds through hydroamination reactions catalyzed by nickel hydrides has been a topic of recent interest. This approach offers a way to efficiently transform a variety of alkene and alkyne substrates into compounds enriched with C-N bonds. The review provides a concise overview of the underlying reaction mechanisms and aims to stimulate further progress in NiH-catalytic techniques and catalyst design.
Article
Chemistry, Multidisciplinary
Yueci Wu, Lu-Lu Sun, Hai-Hao Han, Xiao-Peng He, Weiguo Cao, Tony D. James
Summary: Drug-induced liver injury (DILI) is a common cause of acute liver failure in the USA and Europe, but most cases can be recovered or prevented by discontinuing the offending drug. Recent research has found that peroxynitrite (ONOO-) can be used as a potential indicator for early diagnosis of DILI, and there is an urgent need to establish a method to detect and track peroxynitrite in DILI cases. In this study, a FRET-based nano fluorescent probe CD-N-I was developed, which showed high selectivity and sensitivity in detecting peroxynitrite. The probe successfully detected exogenous peroxynitrite in live cells and endogenous peroxynitrite in APAP-induced liver injury of HepG2 cells.
Article
Chemistry, Multidisciplinary
Dmitry L. Lipilin, Mikhail O. Zubkov, Mikhail D. Kosobokov, Alexander D. Dilman
Summary: This article describes a direct photocatalytic method for the thiolation of unprotected acids, which was previously challenging. By using a thionocarbonate reagent with an N-O bond, the efficient conversion of carboxylic acids to thiols is achieved.
Article
Chemistry, Multidisciplinary
Jason Malenfant, Lucille Kuster, Yohann Gagne, Kouassi Signo, Maxime Denis, Sylvain Canesi, Mathieu Frenette
Summary: Raman microscopy can reveal compound-specific vibrational fingerprints without sample preparation. The combination of efficient theoretical calculations and a user-friendly software can accurately predict peak positions and provide match scores to assist with structure determination.
Article
Chemistry, Multidisciplinary
Jayoh A. Hernandez, Paul S. Micus, Sean Alec Lois Sunga, Luca Mazzei, Stefano Ciurli, Gabriele Meloni
Summary: Essential trace metals play crucial roles in the survival and virulence of bacterial pathogens. Helicobacter pylori requires nickel for colonization and persistence in the stomach, and NixA is an essential nickel transporter in this process. This study characterizes the selectivity and electrogenic nature of NixA-mediated nickel transport.
Article
Chemistry, Multidisciplinary
Tarali Devi, Kuheli Dutta, Jennifer Deutscher, Stefan Mebs, Uwe Kuhlmann, Michael Haumann, Beatrice Cula, Holger Dau, Peter Hildebrandt, Kallol Ray
Summary: This study emphasizes the importance of subtle electronic changes and secondary interactions in the stability of biologically relevant metal-dioxygen intermediates. It also shows that the role of the chloride ligand in stabilizing the Fe-III-(OOBu)-Bu-t moiety can extend to other anions, including the thiolate ligand.
Article
Chemistry, Multidisciplinary
Jacqueline R. Santhouse, Jeremy M. G. Leung, Lillian T. Chong, W. Seth Horne
Summary: By studying the folding kinetics and mechanism of the BdpA sequence, researchers found that altering the backbone connectivity can affect protein folding. This suggests that protein mimetic chains have a significant degree of plasticity in transitioning between unfolded and folded states.
Article
Chemistry, Multidisciplinary
Divanshu Gupta, Ralf Einholz, Holger F. Bettinger
Summary: This study presents the first direct spectroscopic evidence of a cyclic seven-membered iminoborane. Compared to linear amino-iminoboranes, this cyclic iminoborane exhibits weakened bond strength and lower Lewis acidity value. The study suggests that the reduced ring strain of cyclic iminoborane prevents nitrogen fixation but allows facile (2 + 2) cycloaddition reaction with C2H4.
Article
Chemistry, Multidisciplinary
Renny Mathew, Aniruddha Mazumder, Praveen Kumar, Julie Matula, Sharmarke Mohamed, Petr Brazda, Mahesh Hariharan, Brijith Thomas
Summary: This study reveals the packing arrangement of partially disordered nitro-perylenediimide (NO2-PDI) using a synergistic approach that combines 3D ED, ssNMR, and DFT techniques. By overcoming these challenges, this methodology opens up new avenues for material characterization, driving exciting advancements in the field.
