Article
Chemistry, Inorganic & Nuclear
Jun-Qiang Chen, Hai-Xia Zhang, Zhi-Run Wang, Qin-Long Hong, Jian Zhang
Summary: In this study, a new MOC cage with a unique trigonal bipyramidal configuration was reported, which was constructed by the combination effects of coordination bonds and π-π interactions. The cage structure could be modulated by the metal centers, leading to diverse coordination environments and optical properties.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Inorganic & Nuclear
Jiong Yang, Mao-Lin You, Shihao Liu, Yi-Fei Deng, Xiao-Yong Chang, Stephen M. Holmes, Yuan-Zhu Zhang
Summary: In this study, two new rope-like chain compounds with cyanometallate features were successfully synthesized. The compounds exhibited interesting magnetic properties and behaviors, leading to potential applications in the field of magnetism.
INORGANIC CHEMISTRY
(2023)
Article
Engineering, Electrical & Electronic
Jian Sun, Xiangkun Li, Yundou Xu, Tianyue Pu, Jiantao Yao, Yongsheng Zhao
Summary: This study designs a morphing wing consisting of a stable tensegrity structure and a parallel mechanism, which can perform smooth and continuous local and global morphing while maintaining high stiffness and large bearing capacity.
Article
Materials Science, Multidisciplinary
Mas A. Subramanian, Jun Li
Summary: Materials with various colors influence human feelings and the color of a material is determined by its interaction with visible light. Transition metal cations resonate with frequencies in the visible range and coordination environment affects the intensity of the color. Predicting the color of inorganic solids is still challenging, and serendipitous discoveries have played a significant role in important commercial pigments and dyes.
MATERIALS TODAY ADVANCES
(2022)
Article
Neurosciences
Jingjia Chen, Nan-Jie Gong, Khallil Taverna Chaim, Maria Concepcion Garcia Otaduy, Chunlei Liu
Summary: DECOMPOSE-QSM method is developed to decompose bulk susceptibility measured with QSM into sub-voxel paramagnetic and diamagnetic components based on a three-pool complex signal model. By solving for linear and nonlinear parameters in the model, Paramagnetic component susceptibility (PCS) and diamagnetic component susceptibility (DCS) maps are constructed to represent the sub-voxel compartments, showing visually enhanced contrast between brain structures comparing to threshold QSM in initial in vivo investigation of human brain images.
Article
Chemistry, Inorganic & Nuclear
Adriana Lugosan, Sophi R. Todtz, Andrew Alcazar, Matthias Zeller, James J. Devery, Wei-Tsung Lee
Summary: A series of air-stable trigonal bipyramidal Fe-III complexes supported by a redox non-innocent NNN pincer ligand were synthesized and characterized, with investigations on the interaction between acetone and the Fe-III center. The results revealed the presence of a high-spin ferric center and showed two quasi-reversible events in cyclic voltammetry studies. UV-Visible spectroscopy demonstrated ligand-metal charge transfer bands and coordination of acetone to the iron center.
Article
Biochemistry & Molecular Biology
Alfonso Annunziata, Davide Liberti, Emiliano Bedini, Maria Elena Cucciolito, Domenico Loreto, Daria Maria Monti, Antonello Merlino, Francesco Ruffo
Summary: This article investigates the synthesis, characterization, and biological activity of novel square-planar cationic platinum(II) complexes, comparing them with corresponding five-coordinate complexes bearing the same triazole ligands. The results show that the square-planar species exhibit greater stability and certain selectivity compared to the five-coordinate ones.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Multidisciplinary
Philipp Dabringhaus, Silja Zedlitz, Luisa Giarrana, David Scheschkewitz, Ingo Krossing
Summary: Schnockel's [(AlCp*)(4)] and Jutzi's [SiCp*][B(C6F5)(4)] are important in modern main-group chemistry with various applications in synthesis and catalysis. However, the reactivity between AlCp* and [SiCp*](+) has not been explored. In this study, their reaction was investigated and complex salts [Cp*Si(AlCp*)(3)][WCA] were obtained. The tetrahedral [SiAl3](+) core not only represents a rare example of a low-valent silicon-doped aluminium-cluster, but also provides a convenient preparative entry towards low-valent Si-Al clusters.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Xionglin Zhou, Jiongzhao Li, Xudong Qian, Jie Zhu, Xueqian Kong, Xiaogang Peng
Summary: The formation of hexagonal and cubic CdSe nanocrystals is determined by stacking faults and facet-ligand pairing. During growth, the nanocrystals go through two stages and the final size is around 3 nm.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Sangita Sen, Erik Tellgren
Summary: This article explores correlated studies on a test set of 36 small molecules using both wavefunction and density functional methods. The research focuses on the effect of correlation on exotic response properties and benchmarks the performance of density functional approximations against CCSD and/or MP2. A more detailed classification of molecular systems based on their response to generally nonuniform magnetic fields is proposed, with consideration given to the relation of orientation to different qualitative responses.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Chemistry, Multidisciplinary
Hai-Yu Duan, Xiu-Yuan Li, Chen-Xu Zhang, Chaozheng He
Summary: A unique trigonal bipyramidal cage-based MOF was synthesized, which can selectively capture and separate different molecules, particularly with significant effects on the capture and separation of CO2 and C2 hydrocarbons.
Review
Chemistry, Inorganic & Nuclear
Kazuhiro Uemura, Atsushi Takamori
Summary: This review presents 10 examples of heterometallic 1D chain complexes where paramagnetic species are linked to diamagnetic metals through metal-metal bonds. These complexes exhibit strong antiferromagnetic interactions, which are stronger than those found in organic molecules or molecules with halide bridges.
COORDINATION CHEMISTRY REVIEWS
(2022)
Article
Chemistry, Inorganic & Nuclear
You-Song Ding, William J. A. Blackmore, Yuan-Qi Zhai, Marcus J. Giansiracusa, Daniel Reta, Inigo Vitorica-Yrezabal, Richard E. P. Winpenny, Nicholas F. Chilton, Yan-Zhen Zheng
Summary: The hexagonal-bipyramidal lanthanide(III) complex exhibits an energy barrier for magnetization reversal of about 1000 K in zero direct-current field. Temperature-dependent X-ray diffraction studies reveal bending of the Cl-Ln-(OBu)-Bu-t angle at low temperature. Ab initio calculations show that significant bending of the O-Dy-Cl angle upon cooling leads to a decrease in the energy of the excited electronic states. The magnetic relaxation rate is influenced by multiple mechanisms such as Orbach, Raman-I, quantum tunnelling of magnetization, and Raman-II.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Brent Lindquist-Kleissler, Monica Weng, Pierre Le Magueres, Graham N. George, Timothy C. Johnstone
Summary: This study revealed that pentaphenylantimony (SbPh5) actually adopts a VSEPR-compliant trigonal bipyramidal geometry in solution, contrary to the previously assumed square pyramidal geometry. The use of Sb X-ray absorption spectroscopy (XAS) confirmed this finding and provided insight into the spectroscopic features through time-dependent density functional theory calculations.
INORGANIC CHEMISTRY
(2021)
Review
Chemistry, Inorganic & Nuclear
Demei Sun, Xuesong Feng, Xinyuan Zhu, Youfu Wang, Jinghui Yang
Summary: Metal organic cages (MOCs) with precise and tunable nano structures show great potential in cancer therapy. Their diverse functions and ultrasmall size make them excellent nanoagents for different anticancer strategies, demonstrating outstanding anticancer performances.
COORDINATION CHEMISTRY REVIEWS
(2024)
Article
Chemistry, Multidisciplinary
Marjan Hosseinzadeh, Sergio Sanz, Jan van Leusen, Natalya V. Izarova, Euan K. Brechin, Scott J. Dalgarno, Paul Koegerler
Summary: Phosphate ester bonds are stable in nature and can be isolated using a combination of phosphoryl and calix[4]arene moieties. In this study, hydrolyzed phosphoryl-calix[4]arene ligands were formed through Ln(III)-mediated P-OEt bond cleavage in L-PO. The resulting Ln(III) species were trapped as dimers, and the Dy derivative exhibited slow magnetization relaxation. This strategy can be further applied to create a broader range of hydrolyzed platforms that mimic nuclease enzymes.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Enrico Podda, Massimiliano Arca, Anna Pintus, Vito Lippolis, Claudia Caltagirone, Simon J. Coles, James B. Orton, Guido Ennas, Giacomo Picci, Robert P. Davies, M. Carla Aragoni
Summary: A novel butterfly-shaped tetracarboxylic acid, H4L, with a co-facial bifluorene core was synthesized and reacted with Cd-II to produce luminescent supramolecular frameworks 2 and 3 with different dimensionalities and wingspans. The solid-state emission properties were explained by the torsional dynamics of the facing bifluorene units through X-ray diffraction analysis and TD-DFT calculations.
Article
Chemistry, Inorganic & Nuclear
Gabrielle Audsley, Harry Carpenter, Nsikak B. Essien, James Lai-Morrice, Youssra Al-Hilaly, Louise C. Serpell, Geoffrey R. Akien, Graham J. Tizzard, Simon J. Coles, Cristina Pubill Ulldemolins, George E. Kostakis
Summary: Two propeller-shaped chiral CoIII3YIII complexes synthesized using fluorinated ligands were characterized by various techniques. These complexes were found to have sensing and discrimination abilities, which allowed for the development of an innovative 19F NMR chemosensory system. Control experiments and theoretical studies provided insights into the sensing mechanism, and the limitations of this method were discussed.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Organic
Wojciech Stawski, Jeff M. Van Raden, Connor W. Patrick, Peter N. Horton, Simon J. Coles, Harry L. Anderson
Summary: V-shaped porphyrin dimers with masked p-phenylene bridges undergo efficient oxidative coupling to form cyclic porphyrin oligomers. Reductive aromatization unmasks the p-phenylenes, increasing the strain. Oxidation then fuses the porphyrin dimers, providing a nanoring with curved walls.
Article
Chemistry, Multidisciplinary
Euan K. Brechin, Jurgen Schnack, Marco Evangelisti, Constantinos J. Milios, Thomais G. Tziotzi, David Gracia, Scott J. Dalgarno
Summary: Reaction of Gd(OAc)3 center dot 4H2O, salicylaldehyde, and CH3ONa in MeCN/MeOH leads to the formation of [Gd12Na6(OAc)25(HCO2)5(CO3)6(H2O)12]center dot 9H2O.0.5MeCN (1 center dot 9H2O.0.5MeCN), which exhibits a quadruple-wheel structure composed of two {Na3} and two {Gd6} rings. The magnetic properties of 1 show weak antiferromagnetic interactions between GdIII ions, resulting in a record magnetocaloric effect at low magnetic fields and temperatures. The magnetic entropy change reaches -Delta Sm= 29.3 J kg-1 K-1 for full demagnetization from B = 1 T at T = 0.5 K.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Biochemistry & Molecular Biology
Miriam Jackson, Simon D. Thomas, Graham J. Tizzard, Simon J. Coles, Gareth R. Owen
Summary: This article focuses on the synthesis and characterization of a series of complexes containing scorpionate ligands based on borates with the 7-azaindole heterocycle, and investigates their coordination chemistry with copper(I) and copper(II). The copper(I) and copper(II) complexes were characterized using spectroscopic and analytical methods, and crystal structures were obtained for eight of the nine complexes. The boron-based ligand in all complexes was found to coordinate to the metal centers via a kappa(3)-N,N,H mode.
Article
Biochemistry & Molecular Biology
Michael A. A. Beckett, Simon J. J. Coles, Peter N. N. Horton, Thomas A. A. Rixon
Summary: The synthesis and characterization of six new substituted guanidium tetrahydroxidohexaoxidopentaborate(1-) salts are reported. The compounds were prepared as crystalline salts from basic aqueous solution via self-assembly processes and characterized by spectroscopic and XRD studies. Reactant stoichiometry, solid-state packing, and H-bonding interactions are all important in assembling these structures.
Article
Biochemistry & Molecular Biology
Anna Pintus, M. Carla Aragoni, Gianfranco Carcangiu, Veronica Caria, Simon J. Coles, Eleanor Dodd, Laura Giacopetti, Domingo Gimeno, Vito Lippolis, Paola Meloni, Simone Murgia, Antonia Navarro Ezquerra, Enrico Podda, Claudia Urru, Massimiliano Arca
Summary: AmPicOxam was synthesized and characterized as a novel precursor for the protection and consolidation of carbonate stone substrates. The treatment with AmPicOxam resulted in the formation of a thicker protective coating on marble and biomicrite samples, reducing stone porosity and increasing cohesion. The hydrolysis reaction from AmPicOxam to CaOx was investigated through theoretical calculations.
Article
Chemistry, Multidisciplinary
Qiang Chen, Amber L. Thompson, Kirsten E. Christensen, Peter N. Horton, Simon J. Coles, Harry L. Anderson
Summary: In this study, unprecedented β,β-directly linked cyclic zinc porphyrin oligomers, the trimer (CP3) and tetramer (CP4), were synthesized and their three-dimensional structures were confirmed. The different geometries of CP3 and CP4 result in distinct photophysical and electrochemical properties. CP4, with its saddle-shaped structure, serves as a ditopic receptor for fullerenes.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Review
Chemistry, Multidisciplinary
J. P. Metherall, R. C. Carroll, S. J. Coles, M. J. Hall, M. R. Probert
Summary: Molecular materials based on small organic molecules often require advanced structural analysis methods to fully characterize them. Single crystal X-ray diffraction (SCXRD) is a powerful tool that provides molecular and structural elucidation at atomic level resolution. However, the availability of suitable crystals is crucial for SCXRD and related diffraction methods, making crystallization a major bottleneck. This review focuses on recently developed advanced methods for crystalline material sample preparation for SCXRD, including the inclusion of molecules within host complexes and the use of high-throughput crystallization approaches. Representative examples and discussions of their advantages and limitations are included to help researchers overcome specific analytical challenges.
CHEMICAL SOCIETY REVIEWS
(2023)
Article
Chemistry, Inorganic & Nuclear
Nsikak B. Essien, Antal Galvacsi, Csilla Kallay, Youssra Al-Hilaly, Ramon Gonzalez-Mendez, Geoffrey R. Akien, Graham J. Tizzard, Simon J. Coles, Maria Besora, George E. Kostakis
Summary: We synthesised and characterised two Zn salan fluorine-based complexes, both racemic and chiral, using commercially available materials. These complexes readily absorb H2O from the atmosphere. In solution (DMSO-H2O), both experimental and theoretical studies reveal that these complexes exist in a dimeric-monomeric equilibrium at the millimolar level. Additionally, we investigated their ability to sense amines via (19)F NMR, finding that the exchange with analytes requires an extreme excess due to the strong coordination of water or DMSO in CDCl3 or d(6)-DMSO.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Samantha Kanza, Cerys Willoughby, Nicola J. Knight, Colin L. Bird, Jeremy G. Frey, Simon J. Coles
Summary: Physical science relies on historical records and new ideas, results, and opportunities. However, a significant amount of scientific data remains inaccessible and challenges persist in the creation and accessing of high quality reusable data in the increasingly digital era.
Article
Chemistry, Inorganic & Nuclear
Sophie A. Fitzgerald, Ellie N. Payce, Peter N. Horton, Simon J. Coles, Simon J. A. Pope
Summary: This study describes the synthesis and characterisation of eleven different 2-(thienyl)quinoxaline species with various functionalities. These species exhibit variable fluorescence properties in the visible region and can serve as cyclometalating agents for Ir(III) to form luminescent complexes.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Organic
Wojciech Stawski, Jeff M. Van Raden, Connor W. Patrick, Peter N. Horton, Simon J. Coles, Harry L. Anderson
Summary: V-shaped porphyrin dimers undergo efficient oxidative coupling to form cyclic porphyrin oligomers, with curved walls. The strain in the macrocycle bends the p-phenylene and fused porphyrin dimer units, but does not significantly alter the electronic structure of the fused porphyrins.
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.
