Article
Spectroscopy
Essam M. Hussein, Nizar El Guesmi, Saleh A. Ahmed
Summary: The study extensively investigated the photophysical properties of 24 environmentally-sensitive cyanopyridine fluorophores in various solvents, revealing the fluorescence behavior, quantum yield, and Stokes shifts. Different para-substituted-phenyl moieties were also found to affect the emission spectra sensitivity. The analysis using Lippert-Mataga and Reichardts correlations further suggested the strong ICT character of the designed fluorescence derivatives.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Physical
Afrisham Ahmad, Rajeev K. Sinha, Suresh D. Kulkarni, Prinston Melroy Lewis, Pranam Bhat, Nitinkumar S. Shetty
Summary: In this study, a new synthetic method for fluorescent molecules was reported, and novel derivatives were synthesized. The derivatives showed broad absorption and emission bands in both solid and solution phases, with CP1 and CP2 exhibiting high photoemission efficiencies in both phases.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Chemistry, Physical
Alexey A. Kalinin, Sirina M. Sharipova, Alina I. Levitskaya, Yulia B. Dudkina, Timur I. Burganov, Olga D. Fominykh, Sergey A. Katsyuba, Yulia H. Budnikova, Marina Yu. Balakina
Summary: Chromophores with charged heterocyclic acceptor moiety in combination with divinylquinoxaline conjugated pi-bridge exhibit a significant solvatochromic shift, small energy gap value, and large first hyperpolarizability. A change in trend by opposite one in the characteristics in the series of chromophores is exhibited when passing from gas to solvent.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Wu Zhang, Haizeng Li, Abdulhakem Y. Elezzabi
Summary: Zn-based multicolor electrochromic displays have been demonstrated to broaden color hues and further tune color hues by adjusting coordinates, representing a novel strategy for fabricating multicolor electrochromic displays. These findings are expected to advance the development of electrochromic displays.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Shilei Ding, Zhongyu Liang, Jie Yang, Chao Yun, Peijie Zhang, Zefang Li, Mingzhu Xue, Zhou Liu, Guang Tian, Fuyang Liu, Wenhong Wang, Wenyun Yang, Jinbo Yang
Summary: The study showed that the magnetic properties of Fe3GeTe2 are affected by hydrostatic pressure, leading to a decrease in Curie temperature and suppression of magnetization. High-pressure x-ray diffraction techniques revealed changes in Fe-Fe bond lengths and Fe-Ge(Te)-Fe bond angles under pressure. The competition between different exchange interactions plays a crucial role in the magnetic response under pressure.
Article
Chemistry, Organic
Jela Nociarova, Patrik Osusky, Erik Rakovsky, Dimitris Georgiou, Ioannis Polyzos, Mihalis Fakis, Peter Hrobarik
Summary: Direct iodination of benzothiazoles under strong oxidative/acidic conditions results in a mixture of iodinated heteroarenes with 1-2 major components, including 4,7-diiodobenzothiazoles with a rare substitution pattern as dominant products. These compounds have been utilized in the synthesis of a new class of highly efficient quasi-quadrupolar fluorophores, exhibiting large two-photon absorption cross sections in the near-infrared region.
Article
Materials Science, Multidisciplinary
Zhi-Xu Zhang, Chang-Yuan Su, Ji-Xing Gao, Tie Zhang, Da-Wei Fu
Summary: This study successfully developed a simple and effective method for integrating luminescence and dielectric switching in 2D perovskites, demonstrating efficient multichannel optoelectronic responses.
SCIENCE CHINA-MATERIALS
(2021)
Article
Biochemistry & Molecular Biology
Francesco Segatta, David M. Rogers, Naomi T. Dyer, Ellen E. Guest, Zhuo Li, Hainam Do, Artur Nenov, Marco Garavelli, Jonathan D. Hirst
Summary: A fully quantitative theory on the relationship between protein conformation and optical spectroscopy would enhance understanding of protein dynamics and folding in biophysical and simulation studies. Recent advances in calculating near-UV bands, achieved through consideration of the vibrational structure of aromatic side chains, have improved accuracy in these calculations.
Article
Spectroscopy
Changjiao Shang, Yunjian Cao, Zhuqi Shao, Chaofan Sun, Yuanzuo Li
Summary: This study comprehensively explored the solvent effects on the excited-state intramolecular proton transfer (ESIPT) and photophysical properties of a fluorescent dye. It was found that increasing solvent polarity weakened the intramolecular hydrogen bond intensity and affected the ESIPT process, while molecular configuration torsion could regulate the fluorescence intensity by aggravating the twisted intramolecular charge transfer (TICT) state. This theoretical research provides valuable guidance for controlling the photophysical behavior of compounds by altering solvent polarity.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Materials Science, Multidisciplinary
N. Bazazzadeh, M. Hamdi, S. Park, A. Khavasi, S. M. Mohseni, A. Sadeghi
Summary: Theoretical investigation into magnetoelastic coupling (MEC) and its effects on magnon transport in two-dimensional antiferromagnets with a honeycomb lattice was conducted. MEC coefficients were calculated for transition-metal trichalcogenide monolayers, leading to the prediction of significantly enhanced spin-Nernst coefficient. The study highlights the importance of magnetic anisotropy in controlling magnon-phonon hybridization and spin-Nernst coefficient enhancement.
Article
Nanoscience & Nanotechnology
Yilin Ding, Mengying Wang, Zheyue Mei, Xungang Diao
Summary: In this study, an inorganic and multicolor electrochromic energy storage device (MEESD) was designed, which exhibits flexibility and all-solid-state merits. The device shows fast response, good coloration efficiency, and excellent energy storage capabilities. The color of the device can be monitored by the change in charge state. The stability of the device in common and humidity environments was also analyzed. This work provides feasible thoughts for designing multifunctional electrochromic devices integrated with inorganic, flexible, all-solid-state, multicolor, and energy storage properties.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Multidisciplinary Sciences
Fengfeng Zhu, Lichuan Zhang, Xiao Wang, Flaviano Jose dos Santos, Junda Song, Thomas Mueller, Karin Schmalzl, Wolfgang F. Schmidt, Alexandre Ivanov, Jitae T. Park, Jianhui Xu, Jie Ma, Samir Lounis, Stefan Bluegel, Yuriy Mokrousov, Yixi Su, Thomas Brueckel
Summary: The study reports the realization of topological magnon insulators in CrXTe3 compounds, confirming the nontrivial nature of gap opening at the magnon band-crossing Dirac points and the emergence of corresponding in-gap topological edge states. This class of remarkable 2D materials is expected to lead to new technological applications in magnonics and topological spintronics.
Article
Chemistry, Multidisciplinary
Chen Li, Mingshuo Zhen, Boshan Sun, Yingping Hong, Jijun Xiong, Wenzhi Xue, Xiaohua Li, Zhongkun Guo, Lei Liu
Summary: This study demonstrates the fabrication of electrochromic devices (ECDs) with vivid colors and expanded color range by introducing carbon dots into the ion electrolyte layer. The resulting ECDs can maintain a stable and reversible color change even in high temperature environments.
FRONTIERS IN CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Shameel Thurakkal, Xiaoyan Zhang
Summary: This study successfully attached porphyrin units onto black phosphorus nanosheets (BPNSs) through chemical functionalization, improving their stability. Various analytical techniques were used to confirm the formation of porphyrin-functionalized BPNSs and investigate their photophysical properties. The stable functionalized BPNSs hold promising applications in optoelectronic devices.
MATERIALS CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Multidisciplinary
Jiazhen Gu, Yu Tao, Tonghuan Fu, Songhao Guo, Xiaofan Jiang, Yan Guan, Xiaotong Li, Chen Li, Xujie Lu, Yongping Fu
Summary: This study reveals the structural dynamics of two-dimensional lead iodide perovskites with different spacer cations. The loose packing of an undersized spacer cation leads to out-of-plane octahedral tilting, while the compact packing of an oversized spacer cation stretches the Pb-I bond length and results in the off-center displacement of Pb2+ ions driven by the stereochemical expression of the Pb2+ 6s(2) lone pair electrons. The pressure tuning of 2D lead halide perovskites further confirms the correlations between the structural, phonon, and optical properties, highlighting the importance of minimizing dynamic structural distortions for achieving high luminescence properties.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Pharmacology & Pharmacy
Mark L. Bannister, Anita Alvarez-Laviada, N. Lowri Thomas, Sammy A. Mason, Sharon Coleman, Christo L. du Plessis, Abbygail T. Moran, David Neill-Hall, Hasnah Osman, Mark C. Bagley, Kenneth T. MacLeod, Christopher H. George, Alan J. Williams
BRITISH JOURNAL OF PHARMACOLOGY
(2016)
Article
Chemistry, Multidisciplinary
Z. S. Al-Garawi, B. A. McIntosh, D. Neill-Hall, A. A. Hatimy, S. M. Sweet, M. C. Bagley, L. C. Serpell
Review
Chemistry, Multidisciplinary
Hatem M. Gaber, Mark C. Bagley, Zeinab A. Muhammad, Sobhi M. Gomha
Review
Chemistry, Organic
Hatem M. Gaber, Sobhi M. Gomha, Thoraya A. Farghaly, Zeinab A. Muhammad, Mark C. Bagley
CURRENT ORGANIC CHEMISTRY
(2018)
Article
Chemistry, Medicinal
Sandra Roehm, Martin Schroeder, Jessica E. Dwyer, Caroline S. Widdowson, Apirat Chaikuad, Benedict-Tilman Berger, Andreas C. Joerger, Andreas Kraemer, Jule Harbig, Daniel Dauch, Mark Kudolo, Stefan Laufer, Mark C. Bagley, Stefan Knapp
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2020)
Article
Chemistry, Organic
Arathy Jose, Raysa Khan Tareque, Martin Mortensen, Remi Legay, Simon J. Coles, Graham J. Tizzard, Barnaby W. Greenland, Trevor G. Smart, Mark C. Bagley, John Spencer
Summary: The study investigated the bioisosteric replacement of the chlorogroup in benzodiazepine with the SF5 group, leading to a decrease in potency for potentiating GABA(A) receptor activation after the replacement. This demonstrates the potential for further modification to form more complex scaffolds with highly fluorinated benzodiazepines.
Article
Biochemistry & Molecular Biology
Claudio Luparello, Ilenia Cruciata, Andreas C. Joerger, Cory A. Ocasio, Rhiannon Jones, Raysa Khan Tareque, Mark C. Bagley, John Spencer, Martin Walker, Carol Austin, Tiziana Ferrara, Pietro D' Oca, Rossella Bellina, Rossella Branni, Fabio Caradonna
Summary: Carbazole compounds PK9320 and PK9323, as second-generation analogues of PK083, have been shown to restore p53 signaling in cancer cells by binding to mutation-induced surface crevices. The study demonstrates that small modifications in carbazole substitution patterns can significantly impact their genotoxic and epigenetic properties, with PK9320 and PK9323 being potential candidates for anticancer and epi-compounds.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Mathematics, Applied
Omar Lakkis, Amireh Mousavi
Summary: In this article, we propose a least-squares method for recovering the gradient and possibly the Hessian of an elliptic equation in nondivergence form. By incorporating the curl-free constraint into the target functional, inf-sup stabilization is not required for the discrete spaces. We demonstrate the a priori and a posteriori convergence results using standard conforming finite elements, and validate our findings with numerical experiments involving uniform or adaptive mesh refinement.
IMA JOURNAL OF NUMERICAL ANALYSIS
(2022)
Article
Chemistry, Medicinal
Arathy Jose, Daniel Guest, Remi LeGay, Graham J. Tizzard, Simon J. Coles, Mariliza Derveni, Edward Wright, Lester Marrison, Alpha A. Lee, Aaron Morris, Matt Robinson, Frank von Delft, Daren Fearon, Lizbe Koekemoer, Tetiana Matviuk, Anthony Aimon, Christopher J. Schofield, Tika R. Malla, Nir London, Barnaby W. Greenland, Mark C. Bagley, John Spencer
Summary: The pentafluorosulfanyl (-SF5) group is gaining increasing interest as a bioisostere in medicinal chemistry. A library of SF5-containing compounds was synthesized using various methods and tested against different targets. The results demonstrate the utility of the SF5 group in medicinal chemistry.
Review
Pharmacology & Pharmacy
Yifeng Cao, Yifeng Ma, Yi Tao, Weifeng Lin, Ping Wang
Summary: OA is a common joint disease, and current clinical treatments are limited to pain relief and anti-inflammation, emphasizing the need to develop disease-modifying drugs for more efficient treatment. Intra-articular injection delivers drugs directly to the joints, increasing drug concentration and reducing side effects, calling for proper design of drug delivery systems to prolong retention time and improve targeting.
Article
Chemistry, Multidisciplinary
Lydia A. Panther, Daniel P. Guest, Andrew McGown, Hugo Emerit, Raysa Khan Tareque, Arathy Jose, Chris M. Dadswell, Simon J. Coles, Graham J. Tizzard, Ramon Gonzalez-Mendez, Charles A. Goodall, Mark C. Bagley, John Spencer, Barnaby W. Greenland
Summary: Solvent-free synthesis using a vibratory ball mill enables new chemical reactions with reduced solvent waste and shorter reaction times. This study reports the functionalization of Br-2-NDI through Suzuki, Sonogashira, and Buchwald-Hartwig coupling reactions, producing important building blocks for organic electronics.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Biochemistry & Molecular Biology
Andrew McGown, Anthony K. Edmonds, Daniel Guest, Verity L. Holmes, Chris Dadswell, Ramon Gonzalez-Mendez, Charles A. Goodall, Mark C. Bagley, Barnaby W. Greenland, John Spencer
Summary: The study demonstrates that a cheap and conventional sealed heating reactor can be a valuable alternative to a microwave reactor for synthesizing a large-scale MIDA boronate library, with shorter reaction times and energy and solvent savings.
Article
Polymer Science
Wing T. Lam, Tahkur S. Babra, Julian H. D. Smith, Mark C. Bagley, John Spencer, Edward Wright, Barnaby W. Greenland
Summary: In this study, a polyurethane-based composite was designed and synthesized to reduce the amount of viable SARS-CoV-2 virus in contact with the polymeric film surface without manual cleaning. The composite, loaded with silver nanoparticles, showed a significant reduction in viable virus load compared to the pristine polyurethane, suggesting its potential application as a retrofit surface for common touchpoints.
Review
Biochemistry & Molecular Biology
James R. Hanson, Tyler Nichols, Yousef Mukhrish, Mark C. Bagley
NATURAL PRODUCT REPORTS
(2019)
Article
Chemistry, Medicinal
Terence Davis, Amy J. C. Brook, Michal J. Rokicki, Mark C. Bagley, David Kipling
Review
Chemistry, Multidisciplinary
Dan He, Yawen Li, Fuwen Zhao, Yuze Lin
Summary: High trap density in organic solar cells leads to localized charge carriers and reduced carrier lifetime, limiting device efficiency. This feature article summarizes the recent advances of trap suppression by material design and device engineering.
CHEMICAL COMMUNICATIONS
(2024)
Review
Chemistry, Multidisciplinary
Olivier Monfort, Arshitha Madhusudhan, Martin Motola
Summary: This article presents the advantages of coupling photocatalysis and Fenton-based processes for environmental remediation and discusses their synergy. It critically examines the simultaneous triggering of these two processes and provides insights into research approaches. The study aims to enhance understanding of this complex process and highlight the potential integration of new catalysts in current wastewater treatment technology.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Manideepa Dhar, Chittaranjan Mishra, Avijit Das, Uttam Manna
Summary: An approach of 'polymerization of monomers in its aggregated form' has been introduced to tailor the water wettability of fibrous and porous substrates, achieving hydrophobicity to superhydrophobicity transition, as well as patterned wettability. This facile chemical method provides a durable coating with adjustable and patterned wettability for various potential applications.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Saswat Ranjan Bhoi, Chhanda Debnath, Shikha Gandhi
Summary: In this article, a novel catalytic reaction using Pd(0) and Bronsted acid is reported for the synthesis of biologically important imidazolidinone-fused N-heterocycles through redox-neutral intramolecular N-allylation of indoles and pyrroles with alkynes. This atom-economical method is applicable to a wide range of substrates and eliminates the need for leaving groups or oxidizing agents commonly used in traditional allylation reactions.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Longkun Chen, Mingshuai Zhang, Meichen Liu, Zhuoyuan Liu, Yuetong Qiu, Zhilai Zhang, Fuchao Yu, Jiuzhong Huang
Summary: In this study, an efficient Rh(III)-catalyzed selective mono- and dual-C-H bond functionalization/cyclization with iodonium ylide as the sole coupling partner was demonstrated. Fused benzodiazepine skeletons were obtained in excellent yields, providing an improved approach to dual C-H unsymmetrical functionalization.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Alice Kennett, Sven Epple, Gabriella van der Valk, Irene Georgiou, Evelyne Gout, Romain R. Vives, Angela J. Russell
Summary: This study presents the design and synthesis of sulfated disaccharide inhibitors based on IdoA(2S)-GlcNS(6S), which showed potent inhibition of Sulf-2. The results suggest that IdoA(2S)-GlcNS(6S) is the shortest fragment size required for effective inhibition of Sulfs, and a trisulfated disaccharide is identified as the minimal fragment size of heparan sulfate for effective endosulfatase inhibition.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Mauro Garbini, Andrea Brunetti, Riccardo Pedrazzani, Magda Monari, Massimo Marcaccio, Giulio Bertuzzi, Marco Bandini
Summary: The self-adaptability of galvanostatic electrolysis was found to be helpful in a multistage chemo- and diastereoselective electrochemically promoted cyclodimerization of chalcones. Through a series of reductive events, densely functionalized cyclopentanes with five contiguous stereocenters were obtained (25 examples, yields up to 95%, dr values up to >20:1). Further experimental and electrochemical investigations indicated the crucial role of dynamic kinetic resolution of the aldol intermediate in the reaction mechanism.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Dhananjay S. Nipate, Neha Meena, Prakash N. Swami, Krishnan Rangan, Anil Kumar
Summary: In this study, the synthesis of functionalized benzo[a]phenazines and indazolo[2,3-a]quinolines was achieved through Rh(III)-catalyzed oxidative annulation of 2-arylquinoxalines and 2-aryl-2H-indazoles with allyl alcohols. The method showed a wide substrate scope, excellent functional group tolerance, good to high yields of annulated products, and the capability for scaled-up synthesis. A tentative mechanism of the annulation reaction was proposed based on a preliminary mechanistic investigation.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Ruonan Zhang, Abudukadi Tudi, Xia Yang, Xuping Wang, Zhihua Yang, Shujuan Han, Shilie Pan
Summary: A new lead tellurium borate material with a unique fundamental building block [B4O10] was synthesized and found to exhibit high birefringence. The structure-property relationship was discussed using first-principles calculations.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Amresh Kumar Singh, Baishali Thakurta, Anupam Giri, Monalisa Pal
Summary: This study introduces three key concepts for the quick synthesis of large-scale high-quality 2D materials films and their utilization in device fabrication.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Reina Hagiwara, Shun Nishimura, Kosuke Okeyoshi
Summary: A copolymer-conjugated nanocatalytic system has been developed to improve electron transfer and enhance photoinduced H2 generation.
CHEMICAL COMMUNICATIONS
(2024)
