Article
Physics, Multidisciplinary
Zhengran Wang, Qiao Zhou, Bifa Cao, Bo Li, Lixia Zhu, Xinglei Zhang, Hang Yin, Ying Shi
Summary: In this study, the ESDPT process in the ligand was investigated using theoretical methods. It was found that the asymmetric structure influences proton transfer, resulting in different transfer abilities for the two hydrogen protons. The potential energy surface analysis revealed that HYDRAVH(2) can undergo ESDPT in the S-1 state through a stepwise proton transfer mechanism.
Article
Chemistry, Physical
Komsun Chaihan, Natthawat Semakul, Vinich Promarak, Thanh-Tuan Bui, Nawee Kungwan, Fabrice Goubard
Summary: In this study, a series of naphthalene-based Schiff bases with excited-state intramolecular proton transfer (ESIPT) were designed and synthesized. The fluorine-substituted BSD showed the most promising properties for ESIPT-based fluorescent probes in living cells due to its far-red keto emission and largest Stokes shift. The spectral shifts of keto emission peaks were dependent on the electron-withdrawing ability, leading to narrowed energy bandgaps.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2022)
Article
Chemistry, Physical
Oleksii M. Dykun, Viktor M. Anishchenko, Andrii M. Redko, Volodymyr I. Rybachenko
Summary: The intramolecular hydrogen bond energies of twenty gossypol imine derivatives were evaluated using H-1 NMR spectroscopy and quantum chemistry methods. These derivatives exhibit various types of intramolecular hydrogen bonds. The position of the O-H group proton signals in the H-1 NMR spectra provided an initial estimation of hydrogen bond energies and proton involvement in non-covalent interactions. Geometric characteristics, such as hydrogen bond length and angle, allowed for comparison of the energies of all intramolecular hydrogen bonds. The strength of the C(6)O-H center dot center dot center dot OC(7) intramolecular hydrogen bond differed between dienamine and diimine tautomeric forms.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Spectroscopy
Brian Musikavanhu, Zeping Huang, Quanhong Ma, Yongdi Liang, Zhaoli Xue, Lei Feng, Long Zhao
Summary: A pyridine modified naphthol hydrazone Schiff base chemosensor, NaPy, was prepared and used to detect aluminum ion. The probe showed a turn-off emission response towards Al3+ at a 1:1 binding stoichiometry, indicating its high sensitivity and selectivity. Application investigations suggested that NaPy can be used as an efficient probe for sensing Al3+ in real environmental samples and biosystems.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Biochemistry & Molecular Biology
Larisa E. Alkhimova, Maria G. Babashkina, Damir A. Safin
Summary: This study presents the solvatochromic and luminescent properties of four ethyl N-salicylideneglycinate dyes and investigates their photophysical properties in various solvents and with the addition of different substances. DFT calculations were used to confirm the structures and electronic/optical properties of the dyes.
Article
Chemistry, Physical
Pronab Kundu, Nitin Chattopadhyay
Summary: The prototropic behavior of the Schiff base compound NMP has been comprehensively explored using various photophysical/photochemical methods. The study reveals the occurrence of intramolecular proton transfer in both the ground and excited states and the co-existence of two distinct species of NMP in the ground state. The excited state intramolecular proton transfer process has also been confirmed, along with the support from quantum chemical calculations.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Atul Shukla, Van Thi Ngoc Mai, Velayudhan V. Divya, Cherumuttathu H. Suresh, Megha Paul, Venugopal Karunakaran, Sarah Katariina Martikainen McGregor, Ilene Allison, K. N. Narayanan Unni, Ayyappanpillai Ajayaghosh, Ebinazar B. Namdas, Shih-Chun Lo
Summary: The study reported the first efficient zwitterionic ESIPT lasing material HBT-Fl2 with low ASE threshold, high ASE photostability, and unique zwitterionic characteristics. DFT and TD-DFT studies revealed the charge redistribution in proton transfer through the fluorene conjugation in HBT-Fl2, providing a design tactic for efficient light amplification in red and longer-wavelength emission.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Atul Shukla, Van Thi Ngoc Mai, Velayudhan V. Divya, Cherumuttathu H. Suresh, Megha Paul, Venugopal Karunakaran, Sarah Katariina Martikainen McGregor, Ilene Allison, K. N. Narayanan Unni, Ayyappanpillai Ajayaghosh, Ebinazar B. Namdas, Shih-Chun Lo
Summary: The zwitterionic ESIPT material HBT-Fl2 exhibits remarkable features such as low ASE threshold, high ASE photostability, and large Stokes shift. It achieves innovative design tactics through charge redistribution in proton transfer.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Inorganic & Nuclear
Qiong-Fang Liang, Han-Wen Zheng, Dong-Dong Yang, Yong-Sheng Shi, Tong Xiao, Xiang -Jun Zheng
Summary: By introducing different functional groups, the obtained compounds exhibit different fluorescence and mechanochromic luminescence behaviors, as well as acidochromic properties and NH3-stimuli response properties.
Article
Materials Science, Multidisciplinary
Ying-Nien Chou, Ming-Zu Ou
Summary: This research developed a zwitterionic copolymer, poly(OxMA-co-SBMA), with aldehyde functional groups for nucleophilic addition reactions and SBMA units for antifouling properties. The copolymer was grafted onto an amine-based substrate using dip-coating technology, resulting in nonfouling and antiprotein properties. The optimized copolymer exhibited improved hydrophilicity and resistance to protein adsorption, as well as reduced blood cell activation, tissue cell adhesion, and bacterial attachment. The dip-coating method offers a fast and simple procedure for achieving biofouling resistance in biomedical materials.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Spectroscopy
Ye Wang, Dongdong Wang, Song Zhang
Summary: The proton transfer dynamics of Schiff bases are investigated in this study, focused on the excited state intramolecular proton transfer (ESIPT) process of photochromic salicylaldehyde azine (SAA) in solutions. The ESIPT process is found to occur within <200 fs, followed by vibrational relaxation and isomerization processes. These processes are notably influenced by the polarity of the solvents.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Chemistry, Physical
Nur Husnina Nasaruddin, Shahrul Nizam Ahmad, Siti Syaida Sirat, Kong Wai Tan, Nurul Aili Zakaria, Cepi Kurniawan, Hadariah Bahron
Summary: A tetradentate ONNO Schiffbase with unique structure was successfully synthesized and characterized through various analytical techniques including FTIR, NMR, and X-ray diffraction. The optimized structure, frontier molecular orbitals, and nucleophilic regions of the compound were determined using density functional theory calculations and experimental analyses. The compound exhibited no antibacterial activity against five bacterial strains.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Multidisciplinary
Huiling Shao, Victor Adebomi, Angele Bruce, Monika Raj, Kendall N. Houk
Summary: This study involves a computational investigation of CyClick chemistry, a reaction that selectively forms cyclic peptides from linear peptide aldehydes without the use of catalysts or directing groups. The research explores the role of intramolecular hydrogen bonds (IMHBs) in promoting the reaction mechanism and highlights the importance of IMHBs in stabilizing intermediate states and controlling product stereoselectivity. The study also examines the effect of ring strain energy on the reaction, finding that low ring strain energy promotes the formation of more stable cyclic peptides.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Spectroscopy
Guherguel Ulucam, Ufuk Bagci, Aysen Suekinci Yilmaz, Busra Yenturk
Summary: Three new phenanthroline-derived ligands were synthesized using the Schiff base condensation method and their structures and properties were characterized by spectral techniques and calculations. These ligands exhibited antimicrobial and anticancer activities, as well as good docking interactions with bovine serum albumin.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Applied
Kuiyuan Wang, Kai Chen, Tiezheng Bian, Yimin Chao, Takehiko Yamato, Feng Xing, Timothy J. Prior, Carl Redshaw
Summary: The emission properties of [2 + 2] Schiff-base macrocycles in different solvents show that an increase in solvent polarity results in a larger energy level gap and hypochromic shifts can be observed.
Article
Chemistry, Multidisciplinary
Ryoji Mitsuhashi, Kasper S. Pedersen, Takaaki Ueda, Takayoshi Suzuki, Jesper Bendix, Masahiro Mikuriya
CHEMICAL COMMUNICATIONS
(2018)
Article
Chemistry, Inorganic & Nuclear
Abdallah Yakubu, Takayoshi Suzuki, Masakazu Kita
INORGANICA CHIMICA ACTA
(2019)
Article
Chemistry, Inorganic & Nuclear
Abdallah Yakubu, Takayoshi Suzuki, Masakazu Kita
Article
Chemistry, Inorganic & Nuclear
Masatoshi Mori, Yukinari Sunatsuki, Takayoshi Suzuki
INORGANIC CHEMISTRY
(2020)
Article
Chemistry, Physical
Hiroshi Isobe, Mitsuo Shoji, Takayoshi Suzuki, Jian-Ren Shen, Kizashi Yamaguchi
Summary: The primary coordination sphere of the multinuclear cofactor in the oxygen-evolving complex of photosystem II plays a crucial role in the catalytic reaction by controlling the sequence of oxidation/reduction and water binding/release.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Biochemistry & Molecular Biology
Kennedy Mawunya Hayibor, Yukinari Sunatsuki, Takayoshi Suzuki
Summary: In this study, Ni-II complexes with two unsymmetric azine-based ligands were obtained through the reaction of 2-pyridine carboxaldehyde, 4-formylimidazole (or 2-methyl-4-formylimidazole), and NiCl2 center dot 6H(2)O in methanol. Spectroscopic measurements and single-crystal X-ray analysis confirmed the phase purity and molecular crystal structures of the obtained Ni-II complexes.
Article
Chemistry, Multidisciplinary
Daniel K. B. Acheampong, Yukinari Sunatsuki, Takayoshi Suzuki
Summary: The crystal structures and spectroscopic properties of both E- and Z-isomers of H2Lim were studied. An aerobic reaction of H2Lim with Co(BF4)2 resulted in the formation of a mononuclear cobalt(III) complex, [Co(Z-HLim)2]BF4 (1), and a dinuclear complex, [Co2(mu-E-HLim)3](BF4)3 (2), with tridentate hydrazonate ligands bridging the two CoIII centers in a C3-symmetry triple helicate mode.
RESULTS IN CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Kazuma Takahara, Yuki Horino, Koki Wada, Hiromu Sakata, Yukinari Sunatsuki, Masaaki Kojima, Takayoshi Suzuki
Summary: In this study, the crystal structures and crystallization behaviors of a series of heterotrinuclear Zn/ Ln/ Zn complexes were investigated. Homochiral structures were observed, and various types of spontaneous resolution were found, including the exclusive formation of left-handed Δ-conglomerates in the Tb-III complex, which is termed absolute spontaneous resolution.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Crystallography
Masatoshi Mori, Atsushi Namioka, Takayoshi Suzuki
Summary: The crystal structures of three dichloridopalladium(II) complexes were analyzed, showing that the methyl- and phenyl-substituted compounds exhibit tetrahedral distortion around the PdII center, while the phenyl-substituted compound shows a twist conformation. This twist conformation prevents any intermolecular pi-pi stacking interaction between the quinoline planes, which is observed in the crystals of the other two complexes.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2021)
Article
Crystallography
Masatoshi Mori, Takayoshi Suzuki
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2020)
Article
Chemistry, Multidisciplinary
Ryoji Mitsuhashi, Satoshi Hosoya, Takayoshi Suzuki, Yukinari Sunatsuki, Hiroshi Sakiyama, Masahiro Mikuriya
Article
Chemistry, Inorganic & Nuclear
Bahjat El Rez, Jiawen Liu, Virginie Bereau, Carine Duhayon, Yuki Horino, Takayoshi Suzuki, Laurent Coolen, Jean-Pascal Sutter
INORGANIC CHEMISTRY FRONTIERS
(2020)
Article
Chemistry, Multidisciplinary
Misaki Matsushima, Koki Wada, Yuki Horino, Kazuma Takahara, Yukinari Sunatsuki, Takayoshi Suzuki
Article
Chemistry, Inorganic & Nuclear
Rina Ogawa, Takayoshi Suzuki, Masakazu Hirotsu, Noriyuki Nishi, Yuu Shimizu, Yukinari Sunatsuki, Yoshio Teki, Isamu Kinoshita
DALTON TRANSACTIONS
(2019)
Article
Chemistry, Inorganic & Nuclear
Ryoji Mitsuhashi, Satoshi Hosoya, Takayoshi Suzuki, Yukinari Sunatsuki, Hiroshi Sakiyama, Masahiro Mikuriya
DALTON TRANSACTIONS
(2019)
Article
Spectroscopy
Zh. E. Ozbekova, A. A. Abdyldaev, A. A. Kulmyrzaev
Summary: This study compared two drying methods for cow and yak muscles, finding that freeze drying caused less discoloration. Additionally, analysis of fluorescence spectra allowed for accurate prediction of chemical composition and color characteristics of the muscles.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Leo Mandic, Ivan Ljubic, Iva Dzeba
Summary: In this study, a combined experimental and computational approach was used to investigate the photoexcitation and photodegradation mechanisms of Doxazosin (DOX). The results provide valuable insights into the primary events following the photoexcitation of DOX and its potential applications.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Xiufeng Wang, Yao Jin, Wenhui Ai, Siqi Wang, Zhiqing Zhang, Ting Zhou, Fang Wang, Guodong Zhang
Summary: This study successfully synthesized near infrared fluorescence Ag2S quantum dots (QDs) and developed a dual-mode sensor for sulfide anion using the excellent oxidase-like characteristics of manganese dioxide (MnO2) nanosheets. The sensor showed a wider detection range, higher sensitivity, and shorter reaction time, making it suitable for highly selective detection of sulfide in different concentration ranges.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yafei Li, Yanming Ma, Chuantao Zheng, Di Yu, Lien Hu, Shuo Yang, Fang Song, Yadan Li, Shuanghai Liu, Zhanrui Zhang, Yu Zhang, Yiding Wang, Frank K. Tittel
Summary: To effectively monitor gas explosion and coal spontaneous combustion in coal mine, an intrinsically safe and explosion-proof dual-gas sensor system was developed for methane (CH4) and carbon monoxide (CO) measurement. The system achieved different measurement ranges using laser scanning and gas cells, and improved stability and accuracy through gas pre-treatment and temperature compensation algorithm.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Pei-Rong Chen, Li-Kang Chu
Summary: In this study, the hydrates of glyoxal were investigated using infrared absorption spectrometry. The results showed that at low concentrations, glyoxal mainly exists as monomeric dihydrate. These findings provide suitable detection windows for further research on the roles of glyoxal and its hydrates in atmospheric and aerosol chemistry, as well as the relevant reaction kinetics.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Nichole O'Neill, Thamires A. Lima, Fabio Furlan Ferreira, Nicolas J. Alvarez, Reinhard Schweitzer-Stenner
Summary: This study determines the main fibril axis of GHG gel-forming fibrils using various techniques and compares the results with simulated data. The analysis suggests that the hydrophobic xz-surfaces of GHG fibrils could be a good target for the adsorption of hydrophobic drugs.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Mengyuan Liu, Hanchuang Zhu, Yikun Fang, Caiyun Liu, Xinke Li, Xiaohui Zhang, Lixue Ma, Kun Wang, Miaohui Yu, Wenlong Sheng, Baocun Zhu
Summary: ABHS is an efficient fluorescent probe that can accurately and sensitively detect Al3+ with strong resistance to interference. It also demonstrates excellent detection and imaging capabilities in complex real samples.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Ahmed S. El-Shafie, Evana Rahman, Yasser Gadelhak, Rehab Mahmoud, Marwa El-Azary
Summary: The recycling of waste mandarin peels into biochar (MRBC) has been used as a high performance and cost-effective adsorbent for treating polluted wastewater effluents. Batch adsorption studies were conducted to analyze the adsorption competency of MRBC on two dyes, methylene blue (MB) and basic fuchsin (BF), either in individual solutions or binary combinations. The results showed that MRBC was capable of effectively removing a high percentage of both dyes. However, the adsorption capacity decreased when the dyes were combined. The cost estimation of MRBC production and wastewater treatment indicated that both were relatively low.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Anindita Bhatta, Jahnabi Upadhyaya, Dipak Chamlagai, Lincoln Dkhar, Pynskhemborlang T. Phanrang, Mohan Rao Kollipara, Sivaprasad Mitra
Summary: Derivatives of thiazole-pyrazole fused benzo-coumarin compounds were synthesized and their photophysical properties were investigated. The synthesized coumarin compounds showed potential as therapeutic agents for Alzheimer's disease, inhibiting acetylcholinesterase activity. The presence of human serum albumin was found to affect the inhibition activity.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yongwei Duan, Quancheng Liu, Yiju Zhu, Qi Zhang, Xiaohui Duan, Hu Deng, Liping Shang
Summary: In this study, the phase transition of CL-20 was observed using terahertz spectroscopy, and quantum chemical calculations were employed to analyze the vibrations. The results indicated changes in the vibrations of CL-20 before and after phase transition.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yuefeng Gao, Sai Xu, Baojiu Chen
Summary: This study synthesized Cs2NaInCl6 nanocrystals co-doped with Sb3+ and Tb3+ ions as probes for copper ions detection in lubricating oil. The introduction of Sb3+ effectively reduced the band gap of the host material and enabled energy transfer pathway for Tb3+ emission. The doped Tb3+ ions resulted in the suppression of emission due to electron transfer. The Cs2NaInCl6: 2.5 %Sb3+, 40 %Tb3+ NCs exhibited superior sensitivity and selectivity for copper ions detection.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yu Liu, Yue Zhang, Changyao Liu, Ce Wang, Baocai Xu, Li Zhao
Summary: A highly sensitive detection platform for heparin was developed using a cationic fluorescent dye (cresyl violet acetate) as a fluorescence probe. The platform demonstrated high selectivity towards heparin and achieved detection in both HEPES solution and serum.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Lopamudra Roy, Nivedita Pan, Susmita Mondal, Ria Ghosh, Md. Nur Hasan, Neha Bhattacharyya, Soumendra Singh, Kallol Bhattacharyya, Arpita Chattopadhyay, Samir Kumar Pal
Summary: The study focuses on the interaction between reactive oxygen species (ROS) and a spectroscopic probe called Rose Bengal (RB), encapsulated in nanoscopic sodium dodecyl sulphate (SDS) micelles and entrapped in microscopic nylon 66 solid matrix. The research demonstrates efficient interaction between ROS and RB-SDS, and investigates the mechanism of hydroxyl radicals generation. Based on these findings, a prototype device utilizing RB embedded in a nylon thin film for quantification of ROS in extracellular fluids and food materials was developed.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Xiaosong Sun, Qihao Cui, Wenyue Dong, Qian Duan, Teng Fei
Summary: Conjugated porous polymers (CPPs) are promising sensing materials and their application in aqueous media is limited. In this study, we synthesized CPPs with porous structure and prepared nanoparticles, enabling efficient photoluminescence sensing of nitroaromatic explosives in aqueous phase.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Maria Cristina Caggiani, Germana Barone, Paolo Mazzoleni
Summary: Raman spectroscopy is commonly used for studying glassy materials in cultural heritage, but it is more difficult to interpret the spectra and apply the technique with portable instruments. In contrast, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) can be used in archaeometric investigations as it is portable and non-invasive. However, there is limited application of this technique to historical glasses. This exploratory work demonstrates the potential of DRIFTS, in combination with portable X-ray Fluorescence (pXRF) and EDS microanalyses, for studying the composition and alteration of glass samples in cultural heritage.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)