Article
Environmental Sciences
Guomao Zheng, Luma Melo, Rishika Chakraborty, James E. Klaunig, Amina Salamova
Summary: The study suggests that high levels of 2,4,6-TBP in human tissues may come partially from the biotransformation of highly brominated substances. High levels of 2,4,6-TBP were found in human tissues compared to environmental sources, indicating a low potential for direct intake through exposure or diet.
ENVIRONMENT INTERNATIONAL
(2022)
Article
Chemistry, Organic
Jakub S. Cyniak, Artur Kasprzak
Summary: The synthesis of two novel aromatic dendrimers derived from 1,3,5-tri[1,3-diphenyl(phenyl-5-yl)phenyl-4'-yl]benzene and bearing 2,4,6-tripheny1-1,3,5-triazine cores has been reported. These dendrimers are used for OLED construction and as innovative photocatalysts for highly efficient and selective oxidation of various benzylamines under mild conditions.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Spectroscopy
Hongwei Wang, Sha Jiang, Lin Xiang, Yulong Yan, Guotao Xiang, Yanhong Li, Xiaobing Luo, Li Li, Xiao Tang, Xianju Zhou
Summary: In this study, a series of lanthanide metal-organic complexes were successfully synthesized using a C3 symmetric ligand, showing intense emission properties suitable for luminescent thermometers. Tb-TCTZ exhibited excellent response to temperature with a maximum relative sensitivity of 5.36% K-1 at 403 K. Tb0.99Eu0.01-TCTZ was evaluated for ratiometric luminescence thermometry application, displaying high sensitivity in the temperature range of 303-403 K.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Physical
C. A. Escobar, V Artigas, M. Bacho, A. Trujillo
Summary: This paper reveals the synthesis, crystal structure, and intermolecular interactions of Cy·CHCl3, which were validated through Hirshfeld surface analysis. The crystal structure exhibits pi-halogen intermolecular interactions and hydrogen bond interactions, contributing to the stability of the cell packing.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Multidisciplinary
Sihao Li, Caimei Gong, Yuyang Zhang, Shizhang Fu, Zhongping Wang, Yan Lu, Siyi Gu, Xiaoqing Liu, Li Wang
Summary: The modulation effects of Cu2+/Fe3+ ions on the hydrogen-bonded structure of TATB on a HOPG surface have been investigated. The self-assembled structures of TATB molecules formed by metal-ligand coordination bonds can be effectively adjusted by regulating the concentration of metal ions in a mixed solution, leading to the diversity of molecular architectures dominated by coordination bonds.
Article
Chemistry, Multidisciplinary
Chunhui Dai, Ting He, Lixiang Zhong, Xingang Liu, Wenlong Zhen, Can Xue, Shuzhou Li, Donglin Jiang, Bin Liu
Summary: This study demonstrates the superior performance of two covalent organic frameworks (COFs) incorporated with 2,4,6-triphenyl-1,3,5-triazine as photocathodes for H-2 production. By introducing 2,4,6-triphenylbenzene to create donor/acceptor pairs within COF, a significantly enhanced visible-light photocurrent is obtained, attributed to the narrowed bandgap and improved charge transfer by intramolecular donor-acceptor combination. This work suggests promising applications of crystalline donor-acceptor COFs as high-efficiency organic photoelectrodes for water splitting.
ADVANCED MATERIALS INTERFACES
(2021)
Article
Chemistry, Inorganic & Nuclear
Anne Sofie Abels, Frederik Eiler, Gregoire Le Corre, Pascal Jurt, Michael Worle, Rene Verel, Zoltan Benko, Hansjorg Grutzmacher
Summary: A series of stable group 6 metal complexes with 2,4,6-oxy functionalised 1,3,5-triphosphinines as ligands were synthesized, resulting in the formation of [M{P3C3(OX)(3)}(CO)(3)] compounds (M = Cr(0), Mo(0), W(0); X = H, SitBuPh(2), B(ipc)(2)]. The triphosphinines coordinate in an eta(6)-binding mode via the 6 pi-system of the ring. The ligand properties can be tuned by changing the substituent on the oxygen centre, and the order of pi-electron accepting properties is P3C3(OH)(3) < P3C3((OSiBuPh2)-Bu-t)(3) < P3C3(OB(ipc)(2))(3).
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Yan Deng, Qi-Ling Li, Yu-Qing Cai, Xian-Feng Ye, Wen Pu, Li-Feng Yao, Jian-Jun Liu, Shu-Biao Xia
Summary: Organic anode materials for lithium-ion battery with optimized small-molecule-based structure demonstrated high reversible capacity and excellent cycling performance. The lithium storage mechanism was studied using theoretical calculations and spectroscopy characterization, revealing the contribution of multiple active sites to its superior performance. This study provides new insights into the energy storage mechanism in small-molecule organic-based anode electrodes.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Physics, Applied
Brenden W. W. Hamilton, Timothy C. C. Germann
Summary: Atomistic and continuum scale modeling have investigated the collapse of porosity under shock conditions in 1,3,5-trinitro-2,4,6-triaminobenzene (TATB). The collapse mechanisms and energy localization (hotspots) in TATB are not well-characterized. Simulation results show that weak shocks cause viscoplastic collapses perpendicular to the shock direction, while strong shocks cause hydrodynamic-like collapses without breaking TATB's strong hydrogen bonds. The resulting temperature fields of the hotspots differ significantly from other energetic materials, and their relative efficiency in energy localization is assessed based on normalized temperature values.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Chemistry, Physical
Zahra Azarkamanzad, Faezeh Farzaneh, Alireza Abbasi, Mina Ghiasi
Summary: A new complex compound [Co(tptz)Cl(H2O)2]Cl.5.5H2O has been synthesized and characterized. The compound crystallizes in the monoclinic space group I2/a and the Co(II) central ion exhibits slightly distorted octahedral coordination geometry. The compound shows intermolecular interactions through hydrogen bonds and pi-pi stacking. Electronic and vibrational properties of the compound were also investigated.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Physical
Tetsuo Asaji, Hirokazu Kobayashi, Hitoshi Takamisawa
Summary: The molecular motion of hexamethylbenzene (HMB) incorporated in 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine (CLPOT) was studied using 1H NMR spin-lattice relaxation time T1 measurements. HMB molecules in the porous space of one-dimensional (1D) CLPOT nanochannels exhibit greater freedom of reorientation compared to bulk HMB crystals. At low concentrations (x < 0.5) of CLPOT-(HMB)x, the distribution of HMB appears to be heterogeneous within the 1D nanochannel. The activation energy for in-plane reorientation of HMB is determined to be 5 kJ mol-1 due to interaction with the nanochannel wall, and 10-18 kJ mol-1 depending on the separation distance between adjacent HMB molecules, which influences the activation energy.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Review
Chemistry, Multidisciplinary
Neha Rani Kumar, Abhijeet R. Agrawal
Summary: This review provides an overview of the advancements in thienyl-triazine chemistry over the past two to three decades, including synthetic pathways and important derivatives. The focus is on materials synthesized using the thienyl-triazine system, such as star molecules, linear and hyperbranched polymers, porous materials, and their diverse applications.
Article
Biochemistry & Molecular Biology
Lian Bai, Chunle Wei, Jian Zhang, Runjiang Song
Summary: In this study, a lead optimization was carried out using a commercial agent with antivirus activity and moroxydine hydrochloride. Several 1,3,5-triazine derivatives with piperazine structures were synthesized and evaluated for their anti-potato virus Y (PVY) activity. Compound C35 showed comparable or superior antiviral activity to the positive control and moroxydine hydrochloride, and molecular docking provided a theoretical basis for its activity.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Hang Gao, Ka Liu, Jin Chang, Juan Zhang
Summary: A cobalt complex with distorted trigonal antiprismatic geometry was synthesized using dipyatriz as the ligand, showing antiferromagnetic coupling between two Co(ii) ions. The complex exhibited field-induced slow relaxation under certain conditions, suggesting potential for designing new magnetic materials with distinct properties.
Article
Chemistry, Multidisciplinary
Aleksandra Kosinska, Monika K. Nisiewicz, Anna M. Nowicka, Artur Kasprzak
Summary: Two ferrocenylated organized molecules were used as receptor layers for the electrochemical recognition of polycyclic aromatic hydrocarbons. The construction of innovative sensors with Fc-1 and Fc-2 enabled efficient recognition of analytes. Comparisons between the working parameters of electrochemical sensors comprising Fc-1 or Fc-2 were also included.