Article
Chemistry, Physical
Bohang Wu, Lin Liu, Lu Zhou, Jose Rodrigo Magana, Marco M. R. M. Hendrix, Jiahua Wang, Chendan Li, Peng Ding, Yiming Wang, Xuhong Guo, Ilja K. Voets, Martien A. Cohen Stuart, Junyou Wang
Summary: The study developed a supramolecular polymer based on BTA, which forms stable fibers in the presence of appropriate metal ions; experiments showed that the formation and structure of the fibers were very similar for various transition metal ions, enabling the introduction of different functionalities by choosing different metal ions.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Biochemistry & Molecular Biology
Yue Li, Pengzhen Zhong, Junna Zhao, Zexi Pan, Chen Zhang, Dongmei Cui
Summary: In this study, a selective approach for synthesizing N-([1,3,5]triazine-2-yl) a-ketoamides and N-([1,3,5]triazine-2-yl) amides from ketones with 2-amino[1,3,5]triazines through oxidation and oxidative C-C bond cleavage reaction was reported. The transformation proceeds under mild conditions, provides good functional group tolerance and chemoselectivity, and will serve as a valuable tool for the synthesis of bioactive products.
Article
Environmental Sciences
Olivia Christian, Michael Spencer, Melissa Ladyman, Federica Persico, Encina Gutierrez-Carazo, Evie Kadansky, Tracey Temple
Summary: This study investigated the persistence of TATB in the environment and found that TATB exhibits a high resistance to open burning, leading to its long-term presence in soil. The study highlights the need for efficient disposal methods for explosives and further research on the environmental impact and toxicity of TATB.
ENVIRONMENTAL RESEARCH
(2023)
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
Spectroscopy
Igor Resendes Barbosa, Catarina De Nigris Del Cistia, Vitor dos Santos Almeida, William Queiroz Felippe, Guilherme Pereira Guedes, Ana Paula Pereira da Silva, Carlos Mauricio Rabello de Sant'Anna, Aurea Echevarria
Summary: The H-1 and C-13 nuclear magnetic resonance spectra, X-ray diffraction analysis, and infrared spectrum results revealed the hindered rotation around the carbon-nitrogen bond of the compound, which was further supported by density functional theory. The compound exhibited good antiproliferative action against a human hepatocellular carcinoma cell line in vitro.
SPECTROSCOPY LETTERS
(2021)
Article
Biochemistry & Molecular Biology
Zheng-Hua He, Yao-Yao Huang, Guang-Fu Ji, Jun Chen, Qiang Wu
Summary: In this study, the dynamic evolution process of condensed-phase carbon in TATB detonation was investigated using the quantum-based molecular dynamics method. Different carbon structures, including graphene-like, diamond-like, and diaphite, were obtained under different pressures. It was found that under high pressure, carbon undergoes a transition from C sp(2)-hybridization to sp(3)-hybridization, driven by the conversion of a hexatomic to a non-hexatomic ring. A tightly bound nucleation mechanism for diamond-like carbon dominated by a graphene-like carbon layer was identified.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Fengxi Li, Chunyu Wang, Yaning Xu, Zixian Zhao, Jiali Su, Chenhan Luo, Yujie Ning, Zhengqiang Li, Chen Li, Lei Wang
Summary: The research introduces a green and efficient method for the synthesis of unsymmetrical trisubstituted 1,3,5-triazines from isothiocyanate, amidines, and 1,1,3,3-tetramethylguanidine, achieving high yields under optimal conditions with Hemoglobin from rabbit blood as the catalyst. This enzymatic approach demonstrates the potential for extending the application of enzyme catalytic promiscuity in organic synthesis.
MOLECULAR CATALYSIS
(2021)
Article
Chemistry, Multidisciplinary
Pampi Pal, Kinsuk Das, Anowar Hossain, Rosa M. Gomila, Antonio Frontera, Subrata Mukhopadhyay
Summary: A new octahedral Ni(II) complex has been synthesized and characterized, where the protonated ligand and non-coordinated chloride ions play a crucial role in stabilizing the structural integrity through various supramolecular interactions. The interactions between the protonated ligand and the metal center have been confirmed through theoretical investigations.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Lijuan Liu, Zhichao Shi, Xun Zhang, Feng Zhan, Jin-Shun Lin, Yuyang Jiang
Summary: This study has developed a novel reaction method for the efficient synthesis of diverse α-amino tertiary alkylperoxides. Mechanistic investigations and useful synthetic applications of the products have also been presented.
CHEMISTRY-AN ASIAN JOURNAL
(2021)
Article
Biochemistry & Molecular Biology
Annamaria Halasz, Jalal Hawari, Nancy N. Perreault
Summary: This study investigates the transformation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) under different light conditions. The results show that TATB produces different intermediates and final products under sunlight and UV light exposure. This environmentally relevant discovery provides data on the fate of TATB in surface environments exposed to sunlight and reveals that hydrolytic transformation can continue even without light.
Article
Polymer Science
Jae-Hyeon Park, Min-Hye Kim, Moo-Lyong Seo, Ji-Ha Lee, Jong-Hwa Jung
Summary: This study reports the in situ formation of supramolecular gels by mixing 1,3-cyclohexane diamine and isocyanate derivative in various organic solvents at room temperature. The formed gels exhibit stable structures, thermal reversibility, and enhanced viscoelastic properties with increased concentration of the mixed compounds.
Article
Chemistry, Organic
Qinghe Gao, Manman Wu, Le Zhang, Pengju Xu, He Wang, Zhenhua Sun, Lizhen Fang, Yingchao Duan, Suping Bai, Xiangyu Zhou, Mingxin Han, Jixia Zhang, Jieli Lv
Summary: A new and practical protocol has been developed for the synthesis of medicinally privileged azolo[1,3,5]triazines by simply heating under air. The method involves in situ generation of N-azolo amidines from commercially available aromatic aldehydes and 3-aminoazoles with ammonium iodide, followed by a second diamination to accomplish the heteroannulation reaction. This process is appreciated for its high efficiency, broad substrate scope, gram-scale synthesis, and operational simplicity under reagent-free conditions.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Physics, Applied
Joel G. Christenson, Laurence E. Fried, Sorin Bastea, Michael H. Nielsen, Trevor M. Willey, Michael Bagge-Hansen
Summary: Thermochemical models of detonation are used to estimate energy delivery. This study proposes an equation of state (EOS) for carbon-rich condensates formed during the detonation of TATB-based explosives. The EOS shows high compressibility and exhibits graphite- and diamond-like behavior as a function of pressure. The soot model improves the accuracy of thermochemical calculations for TATB-based explosives and similar substances.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Organic
Fulei Ma, Xiaoyu Xie, Yuanheng Li, Ziqiang Yan, Mingming Ma
Summary: The study presents a solvent-directed and regioselective carbon-carbon bond cleavage method using azido-1,3,5-triazines (ATs) that does not require transition metal catalysts. The cleavage is driven by steric hindrance in the adducts of aryl ketones and ATs, while the high reactivity and stability of ATs in solution and solid state are explained by their molecular and crystal structures.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Organic
Sandra M. C. Schoenmakers, Bart W. L. van den Bersselaar, Shikha Dhiman, Lu Su, Anja R. A. Palmans
Summary: By starting from commercially available 5-aminoisophthalic acid, this study successfully synthesized inverted amide BTAs (iBTAs), improving synthetic efficiency while maintaining fiber structure and dynamics. Incorporating iBTAs into conventional BTA-based supramolecular polymers solved solubility issues, forming fibers similar to BTA homopolymers.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2021)
Editorial Material
Crystallography
Petra Bombicz
CRYSTALLOGRAPHY REVIEWS
(2018)
Editorial Material
Crystallography
Petra Bombicz
CRYSTALLOGRAPHY REVIEWS
(2018)
Editorial Material
Crystallography
Petra Bombicz
CRYSTALLOGRAPHY REVIEWS
(2019)
Editorial Material
Crystallography
Petra Bombicz
CRYSTALLOGRAPHY REVIEWS
(2019)
Editorial Material
Crystallography
Petra Bombicz
CRYSTALLOGRAPHY REVIEWS
(2019)
Editorial Material
Crystallography
Petra Bombicz
CRYSTALLOGRAPHY REVIEWS
(2019)
Article
Chemistry, Inorganic & Nuclear
Rozsa Szucs, Csaba Fekete, Petra Bombicz, Janos Rohonczy, Ilona Kovacs, Laszlo Nyulaszi
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Nora Veronika May, Kevin Nys, H. Y. Vincent Ching, Laura Bereczki, Tamas Holczbauer, Valerio B. Di Marco, Petra Bombicz
Summary: The coordination properties of four hydroxypyridinecarboxylates as bidentate ligands with ZIP in the solid state have been studied, and coordination compounds have been synthesized and analyzed by single-crystal X-ray diffraction. The obtained coordination geometries are compared with their previously determined Cu-II analogues, showing similarities and some novel geometries in Zn-II complexes.
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Miklos H. Bosits, Laura Bereczki, Petra Bombicz, Zsofia Szalay, Hajnalka Pataki, Adam Demeter
Summary: Diastereomeric salt crystallization was used to resolve chiral drug substances, specifically the racemate-forming compound pregabalin, in a quaternary system with l-tartaric acid and water. Solubilities and solid-liquid equilibria were measured and a thermodynamic model based on solubility product constants was created to simulate the resolution process. Optimal temperature pairs were identified and a proof of concept resolution experiment was conducted, resulting in a diastereomerically pure product.
Article
Chemistry, Multidisciplinary
Tamas Holczbauer, Dalma Gal, Janos Rohonczy, Eberhard Matern, Ewald Sattler, Petra Bombicz, Zsolt Kelemen, Ilona Kovacs
Summary: Iron(II) complexes containing ligands with a R2P-P-PR2 unit were synthesized via metathesis reactions. The size of the substituents influences the isomer ratio and the binding modes of the triphosphane ligands in the resulting compounds.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
G. Tamas Gal, Nora May, Laszlo Trif, Judith Mihaly, Petra Bombicz
Summary: This study reported the crystal structure of clopamide drug and its copper (II) complexes. By growing single crystals and analyzing molecular arrangements, the authors revealed the structural landscape of different polymorphs and solvatomorphs. The systematic comparison of crystal arrangements contributes to a better understanding of structure-directing effects and provides strategies to control molecular self-assembly.
Article
Chemistry, Multidisciplinary
Laura Bereczki, Amit Zodge, Marton Korosi, Tamas Holczbauer, Sourav De, Edit Szekely, Petra Bombicz
Summary: This study successfully elucidated the structures of two constitutional isomer double salts and their related diastereomeric salt pairs, providing deeper insights into chiral recognition and synthon engineering mastery. The crystal structures and thermal properties of all diastereomers and double salts were determined and analyzed comparatively, revealing a detailed landscape of the effect of stereochemistry on the solid-state structure of the salts.
Article
Chemistry, Multidisciplinary
Gyorgy Lendvay, Eszter Majzik, Laura Bereczki, Attila Domjan, Laszlo Trif, Istvan E. Sajo, Fernanda Paiva Franguelli, Attila Farkas, Szilvia Klebert, Petra Bombicz, Csaba Nemeth, Imre Miklos Szilagyi, Laszlo Kotai
Summary: A new dimethylammonium polytungstate has been synthesized, showing two polymorphs and a solvatomorph with highly versatile matrix properties. The structures were characterized using single-crystal X-ray diffraction and solid-phase NMR methods, revealing different hydrogen-bonded networks formed by the cations and water of crystallization. The versatility of the matrix is attributed to the ability of ammonium cations to form multiple hydrogen bonds and the rigidity of the polyoxometalate anion cage, leading to the formation of multiple polymorphs in these compounds.
Article
Chemistry, Multidisciplinary
Petra Bombicz, Nora May, Daniel Fegyverneki, Avirmed Saranchimeg, Laura Bereczki
Article
Chemistry, Multidisciplinary
Nora V. May, G. Tamas Gal, Zsolt Szentendrei, Laszlo Korecz, Zoltan May, Maria Grazia Ferlin, Annalisa Dean, Petra Bombicz, Valerio B. Di Marco
NEW JOURNAL OF CHEMISTRY
(2019)
