Use of quantum chemical methods to study concomitant polymorphs of new benzimidazole-1,2,3-triazole hybrid compound
CrystEngComm, 2024, Accepted Manuscript DOI: 10.1039/D3CE01152F, PaperSvitlana V. Shishkina, Anna Shaposhnyk, Viktoriya Dyakonenko, Mariia O. Shyshkina, Sergiy Mykolayovich Kovalenko A novel benzimidazole-1,2,3-triazole hybrid molecule, 4-(1H-benzo[d]imidazol-2-yl)-1-(2-methoxyphenyl)-1H-1,2,3-triazol-5-amine, was synthesized. Two concomitant polymorphs of the title compound were crystallized from the same solution simultaneously. Various quantum chemical methods were used to explain... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 30, 2024 Category: Chemistry Authors: Svitlana V. Shishkina Source Type: research
An Unusual Ionic Cocrystal of Ponatinib Hydrochloride: Characterization by Single-Crystal X-ray Diffraction and Ultra-High Field NMR Spectroscopy
This study describes the discovery of a unique salt-cocrystal of the active pharmaceutical ingredient (API) ponatinib hydrochloride (pon), and characterization using single-crystal X-ray diffraction (SCXRD) and solid-state NMR (SSNMR) spectroscopy.... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 30, 2024 Category: Chemistry Authors: Alexander Joseph Stirk Source Type: research
Construction and catalytic effects of solvent- and metal(II)-dependent products: the process of transformation of 0D structures into 3D structures
CrystEngComm, 2024, Advance Article DOI: 10.1039/D3CE01298K, PaperGyeongmin Kim, Jihun Han, Dongwon Kim, Ok-Sang Jung The dimensions of M(II) complexes are dependent on the solvents or metals(II) employed, and a transformation of the cage into 3D occurs. Zn(II) and Cu(II) species are effective catalysts in transesterification and catechol oxidation, respectively. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 30, 2024 Category: Chemistry Authors: Gyeongmin Kim Source Type: research
Molybdenum-doped Co3S4 nanoarrays as outstanding catalysts for overall water splitting
CrystEngComm, 2024, Advance Article DOI: 10.1039/D3CE01132A, PaperYanshui Zhai, Linjun Cai, Zhikun Gong, Wenzhuo Hu, Zhimei Li Developing cobalt-based electrocatalysts that can replace precious metals is significant for hydrogen production in water splitting, however, this is still a complex and demanding task. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 30, 2024 Category: Chemistry Authors: Yanshui Zhai Source Type: research
Naphthalene-1,8-dicarboxylate based zinc coordination polymers: A photophysical study
This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.Pablo Guerrero-Garc ía, Javier Cepeda, Mariano Ortega-Muñoz, José Ángel García, Amparo Navarro, Duane Choquesillo-Lazarte, Sara Rojas, Antonio Rodríguez Diéguez, María Mar Quesada-Moreno, Iñigo J. Vitorica Yrezabal Abstract. Herein, we report the synthesis and photoluminescence properties of a new 1,3-dioxo-2-(1H-tetrazol-5-yl)-2,3-dihydro-1H-benzo[de]isoquinoline-6,7-dicarboxylic (H3L) ligand and three coordination polymers (CPs). Compound [Zn(ntca)DMF]n ·DMF (1) (ntca2- = 1,4,5,8-naphthalenetetracarboxylate 1,8-monoa...
Source: RSC - CrystEngComm latest articles - January 30, 2024 Category: Chemistry Authors: Pablo Guerrero-Garc ía Source Type: research
Low-Temperature Self-Flux Route to Prepare Hexagonal Rare Earth Fluorides and Manipulation of Upconversion Luminescence in Rodlike NaYbF4:Tm3+/ Fe3+ Crystals
CrystEngComm, 2024, Accepted Manuscript DOI: 10.1039/D3CE01159C, PaperXinyang Huang, Min Liao The low-temperature self-flux strategy has been applied to fabricate a large collection of pure hexagonal phase rare earth fluorides NaREF4 and REF3 (RE = rare earth) using NaNO3, RE(NO3)3 ·xH2O and... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 29, 2024 Category: Chemistry Authors: Xinyang Huang Source Type: research
Project M: investigating the effect of additives on calcium carbonate crystallisation through a school citizen science program
This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Claire A. Murray, Project M Scientists, Laura Holland, Rebecca O'Brien, Alice Richards, Annabelle R. Baker, Mark Basham, David Bond, Leigh D. Connor, Sarah J. Day, Jacob Filik, Stuart Fisher, Peter Holloway, Karl Levik, Ronaldo Mercado, Jonathan Potter, Chiu C. Tang, Stephen P. Thompson, Julia E. Parker Crystallisation pathways of calcium carbonate are strongly influenced by the presence of additives. Through X-ray diffraction, samples made by the Project M Scientists reveal the effect of amino acid and related additives on the crystal struct...
Source: RSC - CrystEngComm latest articles - January 29, 2024 Category: Chemistry Authors: Claire A. Murray Source Type: research
Designed synthesis of a turn-off fluorescence sensor based on a multifunctional Zn(II) coordination polymer for detection of Fe3+, Hg2+ and 4-nitrophenol
CrystEngComm, 2024, Accepted Manuscript DOI: 10.1039/D3CE01174G, PaperBo Zhao, Jiang Feng Lu, Hao Liu, Senlin Li, Qiaozhen Sun, Bingguang Zhang A new π-conjugated bridging-type dicarboxylic acid with functional alkynyl group, 4,4'-(ethynylimino)bis[benzoic acid] (H2L), was designed and synhtesized to construct a Zn(II)-based coordination compound [ZnL(dpa)]n (dpa = 4,4’-dipyridylamine). Compound 1 possessed... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 27, 2024 Category: Chemistry Authors: Bo Zhao Source Type: research
Constructing ultra-stable and high-performance zinc-ion batteries through Mn doped vanadium oxide nanobelt cathode
CrystEngComm, 2024, Accepted Manuscript DOI: 10.1039/D3CE01271A, PaperFang Hu, Tiantian Wang, Yapeng Yuan, Mengwei Chang, Yue Zhang, Junhua You As a promising candidate after lithium-ion batteries, rechargeable aqueous zinc ion batteries (AZIB) are incremental attention due their high energy density, high safety, low costs and environmental friendliness. In this... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 27, 2024 Category: Chemistry Authors: Fang Hu Source Type: research
Crystal structure analysis of helix-turn-helix type motifs in α,γ-hybrid peptides
In this study, we present a series... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 27, 2024 Category: Chemistry Authors: Sachin A. Nalawade Source Type: research
Optimization of the process parameters for the AlN crystal growth in the PVT method through an improved numerical simulation considering partial pressure of gas phases
CrystEngComm, 2024, Advance Article DOI: 10.1039/D3CE01045G, PaperC. J. Peng, X. G. Yao, X. Y. Miao, S. W. Chen, Q. F. Lu, X. J. Han, D. Shi, Y. L. Shao, Y. Z. Wu, X. P. Hao A novel heat sink at the top of the crucible improves the seed surface growth uniformity by 89%. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 26, 2024 Category: Chemistry Authors: C. J. Peng Source Type: research
Temperature dependent energy transfer to Eu3+ emission centres in K5Eu(MoO4)4 crystals
CrystEngComm, 2024, Accepted Manuscript DOI: 10.1039/D3CE01201H, PaperDmitry A. Spassky, Andrey Vasil'ev , Muhammad Usama Jamal, Vladimir A. Morozov, Bogdan Lazoryak, Boris S. Redkin , Kirill Chernenko, Vitali Nagirnyi Luminescence properties of a palmieirite-type K5Eu(MoO4)4 crystal were studied in a wide temperature range of 7-650 K. Eu3+ ions are shown to occupy at least three non-equivalent positions in the... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 26, 2024 Category: Chemistry Authors: Dmitry A. Spassky Source Type: research
Regulation of the structure and density of KN5 frameworks with CH3COOK and CF3COOK
CrystEngComm, 2024, Advance Article DOI: 10.1039/D3CE01210G, PaperShuaijie Jiang, Jianxin Zhou, Yuangang Xu, Qiuhan Lin, Pengcheng Wang, Ming Lu Two novel KN5 frameworks were achieved with CH3COOK and CF3COOK. The unique nanocages and channels were constructed by KN5 with CH3COOK and CF3COOK, respectively. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 25, 2024 Category: Chemistry Authors: Shuaijie Jiang Source Type: research
Practical techniques for protein crystallization: additive assistance and external field intensification
CrystEngComm, 2024, Advance Article DOI: 10.1039/D3CE00995E, HighlightYunxia Shao, Rui Han, Tiantian Tao, Jiahao Wei, Dandan Han, Huaiyu Yang, Junbo Gong Additives (ionic liquids, deep eutectic solvents, molecularly imprinted polymers) and external fields (magnetic field, electric field, ultrasonic field, shear, light field) enhance protein crystallization. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 24, 2024 Category: Chemistry Authors: Yunxia Shao Source Type: research
New drug –drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts
CrystEngComm, 2024, Advance Article DOI: 10.1039/D3CE01000G, PaperSunil Kumar Nechipadappu, Debasish Swain Eight new drug –drug/drug–nutraceutical salts of the anti-emetic drug domperidone is prepared and the structural and the physicochemical properties are evaluated. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - CrystEngComm latest articles)
Source: RSC - CrystEngComm latest articles - January 24, 2024 Category: Chemistry Authors: Sunil Kumar Nechipadappu Source Type: research
