Article
Chemistry, Inorganic & Nuclear
Pranay Sharma, Pinku Sarma, Antonio Frontera, Sahid Hussain, Akalesh K. Verma, Manjit K. Bhattacharyya
Summary: Two new coordination compounds of Ni(II) and Cu(II) have been synthesized and characterized by various methods. Compound 1 showed unconventional enclathration of 4-nitrobenzoate moieties, while compound 2 exhibited layered architecture involving enclathration of single guest water molecules.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Multidisciplinary
Sang Loon Tan, Laura N. F. Cardoso, Marcus V. N. de Souza, Solange M. S. Wardell, James L. Wardell, Edward R. T. Tiekink
Summary: The crystal of (2-thienyl)CH2CON(H)-N.C(H)Ph was found to exhibit parallel, offset pi[C(= O)N(H)N = C]...pi(phenyl) interactions alongside more conventional non-covalent interactions. Analysis of the interactions showed that the pi[C(= O)N(H)N = C]...pi(phenyl) interactions are attractive, providing an energy of association of about 15 kJ mol(-1) in the molecular packing. These interactions occur in approximately 5-6% of crystals where they can potentially occur, according to a survey of related structures in the literature.
Article
Chemistry, Physical
Jose Luis Garcia-Gutierrez, Domingo Salazar-Mendoza, Maria Eugenia Hernandez-Teran, Federico Jimenez-Cruz
Summary: A new compound was synthesized by hydrocyanation reaction under mild conditions, displaying an unexpected quasi-planar conformation with CH···O bonding and homoconjugation. Additionally, a pi-pi cofacial parallel stacked interaction was observed in the crystal structure. The molecular structure was further supported by experimental and theoretical NMR studies.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Madison R. Tuttle, Shelby T. Davis, Shiyu Zhang
Summary: Functional groups that promote hydrogen bonding and pi-pi stacking were added to improve the performance of organic electrode materials, with the QAP containing the most hydrogen bonding groups demonstrating superior performance due to strong intermolecular interactions and a tightly packed 2D structure. Evaluation of intermolecular interaction strength through NMR and NOESY spectroscopy offers a new strategy to understand and predict the performance of OEMs with hydrogen bonding motifs.
ACS ENERGY LETTERS
(2021)
Article
Multidisciplinary Sciences
Shi-Jun Wang, Long Wang, Xiang-Ying Tang
Summary: B(C6F5)(3)-H2O has been recognized as a common Bronsted acid, but the lack of X-ray crystal structure has hindered the development of a new catalytic mode. In this study, a B(C6F5)(3)-H2O and amide complex with hydrogen bonds and pi-pi interactions is characterized by X-ray diffraction. Noncovalent interactions are observed in solution and a photoredox catalysis for synthesizing a-aminoamides under mild conditions is developed based on the photoactive properties of the complex.
Article
Chemistry, Physical
Haobam Kisan Singh, Upasana Nath, Niharika Keot, Manabendra Sarma
Summary: This article investigates the noncovalent pi-pi interaction and intermolecular electron charge transport involved in host-guest complexes. The study shows that perylene and naphthalene inclusion complexes have the highest and lowest interaction energies, respectively. The conductance values of the complexes increase when the guests are embedded inside the host cavity. The study provides insights into electron transport and offers a direction for the fabrication of future supramolecular molecular devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Daniela Morales-Pumarino, Jose E. Barquera-Lozada
Summary: π-π interactions are important for biological systems and materials, but studying them is challenging. Density functional theory (DFT) fails to describe these interactions accurately, and little is known about the error in the electron density. The Non-Covalent Interaction method (NCI) has limited capability in analyzing these interactions.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2023)
Review
Chemistry, Physical
Bijun Tang, Bingyu Che, Manzhang Xu, Zhi Peng Ang, Jun Di, Hong-Jun Gao, Haitao Yang, Jiadong Zhou, Zheng Liu
Summary: This review highlights recent developments in twisted 2D transition metal dichalcogenides (TMDs), focusing on synthesis strategies, characterization techniques, physical properties, and future research directions. Researchers explore the preparation of twisted TMD bilayers and investigate their unique properties using various spectroscopic techniques, shedding light on interlayer excitons and correlated electronic phases. Challenges and potential research areas are also briefly discussed in the context of recent advancements.
Article
Biochemistry & Molecular Biology
Yanni Wang, Chaowu Dai, Wei Huang, Tingting Ni, Jianping Cao, Jiangmei Pang, Huining Wei, Chaojie Wang
Summary: The mechanism of action of ionic liquids on nucleobase's structure and properties is still limited. This study investigates the binding model of the 1-alkyl-3-methylimidazolium bromide ionic liquids to thymine in water and microhydrated environments. The results show differences in stability and cooperativity of hydrogen bonding and pi-pi(+) stacking in the growing ionic clusters. This study provides important insights into the mechanism of action of ionic liquids.
Article
Chemistry, Multidisciplinary
Yufan Zhang, Jisen Li, Jiliang Zhao, Xuefei Li, Zhimei Wang, Yicheng Huang, Hongkai Zhang, Qian Liu, Yunxiang Lei, Dan Ding
Summary: In this study, a cheap long-wavelength room-temperature phosphorescent material was constructed and successfully used for imaging atherosclerotic plaques. The material showed good tissue penetration and high signal-to-background ratio.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Pharmacology & Pharmacy
Lingling Qi, Chao Liu, Yingying Zhang, Zheao Zhang, Hongxia Duan, Heming Zhao, Xin Xin, Liqing Chen, Mingji Jin, Youyan Guan, Zhonggao Gao, Wei Huang
Summary: Micelle is commonly used for drug delivery, but faces challenges with encapsulating water-soluble drugs and maintaining stability. Fmoc-Lys-PEG and Fmoc-Lys-PEG-RGD copolymers were designed to address these issues, successfully encapsulating a water-soluble drug using hydrogen bonding. The nanoparticles showed high anti-tumor activity both in vitro and in vivo.
Article
Crystallography
Jeannette Carolina Belmont-Sanchez, Maria Eugenia Garcia-Rubino, Antonio Frontera, Josefa Maria Gonzalez-Perez, Alfonso Castineiras, Juan Niclos-Gutierrez
Summary: In this study, a polymeric compound was synthesized and studied, with in-depth characterization of its structure, thermal stability, spectral properties, and magnetic behavior. The compound exhibited complex structural features, with a loss of water molecules over a certain temperature range and specific intermolecular interactions. ESR spectra and magnetic measurements revealed non-equivalent behavior of the Cu(II) centers connected by carboxylate groups, leading to an exchange interaction larger than their individual Zeeman energies.
Article
Engineering, Mechanical
Yu Zhou, Zihan Zhou, Yanjun Shen, Qiongqiong Tang, Guansheng Han, Lingfei Zhang, Weiqiang Chen, Yuting Liu, Faquan Wu
Summary: In this study, a theoretical calculation method for the stress intensity factor (SIF) at the tips of two parallel-offset flaws under unloading conditions was proposed based on the superposition principle and the classic Kachanov method. The effect of various geometric factors on the flaw interaction was analyzed, and discrete element simulations were carried out to verify the theoretical results. These findings contribute to the understanding of the failure mechanism of fractured rock masses caused by excavation.
THEORETICAL AND APPLIED FRACTURE MECHANICS
(2023)
Article
Chemistry, Physical
T. N. Borodina, V. I. Smirnov, V. Yu. Serykh, I. B. Rozentsveig
Summary: The spatial structure characteristics of arylsulfonylamino-substituted derivatives of imidazo[2,1-b][1,3]thiazoles were studied, revealing that all molecules are closed systems with efficient intramolecular pi-stacking and compact arrangement of fragments. Weak intramolecular stacking interactions were also identified through X-ray structural analysis and QTAIM analysis. Theoretical study of the stereo electronic structure was conducted based on electron density distribution in XRD experiment, and energies of pi-stacking interaction were estimated using theoretical methods.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Geochemistry & Geophysics
Cheng Chen, Chunlin Huang, Zhihua He, Tao Liu, Xiaoji Song, Yi Su
Summary: This article proposes a clutter mitigation method for holographic subsurface radar (HSR) data to remove nonplanar surface clutter and highlight target features. The method uses dual-frequency cancellation and sparse feature enhancement to reduce clutter. Evaluation on numerical simulation and real radar signals demonstrates the effectiveness of the method in removing nonplanar surface clutter.
IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING
(2022)