Article
Chemistry, Multidisciplinary
Yang Liu, Ya-Ping Gong, Shining Geng, Mei-Ling Feng, Despoina Manidaki, Zeyu Deng, Constantinos C. Stoumpos, Pieremanuele Canepa, Zewen Xiao, Wei-Xiong Zhang, Lingling Mao
Summary: Ge-based hybrid perovskite materials show great potential for second harmonic generation (SHG). Newly discovered Ge-based bromide perovskite materials exhibit tunable SHG responses and the high SHG efficiency is attributed to specific structural and theoretical factors.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Fei Ge, Bo-Han Li, Puxin Cheng, Geng Li, Zefeng Ren, Jialiang Xu, Xian-He Bu
Summary: Chiral hybrid organic-inorganic metal halides (HOMHs) based on Cu-I halides were synthesized, showing well-balanced NLO performances, highly efficient SHG response, outstanding optical transparency, and high LDT. The effective second-order NLO coefficient of (R-MBA)CuBr2 is two orders of magnitude higher than that of their Cu-II counterparts.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Yoonsoo Rho, SeokJae Yoo, Daniel B. Durham, DongJun Kang, Andrew M. Minor, Costas P. Grigoropoulos
Summary: Nonlinear optical response is a useful tool for studying the properties of materials, but its weak signal and limited reach make it difficult to probe deep-subwavelength-scale nonlinear optics. In this study, we propose a new method using an SHG-active plasmonic nanotip to achieve efficient second harmonic generation (SHG) nanoscopy. Our simulations suggest that enhancing the nonlinear response of the sample or suppressing the tip's response can lead to a high near-field SHG contrast, providing evidence of quantum mechanical nonlinear energy transfer. Furthermore, this technique can be used to study nanoscale corrosion and other physicochemical phenomena.
Article
Materials Science, Multidisciplinary
Mingyang Xin, Puxin Cheng, Xiao Han, Rongchao Shi, Yongshen Zheng, Junjie Guan, Hexuan Chen, Chao Wang, Yuhan Liu, Jialiang Xu, Xian-He Bu
Summary: This study synthesized hybrid chiral organic-inorganic perovskite materials using naturally abundant amino acids, demonstrating resonance enhanced second-harmonic generation. The crystals of these materials possess balanced nonlinear optical performances. This work showcases the potential of naturally abundant amino acids for the construction of next generation optoelectronic materials.
ADVANCED OPTICAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Fei Ge, Puxin Cheng, Quanwen Li, Jialiang Xu, Xian-He Bu
Summary: In this study, two new chiral noncentrosymmetric hybrid organic-inorganic metal halide crystals, (2-FPEA)(2)SbCl5 and (2-FPEA)(2)SbBr5, were synthesized with large polarization ratios and outstanding optical transparency. Their second-order nonlinear optical coefficients were determined to be 24.3 and 21.6 pm V-1, respectively. Furthermore, these Sb3+-based metal halides exhibited high thermal stability and laser resistance, with laser-induced damage thresholds higher than previously reported hybrid organic-inorganic metal halides. These findings indicate the promising future of Sb3+-based metal halides for nonlinear photonic applications.
ADVANCED OPTICAL MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Siming Qi, Fei Ge, Xiao Han, Puxin Cheng, Rongchao Shi, Chao Liu, Yongshen Zheng, Mingyang Xin, Jialiang Xu
Summary: This study synthesized a pair of new zero-dimensional chiral hybrid indium halides and investigated their NLO properties, revealing strong SHG responses and high laser damage thresholds in these crystals.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Xiaodi Jia, Yongshen Zheng, Puxin Cheng, Xiao Han, Liang Xu, Jialiang Xu
Summary: Hybrid organic-inorganic metal halides (HOMHs) with tunable structures and remarkable optoelectronic properties have attracted significant research interest. Chiral HOMHs, in particular, have shown promising applications in second-order nonlinear optics (NLO) due to their inherent noncentrosymmetric structures. In this study, we synthesized two new chiral HOMHs, (S-/R-2-C5H14N2)(2)PbI6, using chiral amines derived from S-/R-2-methylpiperazine. These compounds exhibit a band gap close to 2.9 eV and possess high phase purity as well as environmental and thermal stability. Circular dichroism (CD) spectroscopy confirmed the chiral optical properties induced by the chiral organic cations in (S-/R-2-C5H14N2)(2)PbI6. Moreover, these HOMHs materials demonstrated a strong second harmonic generation response with a large laser damage threshold (about 2.97 mJ cm(-2)), thus showing promising potential for applications in NLO photonic devices.
DALTON TRANSACTIONS
(2022)
Article
Materials Science, Multidisciplinary
Yongshen Zheng, Jialiang Xu, Xian-He Bu
Summary: Chiral lead halide perovskites, particularly (R/S-2-MPD)PbBr3, show promising potential in second-order optical nonlinearity with large coefficient, wide transparency, high damage threshold, and stable properties, making them suitable for advanced photonics devices in the future.
ADVANCED OPTICAL MATERIALS
(2022)
Article
Optics
Zelin Hao, Wenwei Liu, Zhancheng Li, Zhi Li, Guangzhou Geng, Yanchun Wang, Hua Cheng, Hammad Ahmed, Xianzhong Chen, Junjie Li, Jianguo Tian, Shuqi Chen
Summary: Metasurfaces have shown great potential in optical wave manipulation but face challenges in multidimensional manipulation of harmonic waves generated by nonlinear metasurfaces. This study presents an efficient design strategy based on the hydrodynamic model of free electron dynamics, allowing for full complex-amplitude modulation of second harmonic generation. The proposed nonlinear metasurfaces demonstrate spin-selective SHG optical vortices with independent topological charges, opening up new possibilities for nonlinear metasurface applications in optical information and multifunctional integration.
LASER & PHOTONICS REVIEWS
(2021)
Article
Chemistry, Physical
Yinglei Han, Xin Zhao, Feng Xu, Bingxuan Li, Ning Ye, Min Luo
Summary: A mercury-based sulfate nonlinear optical (NLO) material, HgSO4, was successfully synthesized using a hydrothermal method. It exhibits remarkable second harmonic generation (SHG) efficiency and optical properties, making it a promising candidate for mid-infrared NLO crystal applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Nanoscience & Nanotechnology
Jicheng Jin, Jian Lu, Bo Zhen
Summary: Second harmonic dipoles generated in a nonlinear photonic crystal slab can be completely nonradiative, resulting in no energy transfer from the fundamental frequency to the second harmonic even when the phase-matching condition is satisfied - a phenomenon known as resonance-forbidden second-harmonic generation. Through numerical simulation, two mechanisms for achieving this phenomenon have been identified: symmetry protection and parameter tuning. The finite-size effect and the topological origin of this phenomenon are also discussed.
Article
Materials Science, Multidisciplinary
Fan Yang, Cristian Ciraci
Summary: We present a theoretical study on second-harmonic generation from a singular metasurface, which strongly interacts with incident light and generates intense surface polarization, resulting in the generation of second-harmonic field. By using transformation optics, the calculation of nonlinear optical response is simplified, and the dependence on the incident angle is weak, making it potentially useful for all-angle harmonic generation. Furthermore, we investigate the symmetry dependence of second-harmonic generation in the far field and demonstrate an enhanced conversion efficiency under normal incidence by breaking the surface inversion symmetry.
Article
Mathematics
Yernat M. Assylbekov, Ting Zhou
Summary: In this paper, an inverse boundary value problem of electromagnetism with nonlinear Second Harmonic Generation (SHG) process is considered. The unique determination of the electromagnetic material parameters and the SHG susceptibility parameter of the medium is shown by making electromagnetic measurements on the boundary. The case of interest is when a frequency is fixed.
JOURNAL OF DIFFERENTIAL EQUATIONS
(2021)
Article
Chemistry, Multidisciplinary
Zhihang Guo, Junzi Li, Changshun Wang, Rulin Liu, Jiechun Liang, Yang Gao, Jiaji Cheng, Wenjing Zhang, Xi Zhu, Ruikun Pan, Tingchao He
Summary: Hybrid organic-inorganic metal halides incorporating chiral organic molecules have been studied for their unique optical properties, leading to the synthesis of chiral hybrid copper halides. The chiral materials showed giant optical activity and highly efficient second harmonic generation, providing insights into the design of chiral materials for nonlinear photonic device applications.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Chao Wu, Xingxing Jiang, Lin Lin, Yilei Hu, Tianhui Wu, Zheshuai Lin, Zhipeng Huang, Mark G. Humphrey, Chi Zhang
Summary: The study presents the synthesis of a polar NLO vanadate Cs4V8O22 (CVO) with excellent optical properties and strong second-harmonic generation effects achieved through hydrothermal synthesis.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Samia Chouchene, Khaled Jaouadi, Tahar Mhiri, Nabil Zouari, Abdelaziz Daoud
Article
Crystallography
K. Jaouadi, N. Zouari, T. Mhiri
Article
Chemistry, Physical
Ines Ben Hadj Sadok, Fadhel Hajlaoui, Hanen Ben Ayed, Nasreddine Ennaceur, Moncef Nasri, Nathalie Audebrand, Thierry Bataille, Nabil Zouari
JOURNAL OF MOLECULAR STRUCTURE
(2018)
Article
Chemistry, Physical
M. Belhaj Salah, N. Nouiri, K. Jaouadi, T. Mhiri, N. Zouari
JOURNAL OF MOLECULAR STRUCTURE
(2018)
Article
Chemistry, Physical
Ines Ben Hadj Sadok, Fadhel Hajlaoui, Karim Karoui, Nathalie Audebrand, Thierry Roisnel, Nabil Zouari
JOURNAL OF MOLECULAR STRUCTURE
(2019)
Article
Chemistry, Multidisciplinary
Ines Ben Hadj Sadok, Fadhel Hajlaoui, Karim Karoui, Nathalie Audebrand, Thierry Roisnel, Nabil Zouari
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2019)
Article
Chemistry, Applied
Fadhel Hajlaoui, Nathalie Audebrand, Thierry Roisnel, Nabil Zouari
APPLIED ORGANOMETALLIC CHEMISTRY
(2020)
Article
Geosciences, Multidisciplinary
Hamdi Sadok, Ahmed Wali, Samir Mseddi, Nabil Zouari
ARABIAN JOURNAL OF GEOSCIENCES
(2019)
Article
Chemistry, Inorganic & Nuclear
Farah Akrout, Fadhel Hajlaoui, Karim Karoui, Nathalie Audebrand, Thierry Roisnel, Nabil Zouari
JOURNAL OF SOLID STATE CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Maroua Ben Haj Salah, Nicolas Mercier, Jens Dittmer, Nabil Zouari, Chiara Botta
Summary: Hybrid perovskite composites exhibit highly sensitive and reversible mechanochromic luminescence, displaying tunable color emission upon mechanical strain through energy transfer and funneling processes. This opens up new possibilities for applications in mechanosensors, security papers, and optical storage.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Afef Shili, Awatef Ayadi, Said Taboukhat, Nabil Zouari, Bouchta Sahraoui, Abdelkrim El-Ghayoury
JOURNAL OF MOLECULAR STRUCTURE
(2020)
Article
Chemistry, Inorganic & Nuclear
Alla Skorokhod, Feten Hleli, Fadhel Hajlaoui, Karim Karoui, Magali Allain, Nabil Zouari, Nicolas Mercier
Summary: A new iodobismuthate organic-inorganic perovskite structure and electrical properties have been studied, revealing a change in conduction mechanism above 390 K transition temperature.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
S. Aydi, W. Cherif, F. Khammassi, A. J. M. Sales, N. M. Ferreira, N. Zouari
Summary: Polycrystalline La0.65Ca0.25Sr0.1MnO3 manganite was prepared by the sol-gel method, and the single-phase compound exhibited semiconductor behavior, with conduction mechanism governed by grain boundaries. Structural and electrical analyses were carried out, revealing transport properties dominated by thermally activated small polaron jumping and Mott-variable range hopping processes at different temperatures.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2021)
Article
Chemistry, Inorganic & Nuclear
Feten Hleli, Nicolas Mercier, Maroua Ben Haj Salah, Nabil Zouari, Chiara Botta
Summary: The mechanochromic luminescence properties of composites based on 3D perovskites MAPbBr(3) and 2D halide perovskites are reported. The composites exhibit sensitive mechanochromic luminescence due to energy transfer from multilayered perovskites formed at the interface. The activation of 3D emission is supported by the presence of larger 2D/3D interface areas in the composite thin films.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Xinlei Chen, Shiyi Chen, Xuele Lin, Jingxuan Zhou, Xingjun Gao, Yaoqi Zhen, Xiaodan Ma, Shouwen Jin, Linfang Shi, Hui Liu, Daqi Wang
Summary: Nine mixed-ligand Cd2+ complexes with different geometric structures were synthesized and characterized. The complexes exhibit various coordination modes and form both intra- and intermolecular hydrogen bonds.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Rupali Mahajan, Abhishek Sharma, Bhagyashree Patra, Lijo Mani, Parul Grover, Sandeep Kumar, Santosh Kumar Guru, Gananadhamu Samanthula, Amol G. Dikundwar, Amit Asthana
Summary: This research article provides a comprehensive characterization and toxicological assessment of a photoisomeric impurity of the antianemic drug Roxadustat. The impurity has a distinct structure compared to the drug and its formation due to light exposure is a concern. Through various experiments, including single crystal XRD, physicochemical characterization, and in vitro cytotoxicity assays, the researchers confirmed the structure of the impurity, evaluated its conversion with Roxadustat, and assessed its toxicological activity. These findings contribute to the understanding of drug stability, safety, and formulation development.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Laila S. Alqarni, Azzah M. Alghamdi, Nuha Y. Elamin, A. Rajeh
Summary: The solution casting method was used to produce a new type of nanocomposites made of chitosan, gelatin, and co-doped ZnO nanoparticles. The addition of 3.5% co-doped ZnO nanoparticles improved the physicochemical characteristics and antimicrobial effects of the nanocomposites, indicating their significant potential in food packaging and energy storage.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ruchi Gaur
Summary: The structure and intermolecular interactions of a newly synthesized bis-chalcone THXA were studied using experimental and computational methods. The importance of non-covalent interactions such as pi center dot center dot center dot pi, C-H center dot center dot center dot S, and C-H center dot center dot center dot pi was revealed.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Andrii Bazylevich, Leonid Patsenker, Sarit Aviel-Ronen, Gary Gellerman
Summary: Drug combination therapy is commonly used for treating various skin disorders, but its effectiveness is often limited. In this study, researchers synthesized conjugates of anti-pigmenting drugs and hyaluronic acid (HA) to improve treatment efficacy. These HA-drug conjugates exhibited measurable drug release profiles and demonstrated superior depigmentation effects compared to control groups in a swine model.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Xiaodan Ma, Xinlei Chen, Yaoqi Zhen, Xunjie Zheng, Chengzhe Shi, Shouwen Jin, Bin Liu, Bin Chen, Daqi Wang
Summary: Cocrystallization experiments between minoxidil and aryl acids coformers resulted in the successful formation of multi-component samples. The nature of these samples was determined using various techniques and their structural and supramolecular aspects were investigated. The outcomes revealed the importance of nonbonding contacts and different types of interactions in stabilizing and expanding the crystal structures.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Najla A. Alshaye, Magdy A. Ibrahim, Al-Shimaa Badran
Summary: The chemical behavior of 3-substituted-6,8-dimethylchromones towards phenylhydrazine was examined. Different reaction conditions produced various products, and the molecular geometries and reactivity descriptors of the compounds were also investigated. The results suggest that these compounds are suitable for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Hayette Alliouche, Houria Bouria, Rafik Bensegueni, Mounia Guergouri, Abdelmalek Bouraiou, Ali Belfaitah
Summary: In this paper, a combined experimental and theoretical study was conducted to synthesize and characterize new 2-quinolone-piperidine and -morpholine hybrids. The results from experiments were validated using computational calculations, and the affinity between these compounds and Acetylcholinesterase/Butyrylcholinesterase was estimated through molecular docking.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Wei-Min Chen, Juan-Juan Shao, Yi Zhang, Zhen-Dong Xue, Peng-Lai Liu, Jian-Ling Ni, Li-Zhuang Chen, Qiang Gao, Fang-Ming Wang
Summary: This study synthesized and characterized a novel Mn-based LMOF, and achieved good results in detecting heavy metal Al3+ in water, showing good stability, high selectivity and sensitivity. This provides new insights into the potential applications of Mn-based MOFs in chemical sensing.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Jun-Xia Li, Yi-Jing Lu, Ke-Ying Quan, Li-Bing Wu, Xun Feng, Wei-Zhou Wang
Summary: This study synthesized two cobalt(II) complexes and analyzed their crystal structures using single-crystal X-ray diffraction. The results showed that the crystal structures of these complexes were different, and they exhibited different crystal packing and magnetic properties.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Yang Li, Yan Zhang, Hong Xu, Min Li, Zhen Li, Zi-yu Song, Ji-shi Chen, Yan-Jun Liu, Yong Sun, Zhao Yang
Summary: This study reports the synthesis and solid-state characterization of a new pharmaceutical cocrystal, PRO-BPE, which can enhance the solubility of the highly water-insoluble prodrug probenecid. The PRO-BPE cocrystals were found to have superior water solubility compared to pure PRO. This research provides valuable insights into improving the solubility of poorly soluble drugs.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Lucas G. B. Felicio, Bianca B. M. Vieira, Ivana S. Lula, Renata Diniz, Frank Alexis, Flavio B. Miguz, Frederico B. De Sousa
Summary: A novel spiropyran derivative was synthesized for heavy metals sensing in water. The results demonstrated that the new derivative can serve as a rapid, sensitive, and simple tool for detecting Hg2+ ions in water with high selectivity.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Junqing Meng, Jie Wang, Lijuan Wang, Chunhui Lyu, Haiyan Chen, Yingpei Lyu, Baisheng Nie
Summary: Material modification with low surface energy can achieve lower surface free energy on micro-and nano-rough structures, which is crucial for developing superhydrophobic surfaces. In this study, attapulgite (APT) was modified with alkylamine, alkylammonium salt, and stearic acid, and the interaction between low surface materials and attapulgite was explained. The results showed that the hydrophobicity of APT was significantly modified by the modifiers, and the surface free energy of the composites first decreased and then increased with increasing molecular number of low surface energy monomers.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Karan Goswami, Dipak Das, Parthasarathi Bera, Sounak Roy, Md. Motin Seikh, Prasanta Kumar Sinha, Arup Gayen
Summary: This work presents the development of a simple and highly active heterogeneous Pd catalyst for Suzuki-Miyaura carbon-carbon cross-coupling reaction. The NiPdFe-1 catalyst shows the best activity and stability among the prepared catalysts. It efficiently promotes the coupling reaction between aryl bromide and phenyl boronic acid under mild reaction conditions with high isolated yields.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ekta Pardhi, Devendra Singh Tomar, Rahul Khemchandani, Gananadhamu Samanthula, Pankaj Kumar Singh, Neelesh Kumar Mehra
Summary: The main aim of this study was to prepare a drug-drug coamorphous system to improve the physiochemical properties, solubility and stability of Apremilast and Indomethacin. Various solid-state characterization techniques were used to characterize the prepared system. Molecular level interactions were studied using molecular modeling and ATR-FTIR and 1H NMR. Solubility and dissolution studies showed the benefits of the coamorphous system. The system was found to be stable for a period of five months. Permeation study also demonstrated improved flux for both drugs compared to their crystalline forms. The coamorphous system showed anti-psoriatic and anti-melanogenic activity based on molecular docking results. Overall, the developed CAM-based supersaturated system exhibited improved physicochemical properties and physical stability.
JOURNAL OF MOLECULAR STRUCTURE
(2024)