Article
Biochemistry & Molecular Biology
Walid Ettahiri, Rajae Salim, Mohamed Adardour, Elhachmia Ech-chihbi, Ismaeel Yunusa, Mohammed M. Alanazi, Sanae Lahmidi, Azeddin El Barnossi, Oussama Merzouki, Abdelilah Iraqi Housseini, Zakia Rais, Abdesselam Baouid, Mustapha Taleb
Summary: The synthesis and structure determination of THTQ were conducted using spectral analysis. The antimicrobial and antifungal properties of THTQ were evaluated against bacterial and fungal strains. The corrosion inhibition potential of THTQ on mild steel was also studied. It was found that THTQ acted as a mixed-type inhibitor and formed a protective layer on the steel surface.
Article
Biochemistry & Molecular Biology
Huan Du, Muhan Ding, Na Luo, Jun Shi, Jian Huang, Xiaoping Bao
Summary: A series of novel compounds were synthesized and evaluated for their in vitro antibacterial and antifungal activities in agriculture. Some compounds displayed notable bactericidal potencies against plant pathogenic bacteria, suggesting potential applications in agriculture.
MOLECULAR DIVERSITY
(2021)
Article
Biochemistry & Molecular Biology
Alexandra E. E. Kopotilova, Tatyana N. N. Moshkina, Emiliya V. V. Nosova, Galina N. N. Lipunova, Ekaterina S. S. Starnovskaya, Dmitry S. S. Kopchuk, Grigory A. A. Kim, Vasiliy S. S. Gaviko, Pavel A. A. Slepukhin, Valery N. N. Charushin
Summary: Amino-[1,1 ']-biphenyl-containing 3-aryl-[1,2,4]triazolo[4,3-c]quinazoline derivatives with fluorescent properties were synthesized and their structures were confirmed by X-ray diffraction. The compounds exhibited non-planar structures with aryl substituents forming pincer-like conformations. The UV/Vis and photoluminescent properties were investigated in different solvents and in solid state, showing broad emission wavelengths and high quantum yields. Solvatochromic properties and aggregation-induced emission enhancement were observed for the substituted triazoloquinazolines. Moreover, changes in absorption and emission spectra were induced by trifluoroacetic acid and acidochromism was observed for some triazoloquinazoline compounds. Electronic-structure calculations were performed for the synthesized compounds.
Article
Chemistry, Multidisciplinary
Fatma M. Thabet, Kamal M. Dawood, Eman A. Ragab, Mohamed S. Nafie, Ashraf A. Abbas
Summary: A series of new compounds were synthesized and evaluated for their cytotoxicity and apoptosis-inducing ability. Among them, compound 8i showed promising anti-breast cancer activity and potential for drug development.
Article
Energy & Fuels
Chengdong Yuan, Nikolay Rodionov, Seyedsaeed Mehrabi-Kalajahi, Dmitrii A. Emelianov, Almaz L. Zinnatullin, Mikhail A. Varfolomeev, Rustem Zairov, Alexey Stepanov, Asiya R. Mustafina, Ameen Al-Muntaser, Farit G. Vagizov
Summary: In this study, γ-Fe2O3 nanoparticles with a surface free of capping ligands were synthesized successfully, and their catalytic effect on heavy oil combustion was investigated. The results showed that the combustion performance of heavy oil was significantly improved by γ-Fe2O3 nanoparticles. The reaction intervals of low temperature oxidation and high temperature oxidation shifted to lower temperature, and the effective activation energy was reduced during the whole combustion process.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Fateme Haji Norouzi, Naser Foroughifar, Alireza Khajeh-Amiri, Hoda Pasdar
Summary: The new organic-inorganic nanohybrid superparamagnetic nanocatalyst showed high efficiency and green catalytic performance for the synthesis of quinazolin-4(3H)-one derivatives through a three-component condensation reaction under microwave irradiation and solvent-free conditions. It has outstanding performance, easy operation, and can be easily recycled via magnetic separation method.
Article
Engineering, Environmental
Hui Dou, Peng Chen, Lu Hu, Chunlin He, Siping Pang
Summary: Three neutral energetic compounds with a novel oxygen-containing fused ring were synthesized and fully characterized in this study. Their detonation performances were evaluated based on their decomposition temperature, density, and impact sensitivity.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Agriculture, Multidisciplinary
Lili Dong, Shengqiang Shen, Xi Jiang, Baokang Ding, Meiling Yang, Wei Chen, Yaxin Liu, Ziyang Chen, Qingnan Cao, Yongming Gao, Shujie Ma, Lihui Zhang, Jingao Dong, Qing Yang
Summary: In this study, a novel class of OfChi-h inhibitor, triazolo-quinazolinone, was obtained through structure-based virtual screening. In vivo experiments showed that the compound could effectively inhibit the growth and development of Ostrinia nubilalis larvae, making it a promising candidate for insect growth regulators.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Yubing Liu, Jie Li, Xun Zhang, Chunlin He, Siping Pang
Summary: The design and synthesis of high-energy and high-safety energetic compounds are desired in the field of energetic materials. In this work, a new series of energetic compounds were designed and synthesized, which exhibited a good balance between energy and safety with excellent detonation performance and low mechanical sensitivity.
MATERIALS CHEMISTRY FRONTIERS
(2023)
Article
Biochemistry & Molecular Biology
Andrey Khramchikhin, Mariya A. Skryl'nikova, Iana L. Esaulkova, Ekaterina O. Sinegubova, Vladimir V. Zarubaev, Maxim A. Gureev, Aleksandra M. Puzyk, Vladimir A. Ostrovskii
Summary: This study explores the interaction system of binucleophilic compounds and propynal, leading to the development of a new method for synthesizing isomeric classes. One compound showed high selectivity against the influenza virus. Protein-ligand interaction modeling revealed that the ligand's aliphatic moiety can regulate target activity level.
Article
Chemistry, Physical
Chengming Bian, Ji Zhang, Jianfu Ma, Na Zhu, Ximei Yang, Xiang Guo, Junzhi Li, Long Lu
Summary: A new series of energetic salts based on all-carbon-nitramino-functionalized fused-triazole backbone were synthesized, exhibiting good thermostability and lower sensitivity. These salts possess fascinating detonation velocities and acceptable stabilities, making them competitive high-energy-density materials.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Medicinal
Jin-Ling Huo, Shuai Wang, Xiao-Han Yuan, Bin Yu, Wen Zhao, Hong-Min Liu
Summary: Compound 6i showed potent anti-proliferative activity against MGC-803 with good safety in vivo. Mechanistic studies revealed that 6i induced apoptosis in MGC-803 cells through multiple pathways, suggesting its potential as a template for anti-cancer agents.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Organic
Hyunjin Oh, Hyeyeon Kim, Ikyon Kim
Summary: A highly efficient and regioselective approach was developed to synthesize a novel 1,2,4-triazole-fused N-heterocyclic scaffold, pyrrolo[1,2-a][1,2,4]triazolo[3,4-c]pyrazine, through base-promoted reaction of pyrrole-2-carbonitrile-derived substrate with acyl hydrazide. This reaction involved multiple steps including enamine formation, attack on nitrile, and cyclodehydration, resulting in the sequential construction of pyrazine and 1,2,4-triazole ring systems with the formation of three C-N bonds.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Organic
Zihao Li, Kongxi Qiu, Xiao Yang, Wei Zhou, Qian Cai
Summary: A base-promoted tandem SNAr/Boulton-Katritzky rearrangement is developed for the formation of functionalized [1,2,4]triazolo[1,5-a]pyridines from 1,2,4-oxadiazol-3-amines or 3-aminoisoxazoles with 2-fluoropyridines.
Article
Chemistry, Multidisciplinary
Khaled El-Adl, Abdel-Ghany A. El-Helby, Helmy Sakr, Alaa Elwan
Summary: In this study, 17 novel [1,2,4]triazolo[4,3-a]quinoxaline derivatives were designed and synthesized as potential anticancer agents. The compounds were evaluated for their activities against HepG2, HCT-116, and MCF-7 cancer cell lines, with compound 12(d) showing the highest potency. Molecular docking studies were conducted to investigate the binding modes of the compounds with the DNA active site, and the data obtained from these studies correlated well with the biological testing results.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Environmental Sciences
Parastou Azizi, Mostafa Golshekan, Shahab Shariati, Jalal Rahchamani
ENVIRONMENTAL MONITORING AND ASSESSMENT
(2015)
Article
Chemistry, Multidisciplinary
Naghi Saadatjoo, Mostafa Golshekan, Shahab Shariati, Parastou Azizi, Firouzeh Nemati
ARABIAN JOURNAL OF CHEMISTRY
(2017)
Article
Chemistry, Applied
Reyhaneh Pourhasan-Kisomi, Farhad Shirini, Mostafa Golshekan
APPLIED ORGANOMETALLIC CHEMISTRY
(2018)
Article
Chemistry, Multidisciplinary
Mostafa Golshekan, Farhad Shirini
RESEARCH ON CHEMICAL INTERMEDIATES
(2018)
Article
Chemistry, Multidisciplinary
Mahdieh Haghighat, Farhad Shirini, Mostafa Golshekan
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
(2019)
Article
Polymer Science
Mostafa Golshekan, Farhad Shirini
JOURNAL OF APPLIED POLYMER SCIENCE
(2019)
Article
Chemistry, Multidisciplinary
Reyhaneh Pourhasan-Kisomi, Farhad Shirini, Mostafa Golshekan
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
(2019)
Article
Chemistry, Multidisciplinary
Mahdieh Haghighat, Mostafa Golshekan, Farhad Shirini
Article
Chemistry, Physical
Mahdieh Haghighat, Farhad Shirini, Mostafa Golshekan
Article
Chemistry, Multidisciplinary
Mahdieh Haghighat, Karen Leus, Farhad Shirini, Pascal Van Der Voort
Summary: By clicking a Salen ligand onto a thiol-ethane bridged periodic mesoporous organosilica (Salen-PMO) through a photo-initiated thiol-ene click reaction, a functionalized PMO material with excellent CO2 uptake capacity was obtained. Furthermore, a heterogeneous catalyst formed by coordinating a MoO22+ complex onto the Salen-PMO material exhibited good catalytic performance in the epoxidation of cyclohexene.
CHEMISTRY-AN ASIAN JOURNAL
(2021)
Article
Chemistry, Applied
Hassan Kefayati, Mostafa Golshekan, Shahab Shariati, Mahsa Bagheri
CHINESE JOURNAL OF CATALYSIS
(2015)
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)