Article
Agricultural Engineering
Yu Yin, Chunhui Ma, Wei Li, Sha Luo, Yushan Liu, Xueyun Wu, Zhenwei Wu, Shouxin Liu
Summary: The study demonstrated the efficient conversion of glucose to 5-HMF in ionic liquids with MoCl3 as catalyst under microwave irradiation, with the ionic liquid [BMIM]Cl proving to be the best solvent. Microwave irradiation not only reduced the reaction time and improved the yield of 5-HMF compared to traditional oil-bath heating, but also accelerated the bond breaking processes in the reaction.
INDUSTRIAL CROPS AND PRODUCTS
(2021)
Article
Multidisciplinary Sciences
Gaurav Yadav, Nidhi Yadav, Md Ahmaruzzaman
Summary: In this study, a solid acid catalyst was synthesized using low temperature hydrothermal carbonization method. The catalyst exhibited enhanced sulfonic active sites and high acid density, making it effective for biodiesel synthesis at low temperatures. Various techniques were used to determine the chemical composition and morphology of the catalyst. The conversion of oleic acid to methyl oleate reached 96.4% under optimized conditions, with low activation energy. The presence of porous structure and sulfonic groups contributed to the high activity of the catalyst. The synthesis of biodiesel was confirmed using GC-MS and NMR. The catalyst showed good reusability, with a high transformation rate even after four consecutive cycles.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Physical
Hansaem Jang, Jeon Ryang Lee, Su Jin Kim, Hyejeong Jeong, Sungkwan Jung, Jeong-Hyeon Lee, Jae-Cheol Park, Tae-Won Kim
Summary: The study investigates the mechanism of synthesizing nanoparticles by the combination of microwave irradiation and ionic liquids, revealing that microwave heating under specific conditions can lead to localized decomposition of ionic liquids and subsequently affect the particle aggregation behavior.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Chemistry, Physical
Thaissa S. Beck, Mara de Mattos, Carlos R. T. Jortieke, Jean C. B. Vieira, Camila M. Verdi, Roberto C. V. Santos, Michele R. Sagrillo, Aline Rossato, Larissa da Silva Silveira, Clarissa P. Frizzo
Summary: Amino acid-based ionic liquids exhibit specific properties in thermal stability, heat capacity, antimicrobial activity, and cytotoxicity. It was found in the study that amino acid-based anions can reduce the thermal stability of mono and dicationic AAILs, and AAILs with more carbon chains have lower glass transition temperature.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Thaciana Malaspina, Iuliia V. Voroshylova, M. Natalia D. S. Cordeiro, Eudes Eterno Fileti
Summary: This study investigates the structural and spectroscopic properties of amino acid ionic liquids through ab initio molecular dynamics simulations, and provides a comprehensive analysis of the differences between pure and aqueous electrolytes. The findings have important implications for further advancements in the field.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Multidisciplinary
Ayeshe Moazezbarabadi, Duo Wei, Henrik Junge, Matthias Beller
Summary: By employing amino acids as counter ions and utilizing arginine as catalyst, efficient CO2 capture and conversion to formate were achieved.
Article
Chemistry, Multidisciplinary
Nikoletta Harsagi, Betti Szollosi, Nora Zsuzsa Kiss, Gyorgy Keglevich
Summary: The optimized HCl-catalyzed hydrolysis of alkyl diphenylphosphinates showed reactivity order of Pr-i > Me > Et similar to Pr similar to Bu towards the alkyl group. The PTSA-catalyzed variation and alkaline hydrolysis are better alternatives, while transesterification only occurs in the presence of suitable ionic liquids.
GREEN PROCESSING AND SYNTHESIS
(2021)
Article
Chemistry, Multidisciplinary
Kongliang Xie, Xiang Zhuang, Xiang Luo, Zeye Jing, Xiyu Song, Aiqin Hou, Aiqin Gao
Summary: Among the materials used in biomass processing, ionic liquids (ILs) are more efficient and environmentally friendly, especially for lignin and cellulose dissolution. This study designs and fabricates IL molecules containing an extended benzene ring system, which efficiently catalyzes H2O2 to produce OH radicals and improves the dissolution of lignin in cottonseed hulls and the swelling of cotton fiber. The IL molecules exhibit strong interactions with cellulose/lignin macromolecules, reducing the activation energy of the hydrogen peroxide reaction and enabling one-step cotton cold pad-batch bleaching at room temperature.
Article
Energy & Fuels
Xiaohang Wang, Kun Yang, Rui Cai, Yujie ChenYang, Zhixing Huang, Benyong Han
Summary: Eleven ionic liquids composed of tetraethylammonium and amino acids were synthesized and evaluated for their catalytic capability in transesterification reactions. Tetraethylammonium arginine showed the highest catalytic activity. By adjusting the reaction conditions, a biodiesel conversion rate of 98.4% was achieved in 60 minutes.
Article
Chemistry, Physical
Aditya Gupta, Hemant K. Kashyap
Summary: Through simulation research, nanoscale structural organization was found in cholinium phenylalaninate ([Ch][Phe]) ionic liquid, with the intensity of the prepeak increasing as temperature rises. Hydrogen bond analysis revealed the presence of a single type of hydrogen bond in this IL, and some correlations were enhanced with increasing temperature.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Mojtaba Rezaeian, Mohammad Izadyar, Mohammad Reza Housaindokht
Summary: The thermal decomposition mechanisms of amino acid ionic liquids (AAILs) were investigated using density functional theory. The results showed that the SN2 and alkyl rearrangement mechanisms are the most probable routes. The environment polarity plays an important role in the thermal decomposition mechanism, especially in the alkyl rearrangement route.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Review
Chemistry, Organic
Ashish Patel, Drashti Shah, Naiya Patel, Khushbu Patel, Nidhi Soni, Afzal Nagai, Umang Shah, Mehul Patel, Swayamprakash Patel, Bhargav Bhimani, Tushar Bambharoliya
Summary: Quinoxaline, a versatile heterocyclic moiety with wide biological activities, has attracted researchers’ attention for daily synthesis of derivatives. To minimize the generation of toxic organic substances, current research focuses on green synthetic approaches for quinoxaline and its derivatives. By combining recent findings with previous understanding, a comprehensive understanding of quinoxaline scaffold in medicinal chemistry can be achieved.
CURRENT ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
K. Fabitha, C. G. Arya, Munugala Chandrakanth, Janardhan Banothu
Summary: The study demonstrates the successful synthesis of two important pharmacophores using NaF as a catalyst through the multicomponent Knoevenagel-Michael reaction. The method offers simplicity, high yields, and green chemistry characteristics.
RESEARCH ON CHEMICAL INTERMEDIATES
(2023)
Article
Biochemistry & Molecular Biology
Wenzhuo Xu, Xinpei Gao, Liqiang Zheng, Fei Lu
Summary: This study modulated the aqueous phase behavior of ionic liquids by changing the cis-trans structure of the anion, demonstrating UCST and LCST phenomena. The proposed mechanism highlighted the main factors responsible for these phenomena. This phase behavior combines chemical equilibrium in a solution with the microstructure of the molecule, helpful for constructing new chemical dynamic equilibria.
Article
Chemistry, Physical
Jie-Ping Fan, Chao Yuan, Xiao-Hui Lai, Chun -Fang Xie, Hui -Ping Chen, Hai -Long Peng
Summary: Amino acid ionic liquids (AAILs) have special physico-chemical properties and significant application potential in fields such as chemistry, pharmacy, and petrochemistry.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Ali Keivanloo, Saeed Lashkari, Saghi Sepehri, Mohammad Bakherad, Sima Abbaspour
Summary: In this study, novel compounds were synthesized and evaluated for activity against bacterial strains. Molecular docking studies confirmed the binding of these compounds to key residues at the active site of dihydropteroate synthase, in agreement with biochemical and in silico studies.
JOURNAL OF THE CHINESE CHEMICAL SOCIETY
(2021)
Article
Chemistry, Organic
Hila Asham, Shahab Bohlooli, Donya Dostkamel, Sadaf Rezvanpoor, Saghi Sepehri
Summary: This study synthesized a series of compounds and evaluated their cytotoxic activity, finding two molecules with high activity against human cancer cell lines. Factors such as sulfur atom, ester chain length, and phenyl ring substitutions influenced their antiproliferative activity.
POLYCYCLIC AROMATIC COMPOUNDS
(2022)
Article
Parasitology
Behnaz Jeddi, Sedigheh Saberi, J. Carlos Menendez, Saghi Sepehri
Summary: A series of tetrahydropyrimidines and dihydropyridines bearing chloro substituent at various positions of phenyl ring in C4 were designed, synthesized, and evaluated for antileishmanial activity. The compounds showed moderate to good antileishmanial activity against both promastigote and amastigote forms of the parasite. Docking studies indicated that the compounds fit well in the PTR1 pocket, with some compounds showing higher activity than existing drugs glucantime and lower activity than amphotericin B.
ACTA PARASITOLOGICA
(2022)
Article
Chemistry, Medicinal
Behnam Mohammadi-Ghalehbin, Saghi Sepehri, Negin Nejatkhah, Sahand Safari, Zahra Hosseinali, Sahar Sabour, Nima Razzaghi-Asl
Summary: New dihydropyrimidine/thione-5-carboxylates/carboxamide derivatives were synthesized and tested for their antileishmanial activities. Compound 4 showed the most potent activity and exhibited interaction with pteridine reductase 1, a validated leishmanial target.
PHARMACEUTICAL CHEMISTRY JOURNAL
(2022)
Article
Chemistry, Medicinal
Nima Razzaghi-Asl, Sahar Mirzayi, Karim Mahnam, Vahed Adhami, Saghi Sepehri
Summary: Docking and molecular dynamics studies revealed that stable binding between selected compounds and the E6 protein of HPV-16 is determined by hydrophobic contacts and optimal hydrogen bonds. Van der Waals and non-polar interactions were found to be fundamental factors in the molecule binding.
RESEARCH IN PHARMACEUTICAL SCIENCES
(2022)
Article
Biology
Zohreh Bakherad, Hamid Bakherad, Saghi Sepehri, Mohammad Ali Faramarzi, Karim Mahnam, Somayeh Mojtabavi, Mohammad Mahdavi
Summary: In this study, the alpha-glucosidase inhibitory activity of a novel series of thiosemicarbazone-indole hybrid compounds was evaluated, followed by in silico studies on the screened compounds. The results showed that all the derivatives exhibited significant inhibitory activity, with compound 1i showing the highest potency. Molecular docking and dynamics simulations further confirmed the stability of the complexes between the screened compounds and alpha-glucosidase.
COMPUTATIONAL BIOLOGY AND CHEMISTRY
(2022)
Article
Chemistry, Medicinal
Nazli Ahangarzadeh, Neda Shakour, Sadaf Rezvanpoor, Hamid Bakherad, Mohammad H. Pakdel, Ghazaleh Farhadi, Saghi Sepehri
Summary: The synthesis of tetrahydropyrimidine derivatives with antiurease activity was reported in this study. In silico studies were performed to analyze the derivatives quantitatively and qualitatively. The compounds showed good to excellent antiurease activity, with compound 4e exhibiting the highest inhibitory activity.
ARCHIV DER PHARMAZIE
(2022)
Article
Chemistry, Organic
Ali-Reza Rezaei, Sedigheh Saberi, Saghi Sepehri
Summary: A series of 1,4-dihydropyridine derivatives were synthesized and evaluated for their activity against both promastigote and amastigote forms. The compounds showed higher activity than the reference drug amphotericin B, but lower activity than glucantime, except for compound 4e. Compound 4d showed the most potent activity against promastigotes, while compound 4e showed the most potent activity against amastigotes. The synthesized compounds were found to be non-toxic to macrophages based on CC50 results. The study highlighted the importance of the position and nature of substituents on the phenyl ring and the length of the ester group chain in influencing the biological activity of these compounds.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Review
Chemistry, Multidisciplinary
Saghi Sepehri, Mina Saeedi, Bagher Larijani, Mohammad Mahdavi
Summary: This article discusses the synthesis and inhibitory activity of benzylpyridinium salts as structural mimics of the FDA-approved drug donepezil hydrochloride for the treatment of Alzheimer's disease (AD). Through molecular docking and structure-activity relationship studies, it was found that benzylpyridinium salts linked with heterocyclic moieties exhibited potent cholinesterase inhibitory activity, suggesting their potential as lead compounds in the drug discovery of AD.
FRONTIERS IN CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Mahdieh Khalilzadeh, Sedigheh Saberi, Ghazal Noori, Mostafa Vaziri, Saghi Sepehri, Hamid Bakherad, Mahsa Esmaeili-Fallah, Sahar Mirzayi, Ghazaleh Farhadi
Summary: In this study, a series of compounds with fluoro, bromo, and nitro substituents were synthesized and evaluated for their anti-leishmanial and antimicrobial activities. Compounds 4a and 4b exhibited the highest activities against amastigote and promastigote forms of Leishmania. Compound 4a also showed strong antimicrobial activity against E. coli, P. aeruginosa, and C. albicans strains. The type and length of substituents were found to be essential for the activities of these compounds.
MOLECULAR DIVERSITY
(2023)
Article
Biochemistry & Molecular Biology
Sadaf Rezvanpoor, Neda Shakour, Nazli Ahangarzadeh, Hamid Bakherad, Saghi Sepehri, Ghazaleh Farhadi, Mohammad Hosein Pakdel, Mehrdad Iranshahi
Summary: A series of triazole-tetrahydropyrimidinone(thione) hybrids (9a-g) were synthesized and characterized. The compounds showed inhibitory activity against urease, with methyl 4-(4-((1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (9c) exhibiting the highest inhibitory activity. Docking and molecular dynamic studies revealed the interaction of compound 9c with the urease active site and important interactions with specific residues.
CHEMISTRY & BIODIVERSITY
(2023)
Article
Biochemistry & Molecular Biology
Soheila Molaei, Ghazaleh Farhadi, Mina Talezari, Negin Gholizadeh, Karim Mahnam, Ali Keivanloo, Saghi Sepehri
Summary: Novel hybrids with 1,2,3-triazole and polyhydroquinoline scaffolds were successfully synthesized by multicomponent reaction followed through click reaction. Their anti-leishmanial activity was evaluated and three hybrids showed the highest activity with low cytotoxicity. Molecular docking and dynamics simulations were performed to explore possible mechanisms.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Review
Chemistry, Medicinal
Saghi Sepehri, Mina Khedmati
Summary: Urease is a metalloenzyme that contains two Ni2+ ions and is found in plants, bacteria, fungi, microorganisms, invertebrate animals, and animal tissues. It acts as a virulence factor in conditions such as catheter blockage, infective urolithiasis, and gastric infection. This review focuses on the synthesis and antiurease activities of synthetic heterocycles, such as (thio)barbiturates, (thio)ureas, dihydropyrimidines, and triazole derivatives. It was found that linking substituted phenyl and benzyl rings to the heterocycles resulted in potent urease inhibitors.
ARCHIV DER PHARMAZIE
(2023)
Article
Chemistry, Organic
Ali Keivanloo, Sima Abbaspour, Saghi Sepehri, Mohammad Bakherad
Summary: A series of 1,3-oxazole-quinoxaline amine hybrids were synthesized and their antibacterial properties were investigated. Molecular docking study revealed the binding mode of the compounds with their target protein, and the results showed that increased lipophilicity and additional hydrogen bond characteristics are crucial for antibacterial activity.
POLYCYCLIC AROMATIC COMPOUNDS
(2022)
Article
Pharmacology & Pharmacy
Saghi Sepehri, Niloufar Hashemidanesh, Karim Mahnam, Hila Asham
Summary: This study focused on analyzing a series of compounds against SARS-CoV-2 main protease (Mpro) through in silico studies, collecting about one hundred antiviral compounds from a drug database. The results showed that four compounds (DB00224, DB00220, DB01232, DB08873) exhibited the best performance against Mpro, with stability mainly coming from Van der Waals and non-polar interactions.
PHARMACEUTICAL SCIENCES
(2021)
Article
Chemistry, Applied
Xiaodan Wu, Zihan Wang, Guansong Shao, Bingyang Qin, Ying Wang, Tao Wang, Zhiguo Liu, Yujie Fu
Summary: In this study, a new type of cellulose-based ionic imprinting adsorbent was developed for the selective removal of cobalt ions. The adsorbent exhibited excellent adsorption performance, high cycling stability, and preferential selectivity for cobalt ions. The simple preparation method and promising application prospects make it a promising candidate for water treatment.
REACTIVE & FUNCTIONAL POLYMERS
(2024)
Article
Chemistry, Applied
Chandirasekar Shanmugam, Vanitha Marimuthu, Nagappan Rajendiran
Summary: In this study, monodispersed gold and silver nanoparticles were synthesized using cholic acid functionalized star poly(DL-lactide) as a capping and reducing agent. The synthesized materials were found to be effective heterogeneous catalysts for the reduction reaction.
REACTIVE & FUNCTIONAL POLYMERS
(2024)
Article
Chemistry, Applied
Bianca-Iulia Ciubotaru, Mirela-Fernanda Zaltariov, Mihaela Dascalu, Adrian Bele, Alexandra Bargan, Maria Cazacu
Summary: Porous networks were obtained using polysiloxanes pendant functionalized with aminopropyl groups. The addition of certain substances, such as ammonium bicarbonate and acetic acid, promoted the porosity and covalent cross-linking of the polymer. The resulting materials exhibited high dielectric permittivity and significant electrical output signal when subjected to compression, making them suitable for capacitive pressure sensors.
REACTIVE & FUNCTIONAL POLYMERS
(2024)
Article
Chemistry, Applied
Mohamed A. Zein, Basim H. Asghar, Abdulaziz M. Almohyawi, Norah F. Alqahtani, Ahmed Alharbi, J. Alkabli, Reda F. M. Elshaarawy, Lamia A. Ismail
Summary: In this study, new amphiphilic chitosan-thyme extract-nanosilver nanocomposites were prepared, which synergistically inhibited bacterial biofilm formation and bacterial proliferation. The nanocomposites disrupted bacterial cell membranes, causing cell death, and prevented biofilm formation. In addition, the nanocomposites exhibited good biocompatibility, making them potential candidates for biomedical applications.
REACTIVE & FUNCTIONAL POLYMERS
(2024)
Review
Chemistry, Applied
Norah F. Alqahtani
Summary: This review explores the potential of Imidazolium-based ionic liquids (ImILs) in improving the solubility, stability, and functionality of chitosan, and provides an overview of the types and preparation methods of functionalized imidazolium ionic liquids (FImILs). Additionally, it discusses the various opportunities offered by FImIL-chitosan derivatives.
REACTIVE & FUNCTIONAL POLYMERS
(2024)
Article
Chemistry, Applied
Olesya N. Zabegaeva, Alexey F. Kosolapov, Sergei L. Semjonov, Mariam G. Ezernitskaya, Egor S. Afanasyev, Ivan A. Godovikov, Alexander Chuchalov, Dmitriy A. Sapozhnikov
Summary: Polyimides are commonly used as primary protective coatings for optical fibers in high-temperature applications. However, the manufacturing process is complicated due to certain drawbacks. This study shows the potential use of polyamide-imides as highly reliable protective coatings for optical fibers.
REACTIVE & FUNCTIONAL POLYMERS
(2024)
Article
Chemistry, Applied
Luis Miguel Nunez Tapia, Pascal Thebault, Laurent Bischoff, Alain Ledoux, Florian Defontaine, Olivier Lesouhaitier, Fabrice Burel
Summary: A water soluble cationic bis-cyclocarbonate was prepared through a three steps procedure, and non-isocyanate polyurethanes were prepared in acetonitrile with high yields. The resulting materials exhibited good thermal properties and hydrophilic properties. The polyurethane thermoset showed high inhibition towards bacteria, and the bis-cyclocarbonate oligomer was found to be harmless to organisms.
REACTIVE & FUNCTIONAL POLYMERS
(2024)
