Article
Chemistry, Multidisciplinary
Jet Yeo, Ludmila Peeva, Seoyeon Chung, Piers Gaffney, Daeok Kim, Carla Luciani, Sergey Tsukanov, Kevin Seibert, Michael Kopach, Fernando Albericio, Andrew Livingston
Summary: A one-pot liquid phase peptide synthesis was reported, which involved iterative addition of amino acids to a nanostar support and isolation of the growing peptide using organic solvent nanofiltration (OSN) after each synthesis cycle. The use of a three-armed and monodisperse nanostar support enabled efficient nanofiltration and real-time monitoring of each process cycle. This method allowed for more efficient peptide synthesis while maintaining the benefits of liquid phase synthesis.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Mohadeseh Akbarian, Esmael Sanchooli, Ali Reza Oveisi, Saba Daliran
Summary: A new Zr-based MOF, UiO-66-Urea, was synthesized through polymerization and post-synthetic coating with choline chloride to form ChCl@UiO-66-Urea, which exhibited superior catalytic activity in the synthesis of biologically active compounds under solvent-free conditions. The interaction between UiO-66-Urea and ChCl led to a synergistic effect, enhancing the overall catalytic performance of the solid material.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Organic
Helen A. Goulart, Daniela R. Araujo, Angelita M. Barcellos, Raquel G. Jacob, Eder J. Lenardao, Gelson Perin
Summary: An efficient, transition-metal-free, and practical one-pot sequential method for the synthesis of organochalcogenyl isoquinolinium imides was reported. The method showed good yields and short reaction times and could be applied to the synthesis of various organoselanyl and organosulfur imides.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Vu Thanh Nguyen, Hai Truong Nguyen, Phuong Hoang Tran
Summary: The multicomponent synthesis of 1-amidoalkyl naphthols and polyhydroquinolines catalyzed by a deep eutectic solvent ([CholineCl][ZnCl2](3)) offers an atom-economic procedure with mild reaction conditions and recyclability. The mechanism was studied using HRMS (ESI) and the solvent showed high catalytic activity with good selectivity towards desired products.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Organic
Lorena S. R. Martelli, Otavio A. M. da Silva, Julio Zukerman-Schpector, Arlene G. Correa
Summary: This work presents a simple one-pot diastereoselective synthesis of new gamma-lactams from ketoaziridines via the Horner-Wadsworth-Emmons reaction, followed by intramolecular ester-aziridine cyclization and its in situ opening. The method provides new gamma-lactams in moderate to good yields, and initial efforts towards an enantioselective version are reported.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Levente Cseri, Sushil Kumar, Peter Palchuber, Gyorgy Szekely
Summary: This study establishes a comprehensive database by investigating the 1H and 13C NMR chemical shifts of 42 green solvents, acids, and bases in eight NMR solvents. The results are combined with earlier reports to create an online interface for easy identification of residual impurities in NMR spectra.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Morteza Hasanpour Galehban, Behzad Zeynizadeh, Hossein Mousavi
Summary: In this study, a novel nanocomposite was prepared using a convenient one-pot multi-component sequential strategy, and nickel(II) nanoparticles were encapsulated within the nanocomposite. The structure of the nanocomposite was characterized using various techniques. The catalytic applications of the nanocomposite were evaluated in the green one-pot synthesis of diverse heterocyclic frameworks, demonstrating good yields and satisfactory reusability.
Article
Chemistry, Analytical
Yuanfei Liu, Sunqi Shang, Wanjiao Wei, Yuefei Zhang, Wei Chen, Sheng Tang
Summary: In this study, an IL modified COF bonded silica composite material (IL-COF@SiO2) was successfully synthesized using a deep eutectic solvent as the reaction medium instead of organic solvent. The IL-COF@SiO2 composite material combines the separation ability of COF and the mass transfer function of porous silica. The introduction of IL provides better separation performance, demonstrating potential as a versatile liquid chromatographic separation material.
ANALYTICA CHIMICA ACTA
(2023)
Article
Agricultural Engineering
Weixian Wang, Yi Kong, Jianjun Peng, Bin Li, Huanfei Xu
Summary: This paper studied the solubilization effect of three ionic liquids and three choline chloride-based deep eutectic solvents for xylan using molecular dynamics method. The results showed that all six solvents had good solubility for xylan and the solubilization mechanisms of the two green solvents were similar, based on the strong hydrogen bond between the anion and the hydroxyl group on the xylan model. The addition of water formed a new hydrogen bonding network, which enhanced the interaction of xylan with choline chloride/urea and promoted dissolution.
INDUSTRIAL CROPS AND PRODUCTS
(2022)
Article
Chemistry, Organic
Alagesan Balasubramani, Anilkumar Gunnam, Goverdhan Mehta
Summary: A one-pot synthesis of 2-azaflorenones was discovered, involving the Michael addition, orthogonal aldol reaction, dehydrative isomerization, and a 6-endo-dig-cyclization cascade. The synthesis was triggered by in situ generated ammonia in the presence of a Cu(I) catalyst and its generality was investigated. The resulting 2-azaflorenones showed enhanced functionality in their core structure. Overall, this method allows for the formation of five new bonds in one pot and exhibits green and sustainable features.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Zainab Ehsani-Nasab, Ali Ezabadi
Summary: In this paper, an interesting Bronsted acidic dicationic ionic liquid based on piperazine was synthesized and its structure was confirmed using various techniques. The catalytic activity of this molecule in xanthene synthesis was examined, showing advantages such as high yield, short reaction time, easy recovery and reusing of the catalyst.
RESEARCH ON CHEMICAL INTERMEDIATES
(2022)
Article
Chemistry, Multidisciplinary
Marta Piquero, Cristina Font, Natalia Gullon, Pilar Lopez-Alvarado, J. Carlos Menendez
Summary: A sustainable and efficient mechanochemical method was developed for the synthesis of bis-indolylquinones, which showed shorter reaction times and better environmental friendliness compared to solution chemistry.
Review
Chemistry, Multidisciplinary
Hansal Kumar, Rudradip Das, Asmita Choithramani, Astha Gupta, Datta Khude, Gourav Bothra, Amit Shard
Summary: Pyrazolopyrimidine and its isoforms play a significant role in medicinal chemistry, offering proven dominance in modulation of biological receptors. Sustainable synthesis of pyrazolopyrimidines integrating green chemistry principles is challenging yet considered the most appropriate way. Various methods including green solvents, catalyst-free reactions, and analysis techniques like 2D NMR have been explored for the synthesis and confirmation of these compounds.
Article
Chemistry, Applied
Yi-En Liang, Chih-Yu Kan, Balaji D. Barve, Yao-Haur Kuo, Hsu-Wei Fang, Wen-Tai Li
Summary: A microwave-assisted, base-promoted, tandem cyclization reaction strategy has been developed for the synthesis of cyclohepta[b]chromones and spiro cyclohepta[b]chromones. This metal-free protocol enables efficient synthesis of diversified cycloheptane-annelated chromones in one-pot reactions, producing a polycyclic ring with a new C-C bond and a new C-O bond.
ADVANCED SYNTHESIS & CATALYSIS
(2022)
Article
Chemistry, Inorganic & Nuclear
Pouya Ghamari Kargar, Ghodsieh Bagherzade, Hamid Beyzaei, Soheila Arghavani
Summary: In this study, a new Mn-based metal-organic framework [UoB-6] was successfully synthesized, and its structure was confirmed by various analysis methods. The aerobic oxidative domino reaction using UoB-6 catalyst yielded xanthene derivatives in good yields. Molecular docking calculations revealed that the newly synthesized xanthene-based bis-aldehydes showed potent HDAC1 inhibitory activity. Additionally, the inhibitory effects of Mn-MOF nanoparticles on Escherichia coli and Candida albicans were evaluated.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Rajalaxmi Sahoo, C. Reshma, D. S. Shankar Rao, C. V. Yelamaggad, S. Krishna Prasad
Summary: This study investigates the influence of the flexible spacer parity of a guest photoactive liquid crystalline dimer on the photonic bandgap features of the cholesteric and twist grain boundary smectic C phases of the host molecule. The results show that the parity of the photoactive dimer affects the width of the photonic bandgap and the blue-shift of the cholesteric phase. Additionally, the parity of the dimer also affects the layer spacing and two-dimensional periodicity of the liquid crystalline phases.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Sara Rozas, Alberto Gutierrez, Mert Atilhan, Alfredo Bol, Santiago Aparicio
Summary: This study presents a multiscale theoretical investigation on the use of bifunctional hydrophobic Deep Eutectic Solvent for carbon capture using tetrapropylammonium chloride, acetic acid, and ethanolamine. The characterization includes nanoscale analysis of CO2 absorption mechanisms and changes in liquid phase properties during gas capture.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Tabouli Eric Da-yang, Alhadji Malloum, Jean Jules Fifen, Mama Nsangou, Jeanet Conradie
Summary: In this study, the potential energy of different glycine tautomers and their interaction with Cu2+ cations was investigated. The results showed that the solvation medium and the presence of Cu2+ cations influenced the stability of glycine tautomers.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Xiaoliang Gou, Nan Ye, Qingqing Han, Junjie Cui, Long Yi Jin
Summary: In this study, amphiphilic rod-coil molecules with rigid DSA parts and flexible oligoether chains were designed and their assembly capacities were investigated. The morphology of the molecular aggregates was influenced by the pH of the solution and UV light, and the aggregates showed adsorption capacity for nitroaromatic compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Shuang Liu, Liyan Shan, Cong Qi, Wenhui Zhang, Guannan Li, Bei Wang, Wei Wei
Summary: Optimizing the design of styrene-butadiene-styrene copolymer (SBS) is crucial for producing cost-effective SBS modifiers and improving road quality. This study examined the influence of SBS content and molecular structure on viscosity and compatibility. The results showed that the viscosity contribution of SBS is determined by its molecular structure and phase morphology.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Artem A. Petrov, Ekaterina A. Titova, Aydar A. Akhmadiyarov, Ilnaz T. Rakipov, Boris N. Solomonov
Summary: This work focuses on the thermochemistry of solvation of azeotropes. The enthalpies of dissolution of azeotropes in different mediums were determined, and the impact of the structure of the azeotropes on their properties in solution was discussed. A correlation between enthalpies of solvation and molar refraction was used to determine the vaporization enthalpies of azeotropes for the first time. The results were found to be consistent with literature data, obtained using direct and calculated methods. These findings contribute to the analysis of the structure-property relationships of azeotropes.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
L. V. Kamaeva, E. N. Tsiok, N. M. Chtchelkatchev
Summary: Understanding the correlations between liquids and solids allows us to predict the thermodynamic parameter range favorable for the formation of intriguing solid phases by studying liquids. In this study, we experimentally and theoretically investigated an Al-Cu-Co system within different composition ranges, and identified high-temperature solid phases. Our findings demonstrated the correlation between the boundaries of different solid phases and undercooling and viscosity in the concentration area.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
R. Aneesh Kumar, S. Jamelah Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Nivedita Acharjee, Renjith Thomas, Renjith Raveendran Pillai, T. L. Leena
Summary: In this study, the interactions between doped and pristine coronenes and adenine nucleobases were investigated using Density Functional Theory. The optimal configurations, adsorption energies, charge transfer, and electrical properties of each complex were calculated. It was found that doped coronene had stronger adsorption strength and charge transfer compared to pristine coronene. The stability of the complexes was attributed to non-covalent interactions in the interactive region. The change in electrical conductivity of coronenes after adsorption suggested their sensitivity towards DNA bases. The predicted energy gap and prolonged recovery time for adenine-coronene configurations indicated the potential application of pristine/doped coronene in DNA detection.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Gang Zhou, Yongwei Liu, Biao Sun, Zengxin Liu, Cuicui Xu, Rulin Liu, Qi Zhang, Yongmei Wang
Summary: The CFD-DEM method was used to simulate the dust deposition pattern in the bronchus of anchor digging drivers, revealing the highest dust concentration in the vortex region of the working face. The study also found a positive correlation between dust particle diameter and bronchial deposition rate, and a negative correlation with alveolar deposition rate.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Yan Zhang, Yafei Luo, Lingkai Tang, Mingyan E, Jianping Hu
Summary: This study investigates the effects of different transition metal decorations on B12N12 nanocages on the adsorption properties of nitrosourea drugs using computational methods. The results reveal the presence of weak non-covalent interactions between metals and nanocages, and the interaction between drugs and nanocages plays a significant role in drug adsorption. Compared to free drugs, the adsorption of drugs on nanocages can facilitate electron transfer, reduce energy gaps and chemical hardness, indicating activity at the target site.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Hongyan Huang, Chunquan Li, Siyuan Huang, Yuling Shang
Summary: This study examines the sensitivity of the thermal conductivity of water-based alumina nanofluids to changes in concentration, sphericity, and temperature. The results show that volume fraction and temperature have a significant impact on the thermal conductivity, while sphericity also needs to be considered. A support vector machine regression model was created to analyze the sensitivity of the thermal conductivity to different parameters. The findings indicate that temperature, sphericity, and volume fraction are the most sensitive variables.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Correction
Chemistry, Physical
V. M. Pergamenshchik, T. Bryk, A. Trokhymchuk
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Valentyn Rudenko, Anatolii Tolochko, Svitlana Bugaychuk, Dmytro Zhulai, Gertruda Klimusheva, Galina Yaremchuk, Tatyana Mirnaya, Yuriy Garbovskiy
Summary: This paper reports on the synthesis, structural characterization, spectral and nonlinear-optical properties of glass nanocomposites made of glass forming ionic liquid crystals and nanoparticles. The study reveals that by exciting the nanocomposites within their absorption band, a control over effective optical nonlinearities can be achieved, allowing the modification of the magnitude and sign of the effective nonlinear absorption coefficient. The proposed strategy using metal-alkanoates based glass-forming ionic liquid crystals and nanoparticles shows great potential for the development of nanophotonics and plasmonics technologies.
JOURNAL OF MOLECULAR LIQUIDS
(2024)