Article
Chemistry, Physical
Italo Lacerda Fernandes, Danns Pereira Barbosa, Sergio Botelho de Oliveira, Valdeir Antonio da Silva, Marcelo Henrique Sousa, Marly Montero-Munoz, Jose A. H. Coaquira
Summary: The study demonstrates that the double-coated magnetic nanoparticles nanocomposites exhibit excellent photocatalytic activity with strong degradation capability against methylene blue dye, as well as high stability. These nanocomposites have great potential for applications in wastewater treatment and purifying contaminants.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Qi Zhang, Liangyun Yu, Bairen Yang, Chenchen Xu, Wang Zhang, Qi Xu, Guowang Diao
Summary: In this study, a Fe3O4@Ru-doped TiO2 photocatalyst was successfully developed using a simple chemical strategy. The sample with 0.2% Ru doping exhibited the best photocatalytic activity, degrading 70.20% of methylene blue after 120 minutes of simulated sunlight exposure, and maintaining good degradation efficiency and recovery after 5 cycles. The Ru doping was found to reduce the band gap energy, facilitate the generation of electron-hole pairs, and enhance carrier separation efficiency, highlighting the potential for simple preparation of recoverable photodegradation catalysts for environmental organic pollutants.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Chemistry, Physical
Thieu Quang Quoc Viet, Vu Hoang Khoi, Nguyen Thi Huong Giang, Hoang Thi Van Anh, Nguyen Minh Dat, Mai Thanh Phong, Nguyen Huu Hieu
Summary: Zinc oxide and titanium dioxide co-doped reduced graphene was synthesized for effective treatment of methylene blue solution. The optimal conditions resulted in a high efficiency of MB treatment and significant potential for dye treatment in industrial effluent. The synthesized materials followed pseudo-second-order kinetics for MB adsorption and pseudo-first-order kinetics for MB photocatalytic degradation process.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Environmental Sciences
Idrees Khan, Khalid Saeed, Ivar Zekker, Baoliang Zhang, Abdulmajeed H. Hendi, Ashfaq Ahmad, Shujaat Ahmad, Noor Zada, Hanif Ahmad, Luqman Ali Shah, Tariq Shah, Ibrahim Khan
Summary: The paper discusses the significant health issue of unavailability of clean drinking water in modern society, as well as the toxicity and environmental pollution caused by industrial dyes. By studying photodegradation technology to remove MB, efficient and environmentally friendly water treatment systems can be achieved. The photodegradation mechanism and factors affecting MB are summarized.
Article
Nanoscience & Nanotechnology
Gustavo Z. Girotto, Alisson S. Thill, Livia P. Matte, Marco A. H. Vogt, Thiago V. Machado, Luis F. P. Dick, Fabiano Mesquita, Fabiano Bernardi
Summary: This study investigates the different acting mechanisms of photocatalysts by heating nickel nanoparticles and supporting them on SrTiO3. It found that there is a direct association between the nickel oxidation state and the atomic mechanism of photodegradation, which improves the degradation of methylene blue.
ACS APPLIED NANO MATERIALS
(2022)
Article
Chemistry, Physical
Huynh Van Bao, Nguyen Minh Dat, Nguyen Thi Huong Giang, Doan Ba Thinh, Le Tan Tai, Dinh Ngoc Trinh, Nguyen Duy Hai, Nguyen Anh Dang Khoa, Le Minh Huong, Hoang Minh Nam, Mai Thanh Phong, Nguyen Huu Hieu
Summary: A zinc oxide-doped titanium dioxide/reduced graphene oxide nanocomposite was successfully prepared and showed promising results in adsorption and photodegradation of methylene blue under UV irradiation due to its high specific surface area and efficiency.
SURFACES AND INTERFACES
(2021)
Article
Materials Science, Multidisciplinary
Jiamei Zhao, Xinyue Cao, Yibo Bai, Jie Chen, Conglu Zhang
Summary: In this study, g-C3N4 modified CaTiO3 photocatalyst was prepared and characterized. The optimized CaTiO3/g-C3N4 showed high efficiency in the removal of methylene blue (MB) and levofloxacin (LVF) under mercury lamp illumination. The effects of photocatalyst dosage, solution pH, and co-existing ions in water were investigated, and a charge transmission mechanism and LVF degradation pathway were proposed. This work presents a new strategy for the synthesis of cost-effective CaTiO3 composites.
Article
Engineering, Environmental
Wenqiang Liu, Meng Zhou, Heqing Fu
Summary: A ternary Ag@ZnO@Ti3C2 MXene heterojunction (AZM) is synthesized to enhance photocatalytic activity by compensating for MXene's narrow bandgap with ZnO and Ag nanoparticles. The optimized AZM heterojunction photocatalyst shows high degradation efficiency for organic dyes under visible light irradiation.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2023)
Article
Materials Science, Ceramics
Zaheer Ahmed Ujjan, Muhammad Ali Bhatti, Aqeel Ahmed Shah, Aneela Tahira, Nek Muhammad Shaikh, Shusheel Kumar, Abdul Qayoom Mugheri, Shymaa S. Medany, Ayman Nafady, Fahad Alnjiman, Melanie Emo, Brigitte Vigolo, Zafar Hussain Ibupoto
Summary: In this study, sulfide and chloride ions were successfully doped into ZnO through hydrothermal method. The doped ZnO nanostructures showed no significant change in morphology, retaining the wurtzite crystal structure with a red shift in XRD results. The successful doping of sulfide and chloride ions was confirmed by elemental analysis. Importantly, the optical band gap of ZnO was reduced upon doping, leading to enhanced photocatalytic properties. The doped ZnO photocatalyst achieved a high photo-degradation efficiency of methylene blue.
CERAMICS INTERNATIONAL
(2022)
Article
Chemistry, Inorganic & Nuclear
Abhishek Bhapkar, Rishi Prasad, Dipika Jaspal, Mandar Shirolkar, Kh. Gheisari, Shekhar Bhame
Summary: Zinc oxide nanoparticles were successfully synthesized using glycine nitrate solution combustion synthesis. The synthesized nanoparticles exhibited a pure hexagonal wurtzite-like structure of ZnO. They showed effective visible light catalytic activity in the degradation of methylene blue dye, degrading 98% of the dye in 120 minutes with 0.1 g/L of catalyst loading. Photoluminescence studies suggested that the enhanced photocatalytic activity may be attributed to the presence of singly ionized oxygen vacancy or intrinsic defects.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Islam M. Minisy, Nehal A. Salahuddin, Mohamad M. Ayad
Summary: In this study, an eco-friendly adsorbent of chitosan-montmorillonite/polyaniline nanocomposite was synthesized and used for methylene blue removal from aqueous solutions. The polyaniline base composite proved to be a better dye adsorbent and exhibited a maximum adsorption capacity of 111 mg g-1.
APPLIED CLAY SCIENCE
(2021)
Article
Environmental Sciences
Siva Vadivel, Arunpandian Muthuraj, Murugan Anbazhagan, Shameem Abdul Samad, Raja Arumugam
Summary: A hybrid nano catalyst, CoMoO4 anchored zeolitic imidazolate framework-8, was successfully synthesized by a simple in-situ chemical method. The CoMoO4@ZIF-8 composites showed enhanced photocatalytic activity under visible light.
ENVIRONMENTAL POLLUTION
(2023)
Article
Chemistry, Physical
Bulent Caglar, Eda Keles Guner, Selin Ersoy, Sema Caglar, Agah Oktay Ozdemir, Kemal Volkan Ozdokur, Bilge Dogan, Fatih Icer, Cagri Cirak
Summary: In this study, a bentonite-Bi2S3 nanocomposite was prepared for the first time to enhance the photocatalytic performance of Bi2S3 nanorods under visible light irradiation. The nanocomposite showed superior photodegradation efficiency for crystal violet and rhodamine B dyes compared to bare Bi2S3 nanorods, attributed to its good light absorption ability, enlarged surface area, increased adsorption capability, and suppressed hole-electron recombination process. The reactive species trapping revealed that hydroxyl radicals played a major role in the photodegradation process, and the photocatalyst exhibited good reusability and stability after multiple cycles.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Environmental Sciences
Asif Nisar, Muhammad Saeed, Majid Muneer, Muhammad Usman, Iltaf Khan
Summary: The study reports the synthesis of ZnO-reduced graphene oxide catalyst for degradation of methylene blue, showing its high efficiency in dye removal and recyclability. Analysis of reaction kinetics revealed the Langmuir-Hinshelwood mechanism as the main kinetics mechanism for photodegradation of methylene blue.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Chemistry, Physical
Satoshi Saita, Maho Anzai, Nanase Mori, Hideya Kawasaki
Summary: Organic photosensitizers often self-aggregate, leading to the inactivation of their photosensitizing capabilities, which necessitates controlled aggregation for their applications. This study presents a strategy for enhancing the generation of O-1(2) by suppressing the self-aggregation of methylene blue through a nanocomposite of porous silica nanoaggregates and methylene blue.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Chemistry, Physical
Esmail Rezaei-Seresht, Hasan Balali, Behrooz Maleki
Summary: Adamantane has garnered significant attention for its distinct structure and properties in constructing nanostructured entities. This study successfully synthesized a novel hexakis (4-hydroxyphenyl) derivative and a hexahydroxy derivative.
FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES
(2023)
Article
Chemistry, Organic
Farin Laffafchi, Mahmood Tajbakhsh, Yaghoub Sarrafi, Behrooz Maleki, Milad Ghani
Summary: The present study developed a mild and green synthesis method for synthesizing 1,2,3-triazoles through click reaction. Creatine derivative functional groups were linked to the magnetic nanostructure, and Cu(II) ions were introduced as the catalyst for efficient catalytic action. This method offers advantages such as high reusability and efficiency.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Esmail Rezaei-Seresht, Fatemeh Tafazzoli Gazkoh, Behrooz Maleki
Summary: This work describes the synthesis and characterization of a heterogeneous catalyst consisting of piperazine-functionalized reduced graphene oxide decorated with Fe3O4 nanoparticles. The catalyst showed great catalytic activity for Pechmann synthesis of coumarins, and its reusability was also studied. The results indicate that the catalyst is efficient, easy to separate, and can be used for multiple reactions.
Article
Chemistry, Analytical
Milad Ghani, Zahra Jafari, Behrooz Maleki, Maryam Chamani
Summary: Polydopamine-coated Fe3O4 spheres were synthesized using a simple, easy, cost-effective, efficient, and fast method. These spheres were utilized as a sorbent in magnetic solid phase extraction of gemfibrozil and warfarin. The method showed good linearity, low detection and quantification limits, and high precision, as well as satisfactory enrichment factors and recovery rates. The method proved to be useful and applicable in complicated real samples.
JOURNAL OF SEPARATION SCIENCE
(2023)
Article
Chemistry, Organic
Seyedeh Fatemeh Hojati, Nasrin Moeini-Eghbali, Sara Mohammadi, Ali Jamshidi, Farokhzad Mohammadi Zonoz, Behrooz Maleki
Summary: A nanohybrid ionic liquid based on polyoxometalate has been synthesized and characterized, and its catalytic activity in multi-component reactions to generate pyran and spiro indoline derivatives has been studied. Tetrahydrobenzo[b]pyrans and multi-substituted spiro[indoline-3,4?-pyrano[2,3-c]pyrazole] have been successfully synthesized using this heterogeneous nano-catalyst, with advantages of high yields, easy work-up procedure, short reaction time, stability, non-toxicity, cheapness and reusability of the catalyst.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Chemistry, Organic
Hanieh Boroumand, Heshmatollah Alinezhad, Behrooz Maleki, Sahar Peiman
Summary: In this study, a reusable magnetic graphene oxide catalyst was used for the efficient preparation of 2-amino-4H-benzopyran derivatives. The method exhibited green reaction conditions, easy separation, cost-effectiveness, and high yield. Furthermore, the catalyst showed good recyclability with minimal performance degradation after multiple cycles.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Behrooz Maleki, Ehsan Koushki, Heshmatollah Alinezhad, Mahmood Tajbakhsh, Milad Ghani, Sahar Peiman, Faegheh Ghasempour Nesheli
Summary: This study focuses on synthesizing tetrazole dye and conducting Z-scan measurements on the synthesized compounds. The results obtained shed light on the origin of positive nonlinear absorption coefficients in dye molecules. The linear optical properties of the synthesized dyes were investigated using UV absorption and fluorescence emission spectrum. Additionally, density functional theory (DFT) was utilized to optimize the electronic characteristics and molecular geometry of the sensitizers, to study the impact of dye structure on their nonlinear optical performances.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2023)
Article
Chemistry, Inorganic & Nuclear
Behrooz Maleki, Reza Sandaroos, Sanaz Naderi, Sahar Peiman
Summary: In this study, a Schiff-base-manganese complex containing a crown ether was synthesized and immobilized on nanocellulose (MnL2@nanocellulose) for catalytic oxidation of benzyl alcohols. Characterization techniques including FT-IR, H-NMR, EDX, UV-Vis, microanalysis (CHN and ICP) and SEM were used. Compared to the analogue without crown ether (MnL1@nanocellulose), MnL2@nanocellulose exhibited better catalytic activity despite having a lower Mn content. (c) 2023 Elsevier B.V. All rights reserved.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2023)
Article
Chemistry, Analytical
Milad Ghani, Sepide Khodkavandi, Zahra Jafari, Pouya Ghamari Kargar, Behrooz Maleki, Hadis Fathnia Tabari
Summary: An efficient and cost-effective method for detecting chlorophenols in honey, black tea, and bovine milk samples was developed using Cellulose Nano-Fiber (CNF)-ImSalophen@Fe3O4. The sorbent showed high extraction performance, and the method exhibited good linearity, precision, and applicability in complex real samples.
MICROCHEMICAL JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Zahra Jalili, Ehsan Koushki, Amir Hossein Ehsanian, Reza Tayebee, Behrooz Maleki
Summary: In this study, zinc tungsten oxide nanoparticles (W-ZnO NPs) were synthesized by mixing Na2WO4 and zinc acetate in water, followed by dropwise addition of NaOH. The synthesized composite was characterized using XRD, DLS, SEM, and UV-Vis, and compared with pure synthesized ZnO and WO3 NPs. The non-linear optical properties of the composite were measured using the Z-scan technique with a continuous wave Nd-Yag laser. The results showed a negative non-linear absorption coefficient, indicating saturation absorption in the composite. The decrease in non-linear absorption compared to pure ZnO NPs was attributed to the negligible optical response of WO3 structures, and the negative value of the Z-scan curve suggested thermal lensing effect as the main reason for third-order non-linear refraction.
FRONTIERS IN CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Behrooz Maleki, Reza Sandaroos, Sahar Peiman
Summary: Six catalysts MnL1-MnL6, containing two crown ether rings and their analogs supported on the MCM-41 heterogeneous substrate (MnL1@MCM41-MnL5@MCM41), were synthesized and characterized. The mixture of molecular oxygen as an oxidant and these catalysts were used for the epoxidation of styrene. The supported catalysts showed better performance compared to the unsupported analogs, and they did not require an axial base and reducing agent.
Article
Environmental Sciences
Huazhong Liu, Mehdi Baghayeri, Amirhasan Amiri, Fatemeh Karimabadi, Marziyeh Nodehi, Maryam Fayazi, Behrooz Maleki, Ehsan Nazarzadeh Zare, Afsaneh Kaffash
Summary: In this work, a new dendrimer modified magnetic graphene oxide (GO) was used as a substrate for electrodeposition of Au nanoparticles. The modified magnetic electrode was employed for sensitive measuring of As(III) ion as a well-established human carcinogen. The prepared electrochemical device exhibits excellent activity towards As(III) detection using the square wave anodic stripping voltammetry (SWASV) protocol. At optimum conditions (deposition potential at -0.5 V for 100 s in 0.1 M acetate buffer with pH 5.0), a linear range from 1.0 to 125.0 μgL-1 with a low detection limit (calculated by S/N = 3) of 0.47 μg L-1 was obtained. In addition to the simplicity and sensitivity of the proposed sensor, its high selectivity against some major interfering agents, such as Cu(II) and Hg(II) makes it an appreciable sensing tool for the screening of As(III). In addition, the sensor revealed satisfactory results for detection of As(III) in different water samples, and the accuracy of obtained data were confirmed by inductively coupled plasma atomic emission spectroscopy (ICP-AES) setup. Accounting for the high sensitivity, remarkable selectivity and good reproducibility, the established electrochemical strategy has great potential for analysis of As(III) in environmental matrices.
ENVIRONMENTAL RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Sanaz Naderi, Reza Sandaroos, Sahar Peiman, Behrooz Maleki
Summary: A new catalyst consisting of a Schiff base attached to an ionic liquid and a crown ether coordinated to cobalt (II) was synthesized and characterized. This catalyst exhibited higher activity in the synthesis of xanthenes and chromenes compared to analogs without the crown ether and ionic liquid. The presence of the crown ether ring and the ionic liquid increased the solubility of the catalyst in the aqueous phase and enhanced its interaction with reactive species, leading to a faster reaction and excellent product yields. The catalyst could be reused multiple times, and the method offered advantages such as short reaction time, use of environmentally friendly solvents, and high yields of products.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2023)
Article
Chemistry, Organic
Zohreh Valipour, Rahman Hosseinzadeh, Yaghoub Sarrafi, Behrooz Maleki
ORGANIC PREPARATIONS AND PROCEDURES INTERNATIONAL
(2023)
Article
Chemistry, Multidisciplinary
Sanaz Naderi, Reza Sandaroos, Sahar Peiman, Behrooz Maleki
Summary: A new Schiff base ligand complexed with Mn (III) metal was synthesized and used with oxone oxidant in water-chloroform biphasic oxidation. The complex was able to oxidize different alkenes to corresponding epoxides with yields of 70-96%, with the lowest efficiency observed for alkenes with electron-withdrawing groups.
CHEMICAL METHODOLOGIES
(2023)
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)