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Chemical Review and Letters - Volume:7 Issue: 2, Spring 2024

Chemical Review and Letters
Volume:7 Issue: 2, Spring 2024

  • تاریخ انتشار: 1403/02/05
  • تعداد عناوین: 13
  • Ahmed Aldulaimi *, Haider Saud, Mohammed Ubaid, Mustafa Sami, Ayat Adhab, Farinaz Shahimi Pages 148-158

    Carbon dioxide (CO2) is a plentiful, nontoxic, nonflammable, renewable C1 feedstock and the major component of greenhouse gases, thereby the research for sustainable and efficient conversion of this waste gas into valuable chemicals has received great attention in recent years. The catalytic reaction between aldehydes and CO2 is a novel and attractive pathway for CO2-utilization as it can lead to the formation of highly important α-hydroxycarboxylic acids with ideal atom economy. This review discusses the advancements made within this research topic with the hope of promoting future research in the field of CO2-utilization.

    Keywords: Carbon dioxide, CO2-utilization, carboxylation, Aldehydes, α -hydroxycarboxylic acids
  • Mina Yousefnezhad, Mirzaagha Babazadeh *, Soodabeh Davaran, Abolfazl Akbarzadeh, Hamidreza Pazoki-Toroudi Pages 159-172
    In the recent decade, the design and engineering of novel drug delivery systems based on biodegradable nanoparticles using biocompatible polymers like poly (ε-caprolactone)/poly(ethylene glycol)/poly(ε-caprolactone) triblock copolymer (PCEC) attracted many attentions. These nanocarriers have shown high potentials in enhancing treatment efficiency and minimizing the side effects of drugs. Besides, combination therapy has become a potential approach for cancer treatment with synergistic impacts. For the first time, we investigated co-delivery of the antitumor drug, doxorubicin (DOX), and ezetimibe (EZ) as a cholesterol uptake-blocking drug with PCEC on prostate cancer cell line (PC3). The PCEC was synthesized by ring-opening polymerization of ε-CL initiated by PEG2000. The obtained copolymer was characterized by Fourier transform infrared spectroscopy (FT-IR), proton nuclear magnetic resonance (1H-NMR) spectroscopy, and gel permeation chromatography (GPC). In this study, DOX and EZ were encapsulated within PCEC by double and simple emulsion techniques, which led to the preparation of DOX@PCEC, EZ@PCEC, and DOX+EZ@PCEC nanoparticles. The size and morphology of the developed nanoparticles were analyzed by field emission scanning electron microscopy (FE-SEM). Also, the particle size and zeta potential of the drug-loaded PCEC nanoparticles were determined by dynamic light scattering (DLS) analysis . The release behavior of DOX and EZ from nanoparticles at two pH values and temperatures was evaluated. The cytotoxicity of nanoparticles was demonstrated by MTT assay using PC3 prostate cancer cell line. Based on the MTT assay results, PCEC copolymer exhibited negligible cytotoxicity on the growth of the PC3 cell line. Therefore, PCEC is a biocompatible and suitable nano-vehicle for this study. Moreover, the cytotoxic activity of all formulations was dose-dependent. The cytotoxic effect of DOX+EZ@PCEC nanoparticles against PC3 cell line was higher than single drug@PCEC nanoparticles. All data confirmed that the EZ as a cholesterol-lowering drug showed a synergistic effect in combination with DOX as an anticancer drug. Finally, the results showed a successful formulation of DOX+EZ@PCEC nanoparticles with high efficiency in prostate cancer treatment.
    Keywords: doxorubicin, EZETIMIBE, Co-delivery, PCL-PEG-PCL nanoparticles, Prostate Cancer, Combination therapy
  • Saeedeh Kamalinahad *, Haider Radhi Saud, Hala Bashir, Talal Aziz Qassem, Hayder Tariq Pages 173-184
    Sumanene molecule with highly symmetric (C3V) is polycyclic aromatic hydrocarbons. In this work, we report a quantum chemical calculation on the considered complexes, which were obtained by sumanene decorated with alkali metals (Li, Na, and K). Interestingly, the adsorption alkali metals by sumanene molecule lead to reduction Eg gap because of high energy levels which are formed under influence of interactions with alkali metals. The results indicate that the effect of alkali metals adsorption by sumanene is to greatly increase the β0 value. Among the obtained complexes, the largest first hyperpolarizability (β0) of the sumanene@Na and sumanene@K complexes were 2336323 au and 2904321 au, respectively.
    Keywords: Sumanene molecule, DFT, Hyperpolarizability, NLO
  • Roya Moeinzadeh, Malak Hekmati *, Najmedin Azizi, Mahnaz Qomi, Davoud Esmaeili Pages 185-200
    In this work, a facile and fast phytosynthesis of zinc oxide nanoparticles (ZnO NPs) were reported employing an aqueous extracts of flowering shoot tips of Hypericum perforatum L. (H. perforatum). UV-Vis Diffuse reflectance spectroscopy (UV-Vis DRS), X-ray Diffraaction (XRD), Field emission scanning electron microscopy (FESEM), Transmission electron microscopy (TEM), Energy dispersive X-ray spectroscopy (EDS) and Fourier transform infrared spectroscopy (FT-IR) were applied to characterize the fabrication of ZnO NPs. TEM results show a semi-spherical shape and a size range of 14 nm for synthesized ZnO Nps and also represented UV-Vis absorption at 365 nm. The antibacterial activity of phytosynthesized ZnO NPs and the aqueous extract of H. perforatum were also measured including: zone of inhibition, Minimum inhibitory concentration (MIC) and Minimum bactericidal concentration (MBC). The bacteria examined in this study are Methicillin-resistant Staphylococcus aureus (MRSA), Pseudomonas aeruginosa (both of which are the most common causes of nosocomial infections), and Bacillus subtilis. Regarding the antibacterial properties of the synthetic samples, the best results were obtained with H.perforatum/ZnO NPs against B. subtilis. as follows: inhibition zone diameter at 1000 μg mL-1, 18 mm, MIC and MBC values of 39.06 μg mL-1 and 78.12 μg mL-1. Considering the favorable antibacterial activity of synthesized ZnO NPs using H. perforatum extract, they can be applied in bio-medicinal applications, particularly as nanobiotics.
    Keywords: ZnO nanoparticles, Phytosynthesis, Hypericum perforatum, antibacterial
  • Marziyeh Mohammadi *, Fahimeh Alirezapour Pages 201-210
    The adsorption of the pyrrole-thioindole (1) and C20 cage (2) are studied at B3LYP/6-311+G*, B3LYP/6-311++G** and B3LYP/AUG-cc-pVTZ. Stability of solute and complex (3) depends on the dielectric constant of the used solvent (ε), the possibility of the hydrogen bonding (H…B) and dipolar–dipolar interaction (D.-D.I.) between them. In going from the gas phase to less polar solvent, then in turn to more polar solvent, a good consistency appears between ε and the absolute value of adsorption energy difference among solvent phase and gas phase i.e. │∆Eads. of s-g│ obtained for product (3). Moreover, the highest │∆Eads. of s-g│ is measured for (3) in water, whereas the lowest value is associated in cyclohexane. Because of capability of (H…B), (3) is stabilized in the most polar solvent (water) more than gas phase and other solvents. The kinetic stability and energy difference between the frontier orbitals (Eg or ∆EL-H) is observed in the opposite direction with ε. A red shift is monitored when adsorption is taken in polar solvents as ∆EL-H is reduced.
    Keywords: Solvent, Complex, TS, Stability, Hollow cage
  • Ali Naghipour *, Abozar Bastami, Ali Khatibjoo, Fatahnia Farshid Pages 211-221
    In this study, the phosphonium salt [Ph3PCHC(O)OCH2CH3]Br undergoes a reaction with palladium(II) chloride, resulting in the formation of [Ph3PCHC(O)OCH2CH3]2[Pd2Cl4Br2]. The synthesized compound underwent thorough characterization through elemental analysis, as well as FT-IR, 1H, 31P, and 13C NMR spectroscopies. The investigation revealed that this particular substance serves as an efficient catalyst for the Heck cross-coupling reaction, leading to the synthesis of diverse unsaturated products with highly favorable outcomes. Moreover, it has demonstrated effectiveness in catalyzing the Suzuki cross-coupling reaction. Notably, the catalyst exhibits sustained catalytic activity and can be conveniently recovered and reused.
    Keywords: Phosphonium salt, Palladium(II), Heck C-C coupling, Suzuki cross-coupling
  • Atena Naeimi, Mahboubeh Ghasemian Dazmiri, Maryam Ghazvini * Pages 222-240
    The development of Ag/Fe3O4/SiO2@MWCNTs MNCs magnetic nanocomposites was done with the goal of producing novel pyrimidothiazines and pyrimidooxazines in high yields. These novel compounds were created utilizing a multicomponent reaction in aqueous media that included aldehydes, ethyl acetoacetate, urea or thiourea, electron-deficient acetylenic chemicals, and tert-butyl isocyanide. It should be noted that Petasits hybridus leaf water extract was used in these processes repeatedly to demonstrate the reusability of the nanocatalyst and was used to create the high performance nanocatalyst. The NH group, which was assessed by two processes, is what gives recently synthesized pyrimidothiazines and pyrimidooxazines their antioxidant properties. Additionally, the antibacterial activity of newly created pyrimidothiazines and pyrimidooxazines was assessed using a disk distribution procedure with two different types of Gram-negative bacteria and Gram-positive bacteria, demonstrating that using these compounds prevented the growth of bacteria. This method is used to make pyrimidothiazines and pyrimidooxazines derivatives, and it offers advantages including quick reactions, high yields for the finished products, and the ability to separate catalyst and products with ease.
    Keywords: Ag, Fe3O4, SiO2@MWCNTs MNCs, Pyrimidothiazines, pyrimidooxazines, Multicomponent reaction, Alkyl bromide, Activated acetylenic compounds
  • Ahmed Kareem Obaid Aldulaimi Obaid Aldulaimi *, Ayat Adhab, Haider Radhi Saud, Mohammed Ubaid, Mustafa Sami Pages 241-252

    This paper presents an update review on recent advances and developments in chemical fixation of CO2 with 2-aminobenzenethiols into benzothiazol(on)es. For clarity, the review is divided into two main sections. The first section is a discussion of the synthesis of benzothiazole derivatives via cyclization of 2-aminobenzenethiols with CO2, while the second consists of an overview of cyclocarbonylation of 2-aminobenzenethiols utilizing CO2 for the synthesis of benzothiazolone derivatives.

    Keywords: Carbon dioxide, 2-aminobenzenethiols, Benzothiazoles, benzothiazolones, cyclocarbonylation
  • Keivan Shayesteh *, Ghasem Mohammadzadeh Pages 253-262
    The presence of functional groups in the structure of lignin increases its ability to make changes and carry out chemical reactions, and this work strengthens its commercial applications. The main goal of this research is to reduce the solubility of lignin-sulfonate using the acetylation process, especially multi-stage acetylation, to improve its ability. For this purpose, reducing or removing the hydroxyl groups is necessary. In this research, Lignin sulfonate was extracted from the wastewater of Mazandaran wood and paper factory. Then, the decrease in the solubility of Lignin sulfonate was studied by performing the acetylation reaction of Lignin sulfonate in a multi-stage manner. From FT-IR, GC-MS, SEM, XRD, and Contact Angle analyses, the effect of stepwise acetylation on the structure of Lignin sulfonate bio-polymer was studied. The results showed that the hydroxyl groups were significantly reduced in the multi-stage acetylation process of Lignin sulfonate, which significantly reduced the solubility and hydrophilicity of the product compared to the raw material. The solubility, weight of the product, GC-MS analysis, and FT-IR analysis of the solution showed the necessity of choosing the ethanol solvent in the purification of the product. Thus, by improving the crystallization process of the product, the amount of acetylated Lignin sulfonate produced increased significantly. This research tried to provide a suitable analysis for the severe exothermic reaction of ethanol to purify impurities and improve the quality and quantity of acetylated lignin sulfonate products.
    Keywords: Lignin sulfonate, Acetylation, Ethanol removal, Exothermic reaction mechanism, Solubility reduction
  • Khaitov Jonibek Kurbonovich, Todjiyev Jamoliddin Nasiriddinovich, Nematov Khusan Ibodullayevich, Jurayeva Mukhlisa Ilhom Qizi, Muhammedova Busora Muhammedova, Bekjanov Ikrom Qurvonnazarovich, Khaydar Yunusov * Pages 263-276

    This review focuses on the contributions made in the direct C-H amidation of (hetero)arenes with sulfonamides. The manuscript is divided into two parts based on C-H components. The first part includes cross-dehydrogenative sulfonamidation of simple arenes while the second section contains the examples of the direct sulfonamidation of heteroaromatic compounds.

    Keywords: Cross-dehydrogenative coupling, sulfonamidation, N-(hetero)aryl sulfonamides, (hetero)arenes, C-H bond
  • Amirmohammad Sharafi, Aliasghar Hamidi *, Elaheh Rahimpour, Abolghasem Jouyban, Mohammadreaza Behboudi Pages 277-285
    Physicochemical properties data of solvent mixtures is an integral part of ‎designing new industrial processes, developing theoretical models and etc. In this work, physicochemical properties of ternary mixtures of carbitol with water and 2-propanol including density, viscosity, and speed of sound in the entire range of compositions and temperatures including 298.15, 303.15, 308.15, and 313.15 K and atmospheric pressure of 0.868 MPa were carried out and compared with the available literature data. Jouyban–Acree and the Jouyban-Acree-van’t Hoff models were used for mathematical correlation of the obtained records. The mean relative deviation (MRD%) was used as an error scale. The related MRDs% for the predicted properties after training the Jouyban-Acree model were 0.2%, 5.9%, and 0.3%, and the Jouyban-Acree-van’t Hoff model were 0.2%, 6.0%, and 0.3% for density, viscosity, and speed of sound, respectively.
    Keywords: Density, Viscosity, Speed of sound, Ternary solvent mixture, mathematical models
  • Maryam Azari, Reza Ghiasi *, Behrooz Mirza Pages 286-293
    This study investigated the reaction of molybdenocene dichloride complex (Cp2MoCl2) as anticancer agent with thymine using mPW1PW91 functional. Five possible modes of the binding of thymine to MoCp22+ were considered. Energetic stability of five isomers was compared in gas and aqueous phases. Also, the solvent effect on the dipole moment values of systems was illustrated. The solvent effect on these data were examined using conductor polarizable continuum model (C-PCM). Energy decomposition analysis (EDA), Interaction region indicator (IRI) and Quantum theory of atoms in molecules (QTAIM) analysis provided deep insights into the nature and the strength of the Molybdenocene–thymine binding. Charge decomposition analysis (CDA) was used to illustrate the transfer of charge between two fragments.
    Keywords: Molybdenocene, thymine, Antitumor, conductor-like polarizable continuum model (C-PCM), Interaction region indicator (IRI), Energy Decomposition Analysis (EDA), Charge Decomposition Analysis (CDA)
  • Soma Majedi *, Ali Yassen, Sanaa Issa Pages 294-310
    Plants, through their metabolic processes, produce phytochemicals commonly consumed in traditional medicine and nutrition for their potential health benefits. This study explores the biological and pharmacological evaluation of three distinct plant species: Stachys lavandulifolia vahl (mountain tea), Thyme (Thymus vulgaris), and Damask Rose (Rosa damascena). The primary focus is on assessing the synergistic effects of combining these plants and determining their impact on antimicrobial properties. The chemical structures of active compounds derived from these plants are presented, with a detailed classification based on their properties. The extract in our study showed strong antimicrobial activity against multiple microorganisms particularly S. epidermidis and E. coli with the inhibition zone 51 and 50 mm respectively. This analysis provides valuable insights into the potential therapeutic applications of these plants and their active compounds, thereby contributing to an enhanced understanding of their medicinal properties.
    Keywords: Ethnobotanical Plants, Stachys lavandulifolia vahl, Thyme, Damask rose, Medicinal properties