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Efficient fluoride removal from aqueous solution by sorption using natural adsorbent - Eugenia Jambolana: Equilibrium isotherm analysis and influence of anions Main Group Chem. (IF 1.5) Pub Date : 2023-12-01 J. Sumathi, B. Anna Benedict, B. Jebasingh, L. Sakaya Sheela
Commercial industries which employ metallurgical extraction, cement manufacturing and fuel cells expulse heavy volumes of fluoride-containing wastewater into the natural environment posing grave threats to public health. In the current study, a locally available plant known as Jamun (Eugenia Jambolana), was used as an adsorbent for fluoride removal from aqueous solutions. Physico-chemical experiments
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In silico-based identification of new anti-pfdhfr drug candidates via 1,3,5-triazine derivatives Main Group Chem. (IF 1.5) Pub Date : 2023-12-01 Nedjla Khelfa, Salah Belaidi, Enfel Zerroug, Fatima Soualmia, Samir Chtita
Quantitative structure-activity relationship study was used to investigate the relationship between anti-pfdhfr activity and structure of twenty-eight 1,3,5-triazine derivatives. We performed benchmark studies on the molecular geometry, electron properties of 1,3,5-triazine using semi-empirical(PM3), density functional theory and post Hartree-Fock methods. Followed by a QSAR study using multiple linear
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Phenol removal from aqueous solution using advanced oxidation process enabled by a hybrid system: UV/H 2O 2/O 3/TiO 2 Main Group Chem. (IF 1.5) Pub Date : 2023-12-01 Mohammad Beidaghdar, Ebrahim Fataei, Behnam Khanizadeh, Ali Akbar Imani
The need for healthy and pollution-free water is vital given the world’s industrialization and population explosion. The removal of chemical pollutants, especially phenol and phenolic compounds, from urban and industrial wastewaters is of particular importance due to their high water solubility andtoxicity. Previous physicochemical techniques for phenol removal are no longer cost-effective. Advanced
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Synthesis methods, characterizations and usage areas of medicinal compounds from THP, and their Ag(I)-NHC complexes, and their antimicrobial efficiencies Main Group Chem. (IF 1.5) Pub Date : 2023-12-01 Murat Turkyilmaz, Murat Donmez
Natural or synthetic substances can be used to create smart medications, which can enhance cognitive performance in healthy individuals. They are frequently used to boost memory, concentration, creativity, intelligence, and motivation in the fiercely competitive world of today.To achieve optimum results, the drug should be applied to the target site at the appropriate concentration, with as few or
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Unveiling the power of g-C 3N 4@CR composite photocatalyst in simulated solar light-assisted degradation of fast green dye and nitrophenol Main Group Chem. (IF 1.5) Pub Date : 2023-10-09 Arun K. Dubey, Rajesh K. Yadav, Vittal L. Gole, Satyam Singh, Rajat Singhal, Satyendra K. Pandey, Atul P. Singh
A novel and efficient method has been developed for synthesizing the g-C3N4@CR composite using a simple mingling and heating technique. This method involves the decoration of one-dimensional carmine (CR) onto graphitic carbon nitride (g-C3N4). The light-harvesting composites produced through this process underwent characterization using various spectroscopic techniques, including UV, XRD, FT-IR, Raman
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Computational investigation of isotopic effect in H 2@X 12N 12 and H 2O@X 12N 12 (X = B and Al) molecules Main Group Chem. (IF 1.5) Pub Date : 2023-10-06 Reza Ghiasi, Alireza Valizadeh, Hoda Pasdar
In this work, we reported isotopic effect in H2@X12N12 and H2O@X12N12 (X = B and Al) molecules at LC-ωPBE/6-311 G(d,p) level of theory. Zero-point energies values (ZPEs) of H2, H2O, H2@X12N12 and H2O@X12N12 molecules were calculated. Isotopes influenced the excess energies attained by molecules due to compression. The changes in ZPE of H2@X12N12 and H2O@X12N12 and those isotopic molecules intensely
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Novel Schiff base as Fe 3+ sensor as well as an antioxidant and its theoretical studies Main Group Chem. (IF 1.5) Pub Date : 2023-09-21 Suvidha Sehrawat, Alisha Mahajan, Navjot Sandhu, Vivek Anand, Vivek Singh Rana, Ashish Pratap Singh, Rajesh Kumar Yadav, Atul P. Singh
A novel Schiff base derivative L (N1-(thiophene-2-ylmethylene)benzene-1,2-diamine) was synthesized via condensation reaction of 3-thiophene carboxaldehyde and 1,2-diamino benzene. The synthesized compound was authenticated using 1 H NMR, 13 C NMR, HRMS, and IR spectroscopy. The compound L was foundto be a Fe3+ sensor with the complexation ratio of 1 : 3 as revealed by Job’s plot with maximum absorption
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Determination of comprehension levels of prospective chemistry teachers related to covalent bonding by using concept cartoons strategy Main Group Chem. (IF 1.5) Pub Date : 2023-09-21 Şenol Şen, Senar Temel, Özgür Özcan
This study aims to identify prospective chemistry teachers’ difficulties in comprehension of the subject of polar and nonpolar covalent bonding. In addition to that, attempts were also made to determine how they interpreted the nature of force in covalent bonding. The study was conducted in a qualitative research method. Three different concept cartoons were used for data collection. 15 prospective
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In situ high-temperature X-Ray diffraction study of tantalum metal Main Group Chem. (IF 1.5) Pub Date : 2023-09-21 Fariza SI-Ahmed, Arezki Afir, André Pialoux, Houria Chikh
An in-situ thermal behavior study was conducted on the metallic tantalum under two conditions. The experimentation was carried out on tantalum pellets which were heated progressively “underwent reaction and under continuous pumping or under controlled monoxide pressure” in a graphite resistance high temperature X-ray diffractometer up to 2300 K. Through the in-situ study, a thermodynamic analysis showed
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Identification of new dihydrophenanthrene derivatives as promising anti-SARS-CoV-2 drugs through in silico investigations Main Group Chem. (IF 1.5) Pub Date : 2023-09-21 Imane Yamari, Oussama Abchir, Hassan Nour, Mhammed El Kouali, Samir Chtita
Abstract To research, evaluate, and invent novel compounds that inhibit SARS-CoV-2 activity, a series of reported 39 substituted 9, 10-dihydrophenanthrene derivatives were subjected to a quantitative structure-activity relationship (QSAR) study. Gaussian 09 and ChemOffice programs were used to calculate the molecular descriptors employed to determine their impact on the studied activity. Then we reduced
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Theoretical investigation of the adsorption behavior of dibenzothiophene molecule on the surface of the pristine boron nitride nanosheet Main Group Chem. (IF 1.5) Pub Date : 2023-08-29 Mehrnoosh Khaleghian, Masoome Sheikhi, Siyamak Shahab, Hooriye Yahyaei, Mahin Ahmadianarog
The adsorption of the dibenzothiophene (DBT) molecule upon the boron nitride nanosheet (BNNS) was discussed using the DFT method by M062X/6-311 + G* level of theory in the water solvent. The results of thermochemical parameters display the interaction of the DBT with BNNS is a spontaneous and exothermic process. The UV/Vis absorption analysis was carried out to predict the changes that occurred during
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Comparison of Electro-Fenton and Photoelectro-Fenton for removal of Acrylonitrile Butadiene Styrene (ABS) from petrochemical wastewater Main Group Chem. (IF 1.5) Pub Date : 2023-08-25 Mohamad Shobeirinia, Reza Jalilzadeh Yengejeh, Ehsan Derikvand, Maryam Mohammadi Rouzbehani
The purpose of this study was the evaluation the Electro-Fenton (EF) and Photo Elecro-Fennton (PEF) efficiencies to remove of some pollution indicators from effluents of Acrylonitrile Butadiene Styrene (ABS) petrochemical industries affected by the operational parameters such as operation time, pH,current density, and concentration of H2O2. The EF and PEF reactors were made and a batch study was performed
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Solvothermal synthesis of Bi 12TiO 20/Bi 4Ti 3O 12 heterostructure with highly efficient photodegradation of MO under UV irradiation Main Group Chem. (IF 1.5) Pub Date : 2023-08-18 Saad Aarich, Mohamed Saidi, Noureddine Chouaibi, Khadija Ziat
The sillenite-structured bismuth titanate (Bi12TiO20) is thought to be a viable photocatalyst for environmental remediation. However, the performance of Bi12TiO20 as a photocatalyst is severely constrained by its limited range of light sensitivity and the rapid photoinduced electron-hole pair recombination. A practical and effective way to overcome these limitations is to combine Bi12TiO20 with adequate
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Architectural design, fabrication techniques, characteristics parameters and different applications for OLED along with some OTFT driven OLEDs: A review Main Group Chem. (IF 1.5) Pub Date : 2023-07-26 Sugandha Yadav, Poornima Mittal, Shubham NEGI
In consumer electronics, Organic LED (OLED) has become mainstream display technology. Using organic materials, opto-electronics devices have become extensively desirable for various reasons. One of the fundamental properties i.e., flexibility permits to fabricate electronic circuits on flexible substrates to make these devices bendable and stretchable. This paper provides a review on various terms
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Tri-butyltin(IV)phenoxyacetohydroxamate: Synthesis, characterization, biological evaluation and molecular docking studies Main Group Chem. (IF 1.5) Pub Date : 2023-07-26 Vandna Sharma, Vineet Kumar Choudhary
The tri-organotin(IV) complex of composition [n-Bu3Sn(C6H5OCH2CONHO)] has been synthesized by using Bu3SnCl and potassium phenoxyacetohydroxamate ligand (KPAH) in pre-determined molar ratio of methanol and tetrahydrofuran. These are characterized by spectral techniques like FTIR, 1 H NMR and mass spectrometry. Studies on electrochemical processes are carried out using cyclic voltammetry. The in vitro
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Application of solid-phase microextraction/gas chromatography method for extraction, identification, and comparison of polycyclic aromatic hydrocarbons from industrial and traditional edible oils Main Group Chem. (IF 1.5) Pub Date : 2023-06-16 Isa Fathollahy, Babak Baglari, Sajad Pirsa
Polycyclic aromatic hydrocarbons (PAHs) are a large group of cyclic aromatic hydrocarbons that have been listed as hazardous substances by the US Environmental Protection Agency and the World Health Organization. Edible oils are one of the important food sources of PAHs, which are created during the processes of drying oil seeds or refining edible oils. The aim of this research was to evaluate PAHs
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Medicinal importance and chemosensing applications of Schiff base derivatives for the detection of metal ions: A review Main Group Chem. (IF 1.5) Pub Date : 2023-06-16 Meshal Alshamrani
Schiff bases, named after Hugo Schiff, are formed when primary amine reacts with carbonyl compounds (aldehyde or ketone) under specific conditions. Schiff bases are economical, simple synthetic routes, and easily accessible in laboratories. They have medicinal and biological applications such as antiviral, antioxidant, antifungal, anticancer, anthelmintic, antibacterial, antimalarial, anti-inflammatory
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Amentoflavone derivatives against SARS-CoV-2 main protease (M PRO): An in silico study Main Group Chem. (IF 1.5) Pub Date : 2023-06-16 Rajib Hossain, Shafi Mahmud, Abul Bashar Ripon Khalipha, Abu Saim Mohammad Saikat, Dipta Dey, Rasel Ahmed Khan, Abdur Rauf, Abdul Wadood, Humaria Rafique, Sami Bawazeer, Anees Ahmed Khalil, Zainab M. Almarhoon, Yahia N. Mabkhot, Khalid J. Alzahrani, Muhammad Torequl Islam, Khalaf F. Alsharif, Haroon Khan
Abstract Globally, novel coronavirus (nCoV19) outbreak is a great concern to humanity owing to the unavailability of effective medication or vaccine to date. Therefore, the development of drugs having anti-COVID-19 potential is a need of time. In this milieu, in-silico studies have proven to be rapid, inexpensive and effective as compared to other experimental studies. Evidently, natural products
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Synthesis, characterization and in vitro antibacterial activity of di- and tri n-butyltin(IV) complexes of 3-amino-4 -chloridobenzohydroxamic acid Main Group Chem. (IF 1.5) Pub Date : 2023-05-13 Sachin Bhardwaj, Vineet Kumar Choudhary, Mamta Pundeer, Neeraj Sharma
New di-and tri- n-butyl tin(IV) hydroxamate complexes of composition [n-Bu2Sn(C6H3(3-NH2)(4-Cl)CONHO)2](I) and [n-Bu3Sn(C6H3(3-NH2)(4-Cl)CONHO)] (II) have been synthesized by the reactions of n-Bu2SnCl2 and n-Bu3SnCl with potassium 3-amino-4-chlorido benzohydroxamate(KHL) in predetermined metal:ligand 1:2 and 1:1 molar ratios respectively in MeOH+THF solvent medium and characterized by physiochemical
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Free energy calculations reveal the interaction and stability of ligands in the vicinity of B-DNA dodecamer Main Group Chem. (IF 1.5) Pub Date : 2023-04-25 Anwesh Pandey, Anupriya Adhikari
The double stranded Deoxyribonucleic acid (DNA) is stated as one of the idyllic targets for cancer and other various diseases. The in-depth investigation of DNA-drug interaction plays a crucial role for the recognition of drug mechanism action as well as in advance scheming of more proficient drugswith minor aftermath. Imidazoles and molecules possessing them are well known for their antimicrobial
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Synthesis and bio-activity of complex azo compounds: A review on formazans and its complexes Main Group Chem. (IF 1.5) Pub Date : 2023-04-20 Neetu Singh, Harvinder Singh Sohal, Meenakshi Verma, Rajeev Sharma, Manvinder Kaur
Formazans are well-known complexing agents and form highly stable complexes with verity of metals that are useful for number of pharmaceutical applications. The activity profile of formazans and their complexes are huge that include antibacterial, antifungal, antioxidant, anti-fertility, anti-tubercular, antiviral, anti-inflammatory, anticancer, anti-HIV, and anti-proliferative are among the biological
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Photocatalytic turnover number & turnover frequency of 4-HNB under solar light by ‘1’ photocatalyst with & without reducer Main Group Chem. (IF 1.5) Pub Date : 2023-03-10 Satyam Singh, Rajesh K. Yadav, P.P. Pande, Tae Wu Kim, Atul P. Singh, Chandani Singh, Jin-Ook Baeg
4-hydroxynitrobenzene (4-HNB) is a highly effective industrial pollutant that causes adverse effects to human beings. In this regard, detoxification of noxious water is utmost indispensable. Highly efficient metal-free photocatalytic degradation and reduction of 4-HNB with and without reducing agent still challenge. Additionally, for this role, largely expensive reagents that can create inauspicious
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Strain tunability of the properties of Fe- doped lithium niobate for optoelectronic applications: Theoretical insights Main Group Chem. (IF 1.5) Pub Date : 2023-03-07 Ashish Raturi, Poornima Mittal, Sudhanshu Choudhary
This work elucidates the impact of strain on the optical and electronic properties of Fe-doped lithium niobate using density functional theory. The Fe-doped lithium niobate is applied with the tensile and compressive strain (10% and 20%) and optical properties are analyzed. Lithium niobate, a largebandgap material (bandgap 3.56 eV), has absorption limited to the UV region of the optical spectrum only
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Silylation of thymol extracted from Thymus migricus essential oil, improvement of lipophilicity properties, and investigation of its pharmacological properties Main Group Chem. (IF 1.5) Pub Date : 2023-02-24 Ebrahim Rezaii, Leila Nazmi Miardan, Mehrdad Mahkam, Mohammad Rezaii
Thymus species are well known as medicinal plants because of their biological and pharmacological properties. Thymus migricus Klokov & Desj. -Shos belongs to Lamiaceae. Young branches of this plant produce an essential oil that is abundant in potent and volatile compounds that have a variety of therapeutic uses. In this study, the natural composition of thymol in this plant’s essential oil was first
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Green synthesis of 2,4-dinitro-substituted bischalcones using bifunctional magnetic nanocatalyst Main Group Chem. (IF 1.5) Pub Date : 2023-02-14 Alireza Doroudi, Raziye Saeidi Rashk Oliaei, Layasadat Khorsandi, Mohammad Javad Tahmasebi Birgani, Amanollah Zarei Ahmady
Flavonoids have many biological properties, such as anticancer activity. Chalcones, one of their subunits, attribute their biological activity to their enone part. The presence of dinitrophenyl group in bischalcone because of its radiosensitivity property is important. Radiosensitivity property reduces radiation time in cancer patients and reduces damage to their healthy tissues. In this regard, 2
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Investigation of the effect of dye sensitized solar cell efficiency of donor and anchor groups in phthalocyanine compounds Main Group Chem. (IF 1.5) Pub Date : 2023-02-14 Betül Karadoğan, İbrahim Erden
In order to obtain higher power conversion performance in dye-sensitized solar cells, phthalocyanine compounds (ZnPc-1 and ZnPc-2) containing electron donor methoxy groups and aldehyde groups as anchors were synthesized in this study. The photovoltaic and electrochemical properties of these compounds were studied and their applicability as photosensitizers in DSSCs was investigated. The photovoltaic
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Formulation optimization of pH-sensitive liposomes based drug delivery of Carboplatin and anti-proliferative evaluation against A549 (human lung carcinoma) cell lines Main Group Chem. (IF 1.5) Pub Date : 2023-02-09 Preeti Aneja, Prabhat Negi, Shivali Aneja, Suyog Rajendra Garad, Sunil Kumar
The developments of pH–sensitive liposomes which are stable at physiological pH i.e. (6.8–7.4) have not explored much up until now. These lipid vesicles will go through destabilization and attain fusogenic properties in acidic conditions leading to liberation of aqueous contents. Carboplatin, included in the family of alkylating agent was found to exhibit adverse effects like myelo suppression, ion
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Experimental and theoretical investigation of the effect of alkali (Li, Na and K) doping on the properties of nickel oxide thin films: Comparative study Main Group Chem. (IF 1.5) Pub Date : 2023-01-23 Hanna Touhami, Kenza Almi, Said Lakel
Pure and 6% alkali-doped NiO thin films (alkali A = Li, Na, K) were prepared by a sol-gel spin coating method and deposited on glass substrates. XRD analysis showed that the prepared films belonged to a cubic structure with (111) plane as preferential growth orientation for undoped and K-doped samples and (200) for Li and Na doping. An optical study based on (UV-Visible) showed that the band gap tends
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Synthesis of cobalt aluminates by using the peel extracts of Citrus family species Main Group Chem. (IF 1.5) Pub Date : 2023-01-20 Fatma Tugce Senberber Dumanli, Enis Muhammet Gul, Emek Moroydor Derun
Synthesis of cobalt aluminate was achieved by using the peel extracts of Citrus family species. The peel extracts of lemon, orange and mandarin were used as capping agent in experimental step. These peels were extracted through varied solvents including water, ethanol and methanol. In this regard,the efficacies of the peel type and the extraction liquid were surveyed in the study, using a co-precipitation
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Preparation, physicochemical characterization, molecular docking and biological activity of a novel schiff-base and organophosphorus schiff base with some transition metal(II) ions Main Group Chem. (IF 1.5) Pub Date : 2023-01-11 Yasmin M.S. Jamil, Fathi M. Al-Azab, Nedhal A. Al-Selwi, Thamer Alorini, Ahmed N. Al-Hakimi
The two synthesis of Schiff base SB (Indole-3-carboxalidene-1-phenylsemicarbazide) and organophosphorus Schiff base OPSB (Indole-3-carboxalidene diphenylphosphate-1-phenylsemicarbazide) have been prepared and characterized by elemental analyses, IR, 1H-NMR, 13C-NMR, UV–Vis and XRD. A series of complexes of the type [M(SB)2Cl2].2H2O and [M(OPSB)Cl.(H2O)2].Cl, where M = Cu(II), Ni(II) and Co(II) have
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Solubility of Mercaptopurine as an anti-cancer drug in green solvents by spectral studies and DFT Main Group Chem. (IF 1.5) Pub Date : 2023-01-10 Mahsa Mahmoudi Karamjavan, Alireza Monadi Sefidan, Maziar Noei
Mercaptopurine with the scientific name of 1.7-dihydro-6H-purine-6-thione and brand name of Purinethol, is among cancer treatment drugs. Accordingly, it is used to prevent the formation and expansion of cancer cells, the high solubility of which is effective on their better performance. In this study, using the calculations of Density functional theory (DFT) at level PW91/6-31(d), the stability of
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Green synthesis of CuO nanoparticles using Peganum harmala extract for photocatalytic and sonocatalytic degradation of reactive dye and organic compounds Main Group Chem. (IF 1.5) Pub Date : 2022-12-20 Reza Fekri, Seyed-Ahmad Mirbagheri, Ebrahim Fataei, Gholamreza Ebrahimzadeh-Rajaei, Lobat Taghavi
The present study was performed to evaluate the effectiveness of photocatalytic and sonocatalytic processes for the removal of reactive blue 5 dye and organic compounds of textile effluent in the presence of copper oxide nanoparticles (CuO NPs). CuO NPs were synthesized using Peganum harmala seedextract. The structure of NPs was confirmed using SEM, TEM, XRD, EDX, and FTIR techniques. The tests were
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Solar-light-induced green conversion of amines into imines by lemon derived heteroatoms-doped GQDs as a green photocatalyst Main Group Chem. (IF 1.5) Pub Date : 2022-12-23 Satyam Singh, Rajesh K. Yadav, Tae Wu Kim, P.P. Pande, Surabhi Chaubey, Atul P. Singh
Graphene is one of the amazing present encroachments in current research area of science and one of the utmost fascinating materials for relevance in cutting-edge research. Herein, we designed lemon-derived heteroatoms-doped graphene quantum dots (S, N-GQDs) based photocatalyst for the first time.For the integrating reactions of amines in aerobic conditions under solar light by S, N-GQDs photocatalyst
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The instability of coordinated As(III) thiolates, As(SPh) 3 and R-As(SPh) 2 (R = Me, 2-nitrophenyl), to heavy metal cations Main Group Chem. (IF 1.5) Pub Date : 2022-12-08 Panayiotis V. Ioannou, Christina Stamou
The coordination ability of As(III) thiolates, having two kinds of Lewis base atoms [As(III) and S(II)], towards heavy metal salts was virtually not studied. We have found that As(SPh)3 (A), Me-As(SPh)2 (B), and 2-O2N-PhS-As(SPh)2 (C) with the acetates M(OAc)2 (M = Cd, Pb, Hg) gave the metal thiophenolate M(SPh)2 (except in the case of B and Cd(OAc)2 which gave PhS-Cd-OAc·Cd(SPh)2) and with HgCl2 gave
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Easy to make highly efficient FG@ACC stable platform for sp 3C-CF 3 bond generation and NADH regeneration under sun light Main Group Chem. (IF 1.5) Pub Date : 2022-11-22 Surendra Kumar Jaiswal, Rajesh Kumar Yadav, Krishna Kumar, Satyam Singh, Surabhi Chaubey, Pooja Singh, Santosh Kumar Tripathi, Sarvesh Kumar Gupta, Tae Wu Kim, Atul P. Singh
The conversion of sun light energy into sustainble greener chemicals are a major obstacle due to the use of expensive and toxic materials. Sun light induced trifluoromethylation emerges as a highly efficient procedure to insert trifluoromethyl groups into the organic compounds. Yet, the expensive and toxic properties of the metal-based photocatalysts creates a major obstacle for the insertion of trifluoromethyl
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Spectroscopic and photophysicochemical properties of zinc(II) phthalocyanine substituted with benzenesulfonamide units containing schiff base Main Group Chem. (IF 1.5) Pub Date : 2022-11-22 Gülen Atiye Öncül, Ömer Faruk Öztürk, Mehmet Pişkin
In this study, compounds (E)-4-((5-bromo-2-hydroxy-3-methoxybenzylidene)amino)-N-(pyridin-2-yl)benzenesul-fonamide 1, (E)-4-((5-bromo-2-(3,4-dicyanophenoxy)-3-methoxybenzylidene)amino)-N-(pyridin-2-yl)benzenesulfonamide 2 and, complex 2(3),9(10),16(17),23(24)-tetra-[(E)-4-((5-bromo-3-methoxy-2-(λ 1-oxidanyl)benzylidene)amino)-N-(pyridine-2-yl)benzenesulfonamide]phthalocyaninato zinc(II) 3 were synthesized
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Parametric extraction and internal analysis of fullerene-based polymer bulk heterojunction solar cell Main Group Chem. (IF 1.5) Pub Date : 2022-11-22 Paritosh Chamola, Poornima Mittal
This paper present device model simulation describing the current-voltage characteristics of polymer/fullerene bulk heterojunction solar cell. In the research paper an organic photovoltaic device with PPV/PCBM [poly (2-methoxy-5-{3’,7’-dimethyloctyloxy}-p-phenylene vinylene) and {6,6}- phenyl C61-butyric acid methyl ester] was simulated via Silvaco TCAD 2-D simulation tool. PCBM acts as acceptor and
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Microassay validation for bacterial IAA estimation as a new fine-tuned PGPR screening assay Main Group Chem. (IF 1.5) Pub Date : 2022-11-22 Soukaina Abdelwahed, Hanen Cherif, Bilel Bejaoui, Ilhem Saadouli, Tarek Hajji, Nizar Ben Halim, Awatef Ouertani, Imen Ouzari, Ameur Cherif, Wissem Mnif, Amor Mosbah, Ahmed Slaheddine Masmoudi
The detection and quantification of Indole -3 Acetic Acid (IAA) produced by Plant growth promoting rhizobacteria (PGPR) rely on a standard well-documented assay, which remains time-consuming, laborious, and costly. These drawbacks led to sway interest to economic and reliable assays. The aim of this work is to validate and standardize a fast, reliable, and cost-effective microassay to quantify IAA
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Absorbance and emission studies in solution and the solid state and band gap determination of Pr i 3Ge(GePh 2) 4GePr i 3 Main Group Chem. (IF 1.5) Pub Date : 2022-11-23 F. Alexander Shumaker, Charles S. Weinert
The hexagermane Pri3Ge(GePh2)4GePr i3 (1) can adopt four different conformations by rotations about its germanium –germanium single bonds that differ in energy across an energy range of 31.63 kJ/mol, with the trans-coplanar arrangement having the lowest energy. Conformational changes can occur among these four structures resulting in the observation of thermochromic absorbance spectra both in solution
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Preparation and characterization of novel energetic nitrogen-rich polymers based on 1,3,5-triazine rings Main Group Chem. (IF 1.5) Pub Date : 2022-11-23 Ebrahim Rezaii, Leila Nazmi Miardan, Roghayyeh Fathi, Mehrdad Mahkam
Recently, the demand for new renewable and sustainable polymers, as well as their use as precursors to produce energetic materials, has emerged as a popular and burgeoning area of study. In this study, novel energetic nitrogen-rich polymers based on the 1,3,5-triazine ring were synthesized utilizing standard techniques. Four monomers were created initially: 4,6-dichloro-N-(4-chlorophenyl)-1,3,5-triazine-2-amine
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C-PCM study on the electronic and optical properties of Fe(CO) 4B 12N 12 complexes Main Group Chem. (IF 1.5) Pub Date : 2022-11-23 Hedieh Asadzadeh, Reza Ghiasi, Mohammad Yousefi, Sahar Baniyaghoob
We explored solvent effect on the stability, dipole moment, polarizability and first hyperpolarizability of Fe(CO)4B12N12 complexes at MPW1PW91/6-311G(d,p) level of theory. These complexes were considered in the low spin states. The self-consistent reaction field theory (SCRF) based on conductor-like polarizable continuum model (PCM) was employed to illustration of the solvent influences. The relations
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Lemon-juice derived highly efficient S-GQD/GO composite as a photocatalyst for regeneration of coenzyme under solar light Main Group Chem. (IF 1.5) Pub Date : 2022-11-23 Shesh Nath Yadav, Brijesh Kumar, Rajesh K. Yadav, Sarvesh Kumar Gupta, Pooja Singh, Chandani Singh, Atul P. Singh
The innovation of a highly efficient and inexpensive graphene oxide-based photocatalyst is a challenging task for selective solar chemical regeneration/coenzyme such as nicotinamide adenine dinucleotide (NADH). Herein, we have designed lemon-juice derived highly efficient S-GQD/GO composite as a photocatalyst for regeneration of NADH under solar light. The rational design of a highly efficient photocatalytic
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DFT, molecular docking and ADME prediction of tenofovir drug as a promising therapeutic inhibitor of SARS-CoV-2 M pro Main Group Chem. (IF 1.5) Pub Date : 2022-11-23 Siyamak Shahab, Masoome Sheikhi, Maksim Khancheuski, Hooriye Yahyaei, Hora Alhosseini Almodarresiyeh, Sadegh Kaviani
Abstract In the present work, at first, DFT calculations were carried out to study the molecular structure of the tenofovir at B3LYP/MidiX level of theory and in the water as solvent. The HOMO/LUMO molecular orbitals, excitation energies and oscillator strengths of investigated drug were also calculated and presented. NBO analysis was performed to illustrate the intramolecular rehybridization and electron
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Nano-CuO x for ciprofloxacin effective removal via wet peroxide oxidation catalysis and its practical application in wastewater Main Group Chem. (IF 1.5) Pub Date : 2022-11-23 Dan Liu, Changping Shi, Yang Nie, Wenjun Peng, Yin-an Ming
Using Cu(NO3)2·3H2O as active material and citric acid (CA) as complexing agent, heterogeneous catalyst nano-CuOx was prepared by sol-gel method. The catalytic wet peroxide oxidation (CWPO) reaction system was established accordingly. The system was used to treat ciprofloxacin (CIP) in simulated wastewater and real wastewater. The effects of the molar ratio of metal salt to CA, calcination temperature
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Synthesis of a new phenoxy-cyclophosphazene derivative Schiff base and its Ru(II), Co(III) complexes Main Group Chem. (IF 1.5) Pub Date : 2022-11-23 Kübra Nergiz, Nebahat Demirhan
In this study, a new phenoxy cyclophosphazene derivative bis(2-formyl-phenyl)4,4,6,6-bis[spiro(2’,2”-dioxy-1’,1”biphenylyl)]cyclotriphosphazene (P2) was synthesis in by the reactions between 2,2-dichloro-4,4,6,6-bis[spiro(2’,2”-dioxy-1’,1”biphenylyl)]cyclotriphosphazene (P1) with salicyl aldehyde in presence of K2CO3 at room temperature in THF under argon atmosphere, and the new phenoxy cyclophosphazene
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Evaluation of the antibacterial activity of zinc oxide nanoparticles doped with copper ions and co-doped with copper and silver ions Main Group Chem. (IF 1.5) Pub Date : 2022-11-23 Shadi Ashraf Nohegar, Arazoo Nejaei, Ebrahim Fataei, Mohammad Ebrahim Ramezani, Parvin Alizadeh Eslami
The current feasibility study deals with the elimination of Escherichia coli (gram-negative) and Staphylococcus aureus (gram-positive) bacterial strains isolated from swimming pools using zinc oxide (ZnO) nanoparticles (NPs) doped with copper (Cu2+) ions (CuX%/ZnO NPs) and co-doped with copper (Cu2+) and silver (Ag+) ions (AgX%/CuY%/ZnO NPs) synthesized by sol-gel method. Antibacterial activity was
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An analysis of preservice teachers’ scientific attitude in analytical chemistry laboratory with experiential learning Main Group Chem. (IF 1.5) Pub Date : 2022-11-22 Fatma Alkan
The aim of this study is to examine in detail the effect of experiential learning in analytical chemistry laboratory on preservice teachers’ scientific attitudes and to examine their views on the qualitative analysis in analytical chemistry laboratory. The study group consisted of 27 preservice chemistry teachers. The study was designed by mixed method. The scientific attitude scale and note to self-form
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Determination of metal ions release from orthodontic archwires in artificial saliva using inductively coupled plasma-optical emission spectrometer (ICP-OES) Main Group Chem. (IF 1.5) Pub Date : 2022-11-22 Christos Ganidis, Alexandros K. Nikolaidis, Christos Gogos, Elisabeth A. Koulaouzidou
Over the last decades many concerns have been raised regarding the migration of potentially toxic metals from the orthodontic appliances to the oral environment due to the dynamic dominant conditions. The current study aimed to investigate the effect of the oral environment acidity and aging time on the ion release from orthodontic archwires. For this purpose, dental archwires consisted of three different
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The comparative modeling of solubility of carbon dioxide in amine solutions using SAFT-HR and PC-SAFT equation of state Main Group Chem. (IF 1.5) Pub Date : 2022-11-22 Arzhang Yazdi, Azam Najafloo, Hossein Sakhaeinia, Amirhossein Saali, Vahid Pirouzfar
In this paper, we applied PC-SAFT and SAFT-HR equations of state so as to reproduce the solubility of carbon dioxide in aqueous diethanolamine solution. By using these equations, we have been able to model the solubility of carbon dioxide in aqueous amine solution in more than 350 experimental datapoints with wide range of amine molar concentration (0.01–0.12), temperature (300 K –478 K), carbon dioxide
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Synthesis, characterization, and applications of lanthanide ortho ferrites Main Group Chem. (IF 1.5) Pub Date : 2022-11-22 L. Sakaya Sheela, B. Anna Benedict, B. Jebasingh, V. Manickam, J. Sumathi
In our current study, we demonstrate that lanthanum and yttrium ortho ferrites can be synthesized using a combustion process called self-propagating, high-temperature synthesis (SHS) using lanthanum(III) oxide and yttrium(III)oxide, chromium oxide, Iron metal, and potassium perchlorate as raw materials. Synthesized lanthanide and yttrium orthoferrites were characterized by X-ray diffraction, scanning
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Preparation, characterizations and in vitro evaluation of Econazole-Betamethasone loaded solid lipid nanoparticles (SLNs) Main Group Chem. (IF 1.5) Pub Date : 2022-07-12 Kamran Khan, Shefaat Ullah Shah, Yusuf S. Althobaiti, Kifayat Ullah Shah, Aman Ullah, Adnan Amin, Muhammad Khalid Khan
Tremendous increase of fungal infections in hospitalized or immune compromised patients has been reported from the last two decades. These infections are commonly treated using econazole and miconazole that have shorter half-life and produce severe side effects. All such issues can be addressed using targeted drug delivery. We developed SNLs based formulation for the treatment of mycosis. The high
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Synthesis, characterization of dialkylated erythrosin B derivatives and their utility as a propitious anti-microbial agent Main Group Chem. (IF 1.5) Pub Date : 2022-05-04 Navjot Sandhu, Atul Pratap Singh, Satish K Pandey, Vikas D. Ghule, Ram Kumar Tittal, Rajesh Kumar Yadav, Rahul Shrivastava
The development of small molecule based drugs as an antimicrobial agent is an important area of research nowadays. In the present work, two new molecular entities based on dialkylated erythrosin B has been synthesized via Arbuzov type of rearrangement using dialkyl sulphite as a reagent in the presence of Et3N. Ethyl and methyl based dialkylated derivatives of erythrosin B were characterized using
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Aspergillus niger based lipase-tween 80 aggregates as interfacial activated biocatalyst for biodiesel production: Optimization using response surface methodology Main Group Chem. (IF 1.5) Pub Date : 2022-04-22 Bahar Ghasemzadeh, Amir Abbas Matin, Mostafa Ebadi, Biuck Habibi
Biodiesel is a renewable energy source, which is produced through transesterification reactions. Despite great attention to develop enzymatic biodiesel production, there are serious obstacles to the industrial development of it such as its cost and slow reaction rate. Along with disadvantages, there are several advantages for enzymatic biodiesel production. Higher purity of fuel and glycerol is known
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Study on the mechanism and thermodynamics of potassium leaching from phosphorus-potassium associated ore Main Group Chem. (IF 1.5) Pub Date : 2022-04-20 Yan Zhu, Liang Li, Quan Qi
This paper has mainly focused on the technology of transforming potassium minerals from phosphate-potassium associated minerals into soluble potassium by acid hydrolysis, and discussed the leaching mechanism of potassium in the process of leaching. As it is shown from the research, in the acid leaching system, [H +] = 8.71 mol L–1, m NH4F:m phosphorushboxpotassiumassociatedore = 0.25, the leaching
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Silylation of piroxicam with some silylating reagents, and characterization of them to improve some properties of this drug Main Group Chem. (IF 1.5) Pub Date : 2022-04-20 Mohammad Galehassadi, Somayeh Jodeiri, Ebrahim Rezaii
In this work, we synthesized some organosilicon derivatives of piroxicam. Due to some properties of organosilicon compounds, including increased lipophilicity and thermal stabilization and prodrug for drugs, some silyl ethers of this drug were synthesized and characterized. Increasing of the lipophilic properties of this drug can be very important in the rate of absorption and its effectiveness. We
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Theoretical study on the cycloaddition reaction of phosphenium cation and formaldehyde Main Group Chem. (IF 1.5) Pub Date : 2022-04-16 Jiandong Sun, Xiaojun Tan, Huilian Xu, Xiujun Zhang, Yan He, Jinsong Gu
The mechanism of cycloaddition reaction between phosphenium cation and phosphindene with formaldehyde has been systematically investigated at the B3LYP/6-311++G(d,p) level of theory in order to better understand the reactivity for the valence isoelectronic of carbene. Phosphenium cation acts as anelectrophilic reagent and accepts σ electrons of formaldehyde to form a complex in the first addition step
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GC-MS analysis of Taraxacum officinale flowers and investigation of antimicrobial, anti-pellicle & anti-biofilm activities Main Group Chem. (IF 1.5) Pub Date : 2022-04-11 Shumail Hoor, Tahira Hassan, Barkatullah, Shah Khalid, Naveed Akhtar, Ali Al-Qahtani, Afaf Aldahish, Taha Alqahtani, Hanan M Alharbi, Reem M. Gahtani
Plants synthesize large amount of useful and complex products which have no obvious metabolic and growth functions. These complex materials are said to be as secondary metabolites—phytochemicals which are plants active compounds possessing the potential to inhibit diseases. The purpose of the recent study was to investigate the pharmaceutical values of the flowers of Taraxacum officinale, for antimicrobial
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Microstructural, surface and electrochemical properties of electrodeposited Ni-WC nanocomposites coatings Main Group Chem. (IF 1.5) Pub Date : 2022-04-11 Lahag Lemya, Ben Temam Hachemi, Guettaf Temam Elhachmi
In this work, we study the influences of nano-sized WC particles (diameter size of ∼50 nm), concentrations on the structure, surface morphology, mechanical and electrochemical properties of Ni-WC composite coatings electrodeposited on pretreated copper substrates. The corrosion behavior of Ni-WC composite coatings was studied by the potentiodynamic polarization and electrochemical impedance spectroscopy
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The study of Letrozole adsorption upon CCT nanotube: A DFT/TD-DFT and spectroscopic (excited states and UV/Vis) Main Group Chem. (IF 1.5) Pub Date : 2022-04-08 Nasrin Masnabadi
In this research, the geometric structure of LTZ and CCT (5,0) was optimized with B3LYP/6-31G * method using the Gaussian 09W program package to investigate the weak interaction of Letrozole (LTZ) and carbon carbon nanotube (CCT). According to the calculation of the release energy, it was found that the drug delivery process is desirable. Also, the structural properties of the title compounds were
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Antimicrobial effects of Cynara scolymus essential oil: In vitro analysis Main Group Chem. (IF 1.5) Pub Date : 2022-04-08 Behnam Karimzadeh Mostafabadi, Mehrdad Ataie Kachoie, Ebrahim Rahimi
By benefits of using silicon and vermicompost based biofertilizers and also induction of drought stress for growing more efficient medicinal plants, we investigated such issues on growing Cynara scolymus (C. scolymus), as one of the most significant edible medicinal plants. In this regard, the antimicrobial effects of grown C. scolymus essential oil was investigated against some foodborne pathogens