Search Results - "Journal of molecular structure"

Improving copper(II) ion detection and adsorption from wastewater by the ligand-functionalized composite adsorbent by Salman, Md. Shad, Hasan, Md. Nazmul, Hasan, Md. Munjur, Kubra, Khadiza Tul, Sheikh, Md. Chanmiya, Rehan, Ariyan Islam, Waliullah, R.M., Rasee, Adiba Islam, Awual, Mrs Eti, Hossain, Mohammed Sohrab, Alsukaibi, Abdulmohsen K.D., Alshammari, Hamed M., Awual, Md. Rabiul

“…•An organic ligand-based composite adsorbent was fabricated for Cu(II) capturing.•The facile adsorbent was shown extreme sensitivity to Cu(II) ion at optimum…”
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An over review on recently developed techniques, mechanisms and intermediate involved in the advanced azo dye degradation for industrial applications by Selvaraj, V., Swarna Karthika, T., Mansiya, C., Alagar, M.

“…•The current article reviews about introduction to azo dyes, the various techniques involved for the bio-degradation and photocatalysis degradation of azo dyes…”
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Assessing sustainable Lutetium(III) ions adsorption and recovery using novel composite hybrid nanomaterials by Hasan, Md. Nazmul, Salman, Md. Shad, Hasan, Md. Munjur, Kubra, Khadiza Tul, Sheikh, Md. Chanmiya, Rehan, Ariyan Islam, Rasee, Adiba Islam, Awual, Mrs Eti, Waliullah, R.M., Hossain, Mohammed Sohrab, Islam, Aminul, Khandaker, Shahjalal, Alsukaibi, Abdulmohsen K.D., Alshammari, Hamed M., Awual, Md. Rabiul

“…•The sustainable ligand-based composite material was prepared for Lu(III) adsorption and recovery.•The materials were shown high selectivity toward Lu(III) ion…”
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Green synthesis and characterization of zinc oxide nanoparticles with antibacterial and antifungal activity by Pillai, Akhilash Mohanan, Sivasankarapillai, Vishnu Sankar, Rahdar, Abbas, Joseph, Jithu, Sadeghfar, Fardin, Anuf A, Ronaldo, Rajesh, K., Kyzas, George Z.

“…The present study involves synthesis of zinc oxide nanoparticles (ZnO-NPs) through a rapid, cost effective and eco-friendly method using four different plant…”
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DFT studies on vibrational and electronic spectra, HOMO–LUMO, MEP, HOMA, NBO and molecular docking analysis of benzyl-3-N-(2,4,5-trimethoxyphenylmethylene)hydrazinecarbodithioate by Mumit, Mohammad Abdul, Pal, Tarun Kumar, Alam, Md Ashraful, Islam, Md Al-Amin-Al-Azadul, Paul, Subrata, Sheikh, Md Chanmiya

“…Benzyl-3-N-(2,4,5-trimethoxyphenylmethylene)hydrazinecarbodithioate (compound 1) is a bidentate and nitrogen-sulfur containing Schiff base, which has been…”
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Adsorption of doxorubicin hydrochloride onto thermally treated green adsorbent: Equilibrium, kinetic and thermodynamic studies by Altalhi, Tariq A., Ibrahim, Mohamed M., Mersal, Gaber A.M., Mahmoud, M.H.H., Kumeria, Tushar, El-Desouky, Mohamed G., El-Bindary, Ashraf A., El-Bindary, Mohamed A.

“…•Synthesis and Characterization of MSAC.•Studies adsorption of Doxorubicin Hydrochloride at MSAC.•Studying the mechanism of adsorption and rate controlling…”
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Synthesis and characterization of magnetic ZnCl2-activated carbon produced from coconut shell for the adsorption of methylene blue by Yağmur, Hatice Karaer, Kaya, İsmet

“…•Magnetic particles as a adsorbent was produced from coconut shell with low cost material.•Magnetic particles were successfully coated on active carbon…”
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Synthesis, X-ray structure, vibrational spectroscopy, DFT, biological evaluation and molecular docking studies of (E)-N’-(4-(dimethylamino)benzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide by Karrouchi, Khalid, Brandán, Silvia A., Sert, Yusuf, El-marzouqi, Hakima, Radi, Smaail, Ferbinteanu, Marilena, Faouzi, My El Abbes, Garcia, Yann, Ansar, M’hammed

“…New crystal, (E)-N’-(4-(dimethylamino)benzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide (3) has been synthesized and characterized by FT-IR, NMR, ESI-MS and…”
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Glucokinase activity enhancement by cellulose nanocrystals isolated from jujube seed: A novel perspective for type II diabetes mellitus treatment (In vitro) by Maheri, Hamid, Hashemzadeh, Fatemeh, Shakibapour, Niloofar, Kamelniya, Elahe, Malaekeh-Nikouei, Bizhan, Mokaberi, Parisa, Chamani, Jamshidkhan

“…•Glucokinase is an enzyme in glycolytic pathway,which phosphorylating glucose into glucose-6-phosphate.•Cellulose nanocrystals are a natural, non-toxic, and…”
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Effective adsorption of doxorubicin hydrochloride on zirconium metal-organic framework: Equilibrium, kinetic and thermodynamic studies by AlHazmi, Gamil A.A., AbouMelha, Khlood S., El-Desouky, Mohamed G., El-Bindary, Ashraf A.

“…•Synthesis and charaterization of Zr-MOF.•Study tha adsorption isotheerm and kinetic of Effective adsorption ofDOX.•Statistical and physical simulation…”
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Photocatalytic degradation of organic dyes in the presence of nanostructured titanium dioxide by Kiwaan, H.A., Atwee, T.M., Azab, E.A., El-Bindary, A.A.

“…Titanium dioxide photocatalyst was synthesized through a low temperature co-precipitation process using TiCl4 as a precursor for degradation of Rhodamine B…”
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Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein by Kulkarni, Seema A., Nagarajan, Santhosh Kumar, Ramesh, Veena, Palaniyandi, Velusamy, Selvam, S. Periyar, Madhavan, Thirumurthy

“…COVID-19, caused by SARS-CoV-2 has recently emerged as a global pandemic. Intense efforts are ongoing to find a vaccine or a drug to control the disease across…”
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An investigation of two heterobimetallic [Cu(II)2Ln(III)] (Ln = La and Ce) complexes of a more flexible bis(salamo)‐type ligand by Ma, Long-Jun, Li, Xun, Yan, Yuan-Ji, Yue, Yong-Ning, Dong, Wen-Kui

“…•Heterobimetalic [Cu(II)2Ln(III)] (Ln = La and Ce) complexes were synthesized and characterized structurally.•It can be seen from complex 2 that the…”
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Evaluation of the binding behavior of olmutinib (HM61713) with model transport protein: Insights from spectroscopic and molecular docking studies by Kou, Song-Bo, Lin, Zhen-Yi, Wang, Bao-Li, Shi, Jie-Hua, Liu, Ying-Xin

“…•Binding behavior between olmutinib (OMT) with model transport protein, BSA was investigated.•Binding affinity between OMT with BSA is stronger with the Kb of…”
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Antimalarial potential of naphthalene-sulfonic acid derivatives: Molecular electronic properties, vibrational assignments, and in-silico molecular docking studies by Benjamin, Innocent, Udoikono, Akaninyene D., Louis, Hitler, Agwamba, Ernest C., Unimuke, Tomsmith O., Owen, Aniekan E., Adeyinka, Adedapo S.

“…•Derivatives of naphthalene-2-sulfonic acids: AZDH1, AZDH2, AZDH3, and AZDH4 have been synthesized and spectroscopically characterized by FT-IR, UV, and…”
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An overview on applications of SwissADME web tool in the design and development of anticancer, antitubercular and antimicrobial agents: A medicinal chemist's perspective by Bakchi, Bulti, Krishna, Ambati Dileep, Sreecharan, Ekambarapu, Ganesh, Veeramallu Bala Jaya, Niharika, Muraboina, Maharshi, Suryadevara, Puttagunta, Srinivasa Babu, Sigalapalli, Dilep Kumar, Bhandare, Richie R., Shaik, Afzal B.

“…•In silico methods are routinely employed for the discovery of novel therapeutic agents.•Different kinds of in silico tools are utilized in order to predict…”
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Synthesis, spectral characterization, crystal structure and antibacterial activity of nickel(II), copper(II) and zinc(II) complexes containing ONNO donor Schiff base ligands by Kargar, Hadi, Ardakani, Amir Adabi, Tahir, Muhammad Nawaz, Ashfaq, Muhammad, Munawar, Khurram Shahzad

“…•Synthesis of tetradentate ONNO-donor Schiff base metal complexes.•Characterization of synthesized compounds using various spectroscopic techniques.•Chemical…”
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Synthesis and intensive characterization for novel Zn(II), Pd(II), Cr(III) and VO(II)-Schiff base complexes; DNA-interaction, DFT, drug-likeness and molecular docking studies by Abu-Dief, Ahmed M., El-khatib, Rafat M., Aljohani, Faizah S., Alzahrani, Seraj Omar, Mahran, Asmaa, Khalifa, Mohamed E., El-Metwaly, Nashwa M.

“…•Some novel Schiff base complexes were synthesized and characterized.•Antimicrobial activities of the prepared compounds were screened.•Interaction of the…”
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Molecular structural aspects of organic corrosion inhibitors: Experimental and computational insights by Chauhan, Dheeraj Singh, Verma, Chandrabhan, Quraishi, M.A.

“…•Effect of molecular structure on corrosion inhibition is surveyed.•An overview of corrosion, and corrosion inhibitors is presented.•Computational methods of…”
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Preparation methods of different nanomaterials for various potential applications: A review by El-Khawaga, Ahmed M., Zidan, Alaa, El-Mageed, Ahmed I. A. Abd

“…•This review highlights the different types as well as the different methods used in the synthesis and/or preparation of different nanomaterials.•There are…”
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