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| Vol 12, No 2 (2021): June 2021 |
Molecular docking analysis on the interaction between bovine serum albumin and three commercial fluoroquinolones: Ciprofloxacin, enrofloxacin and pefloxacin |
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Otavio Augusto Chaves, Leonardo Vazquez |
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| Vol 8, No 3 (2017): September 2017 |
Structural characterization, biological evaluation and DNA interaction of some potential drugs based on bifunctional aldehyde functionality |
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Mehwish Naz, Zareen Akhter, Ayesha Zaka, Bushra Mirza, Vickie McKee, Ehsan Ullah, Michael Bolte |
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| Vol 1, No 3 (2010): September 2010 |
On the Structure of Liquid Methyl Salicylate: the Role of Intramolecular Hydrogen Bonding |
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Santiago Aparicio, Rafael Alcalde |
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| Vol 13, No 4 (2022): December 2022 |
A density functional study of the coronene-pyrrole system in relation to its possible application as NO2 and NH3 sensors |
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Cinthya Susana Olmedo-Martinez, Jesus Moises Hernandez-Duarte, Roberto Mejia-Olvera, Sandy Maria Pacheco-Ortin, Esther Agacino-Valdes |
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| Vol 12, No 3 (2021): September 2021 |
N'-(Pyridin-3-ylmethylene)benzenesulfonohydrazide: Crystal structure, DFT, Hirshfeld surface and in silico anticancer studies |
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Ifeyinwa Stella Ozochukwu, Obinna Chibueze Okpareke, David Chukwuma Izuogu, Akachukwu Ibezim, Oguejiofo Theophilus Ujam, Jonnie Niyi Asegbeloyin |
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| Vol 6, No 1 (2015): March 2015 |
Conductometric, spectrophotometric and thermodynamic studies of nickel sulfate in aqueous polyvinyl alcohol + methanol systems at different temperatures |
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Summyia Masood, Rehana Saeed, Maria Ashfaq |
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| Vol 8, No 1 (2017): March 2017 |
Crystal structure of 7-methoxy-1-{[(E)-2,6-dimethylphenylimino] (phenyl)methyl}-2-naphthol: Clarification of non-covalent bonding interactions on the basis of spatial organization of single molecular structure and the molecular alignments |
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Kazuki Ogata, Atsushi Nagasawa, Noriyuki Yonezawa, Akiko Okamoto |
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| Vol 11, No 2 (2020): June 2020 |
Molecular mechanistic vision on binding interaction of triptan drug, a serotonin (5-HT1) agonist with human serum albumin through multispectral and computational assessments |
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Manjushree Makegowda, Revanasiddappa Hosakere Doddarevanna |
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| Vol 1, No 4 (2010): December 2010 |
Interaction of charge transfer fluorescence probe with non-ionic surfactants: Estimation of physico-chemical properties and association constant |
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Takhellambam Sanjoy Singh, Sivaprasad Mitra |
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| Vol 13, No 3 (2022): September 2022 |
Evaluation of the effects of significant factors and interactions on the enrichment of arsenic and chromium by pipette tip solid phase extraction using novel P-ZrO2CeO2ZnO nanoparticles/alginate beads |
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Nichodimus Hokonya, Courtie Mahamadi, Netai Mukaratirwa Muchanyereyi, Timothy Gutu |
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| Vol 11, No 3 (2020): September 2020 |
Crystal structure of 4-(dimethylamino)pyridin-1-ium-2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olate) 4-dimethylaminopyridine (2:1) water undeca-solvate |
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Alebel Nibret Belay, Johan Andries Venter, Orbett Teboho Alexander |
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| Vol 7, No 4 (2016): December 2016 |
Ab initio calculation of hydration and proton transfer on sulfonated nata de coco |
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Sitti Rahmawati, Cynthia Linaya Radiman, Muhamad Abdulkadir Martoprawiro |
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| Vol 7, No 3 (2016): September 2016 |
Study of redox behavior of Cu(II) and interaction of Cu(II) with lysine in the aqueous medium using cyclic voltammetry |
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Esam Arafa Gomaa, Amr Negm, Mohamed Abdel Khalek Tahoon |
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| Vol 10, No 4 (2019): December 2019 |
Detailed analytical studies of 1,2,4-triazole derivatized quinoline |
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Shilpa Mallappa Somagond, Manjunath Ningappa Wari, Saba Kauser Jaweed Shaikh, Sanjeev Ramchandra Inamdar, Madan Kumar Shankar, Dasappa Jagadeesh Prasad, Ravindra Ramappa Kamble |
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| Vol 1, No 4 (2010): December 2010 |
Thermodynamic investigation of a new water-soluble porphyrin with calf thymus DNA |
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Hamid Dezhampanah, Abdol-Khalegh Bordbar, Shahram Tangestaninejad |
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| Vol 12, No 3 (2021): September 2021 |
Theoretical study of the adsorption of BMSF-BENZ drug for osteoporosis disease treatment on Al-doped carbon nanotubes (Al-CNT) as a drug delivery vehicle |
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Zaid Husham Al-Sawaff, Serap Senturk Dalgic, Fatma Kandemirli |
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| Vol 13, No 3 (2022): September 2022 |
A new hydrazide functionalized Schiff’s base derivative: Insights into crystallography, Hirshfeld surface, and energy framework analysis |
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Vivek Prakash Malviya, Archisman Dutta |
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| Vol 11, No 2 (2020): June 2020 |
Synthesis, crystal structure, Hirshfeld surface and interaction energies analysis of 5-methyl-1,3-bis(3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione |
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Koffi Senam Etse, Laura Comeron Lamela, Guillermo Zaragoza, Bernard Pirotte |
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| Vol 4, No 3 (2013): September 2013 |
Potentiometric determination of stability constants and thermodynamic data for ternary Cd(II) complexes with 2-aminomethyl benzimidazole (AMBI) and other bioactive ligands |
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Mutlaq Shedeed Aljahdali |
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| Vol 10, No 2 (2019): June 2019 |
Spectroscopic and molecular docking elucidation to binding characteristics of bovine serum albumin with bupropion an aminoketone-medication for nicotine addiction |
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Manjushree Makegowda, Revanasiddappa Hosakere Doddarevanna |
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| Vol 2, No 3 (2011): September 2011 |
Synthesis, characterization, antioxidant, antimicrobial, DNA binding and cleavage studies of mononuclear Cu(II) and Co(II) complexes of 3-hydroxy-N'-(2-hydroxybenzylidene)-2-naphthohydrazide |
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Linganna Shiva Kumar, Kollur Shiva Prasad, Hosakere Doddarevanna Revanasiddappa |
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| Vol 8, No 2 (2017): June 2017 |
Crystal structure of 1-benzoyl-2,7-dimethoxy-8-(3,5-dimethylbenzoyl) naphthalene: Head-to-head fashioned molecular motif for accumulating weak non-classical hydrogen bonds |
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Takeshi Yokoyama, Takahiro Mido, Genta Takahara, Kazuki Ogata, Elżbieta Chwojnowska, Noriyuki Yonezawa, Akiko Okamoto |
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| Vol 7, No 2 (2016): June 2016 |
Interaction of C10, C11 and C18 fatty acids with calcite surface as revealed by IR spectroscopy, X-ray diffraction and atomic force microscopy |
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Belkacem Benaissa, Mustapha Bouhenguel, Ahcene Bouchemma |
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| Vol 13, No 1 (2022): March 2022 |
Theoretical study of a single-walled carbon nanotube and a cellulose biofiber as 5-fluorouracil anti-cancer drug carriers |
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Eshraq Ahmed Abdullah |
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| Vol 7, No 4 (2016): December 2016 |
Synthesis, characterization, anticancer activity, optical spectroscopic and docking studies of novel thiophene-2-carboxaldehyde derivatives |
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Mohamed Ahadu Shareef, Mohamed Musthafa, Devadasan Velmurugan, Subramani Karthikeyan, Singaravelu Ganesan, Syed Ali Padusha, Saiyad Musthafa, Jamal Mohamed |
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| Vol 14, No 1 (2023): March 2023 |
Quinoline analogue as a potential inhibitor of SARS-CoV-2 main protease: ADMET prediction, molecular docking and dynamics simulation analysis |
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Praveen Kumar, Santhosha Sangapurada Mahantheshappa, Sakthivel Balasubramaniyan, Nayak Devappa Satyanarayan, Rajeshwara Achur |
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| Vol 13, No 1 (2022): March 2022 |
Synthesis, antimicrobial, and antitubercular evaluation of new Schiff bases with in silico ADMET and molecular docking studies |
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Sakshith Raghavendra Prasad, Nayak Devappa Satyanarayan, Avarse Satish Kumar Shetty, Basaiah Thippeswamy |
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| Vol 12, No 4 (2021): December 2021 |
Comparative assessment of some benzodiazepine drugs based on Density Functional Theory, molecular docking, and ADMET studies |
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Monir Uzzaman, Amrin Ahsan, Mohammad Nasir Uddin |
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| Vol 8, No 4 (2017): December 2017 |
Thermodynamic and kinetic studies on interaction of some transition metal ions with tryptophan |
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Ebrahim Ghiamati, Zahra Abazari |
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| Vol 13, No 2 (2022): June 2022 |
Synthesis, X-ray crystal structure, DFT, Hirshfeld surfaces, energy frameworks, and molecular docking analysis of a bicyclic ortho-aminocarbonitrile derivative |
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Ruchika Sharma, Sandeep Ashok Sankpal, Pradeep Jangonda Patil, Saminathan Murugavel, Sonachalam Sundramoorthy, Rajni Kant |
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| Vol 11, No 3 (2020): September 2020 |
Direct synthesis and crystal structure of a novel tetranuclear Co2IIIFe2III Schiff base complex |
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Eduard Nikolaevich Chygorin, Vladimir Nikolayevich Kokozay, Iryna Vasylivna Omelchenko, Julia Anatoliyivna Rusanova |
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| Vol 10, No 1 (2019): March 2019 |
QSAR and molecular docking studies on 4-quinoline carboxylic acid derivatives as inhibition of vesicular stomatitis virus replication |
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Tawassl Tajelsir Hassan Hajalsiddig, Ahmed Elsadig Mohammed Saeed |
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| Vol 11, No 2 (2020): June 2020 |
In silico screening for the interaction of small molecules with their targets and evaluation of therapeutic efficacy by free online tools |
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Praveen Kumar, Nayak Devappa Satyanarayan, Subba Rao Venkata Madhunapantula, Hulikal Shivashankara Santhosh Kumar, Rajeshwara Achur |
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| Vol 3, No 3 (2012): September 2012 |
Theoretical free energies of electron transfer, electrochemical properties, electron transfer kinetic and quantitative structural relationships studies of alkynyldihydrofullerene in [X-UT-Y][R-C60–M+] supramolecular complexes |
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Avat Arman Taherpour, Masomeh Tayebi-Suraki, Nosratollah Mahdizadeh |
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| Vol 2, No 4 (2011): December 2011 |
Electrochemical study of the metal extractant 4-chloro-N-8-quinolinylbenzenesulfonamide |
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Marta Huebra, Maria Puy Elizalde |
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| Vol 14, No 1 (2023): March 2023 |
Spectroscopic study of solvent effects on the electronic absorption spectra of morpholine and its complexes |
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Mamdouh Saad Masoud, Alaa Eldin Ali, Gehan Shaaban Elasala, Rehab Elsaid Elwardany |
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| Vol 12, No 4 (2021): December 2021 |
Crystal structure, Hirshfeld surface, and DFT studies of 4-((pyrrolidin-1-ylsulfonyl)methyl)aniline |
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Soundararajan Krishnan, Thanigaimani Kaliyaperumal, Ramalingam Marimuthu, Sethuraman Velusamy |
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| Vol 4, No 2 (2013): June 2013 |
Crystal structure and spectroscopic study of bis-tetrapropylammonium hexachlorodicuprate(II), [N(C3H7)4]2Cu2Cl6 |
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Ikram Dhouib, Philippe Guionneau, Stanislav Pechev, Tahar Mhiri, Zakaria Elaoud |
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| Vol 9, No 3 (2018): September 2018 |
Structural characterization and crystal packing of the isoquinoline derivative |
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Viktor Vrabel, Lubomir Svorc, Julius Sivy, Stefan Marchalin, Peter Safar |
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| Vol 12, No 4 (2021): December 2021 |
Synthesis, crystal structure, DFT studies, and Hirshfeld surface analysis of N,N'-bis(3-quinolyl-methylene)diphenylethanedione dihydrazone |
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Goutam Kumar Patra, Amit Kumar Manna, Dinesh De |
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| Vol 7, No 3 (2016): September 2016 |
Design, synthesis and molecular docking studies of some morpholine linked thiazolidinone hybrid molecules |
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Javeed Ahmad War, Santosh Kumar Srivastava, Savitri Devi Srivastava |
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| Vol 11, No 2 (2020): June 2020 |
Rationale design and synthesis of some novel imidazole linked thiazolidinone hybrid molecules as DNA minor groove binders |
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Javeed Ahmad War, Santosh Kumar Srivastava |
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| Vol 8, No 4 (2017): December 2017 |
Synthesis, single crystal X-ray diffraction, Hirshfeld surface and biological activity of quinolone derivatives |
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Huma Bano, Sarah Shafi, Hina Siddiqui, Muhammad Iqbal Choudhary, Sammer Yousuf |
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| Vol 9, No 4 (2018): December 2018 |
Synthesis, characterization and crystal structure of platinum(II) complexes with thiourea derivative ligands |
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Ebru Keskin, Ummuhan Solmaz, Gun Binzet, Ilkay Gumus, Hakan Arslan |
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| Vol 2, No 1 (2011): March 2011 |
Modeling of cation diffusion in bifunctional polymers based on cis-tetraphenylcalix[4]resorcinarene |
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Heinrich Naumovich Altshuler, Olga Heinrichovna Altshuler |
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| Vol 13, No 4 (2022): December 2022 |
Rationalization of supramolecular interactions of a newly synthesized binuclear Cu(II) complex derived from 4,4′,6,6′-tetramethyl 2,2′-bipyrimidine ligand through Hirshfeld surface analysis |
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Samit Pramanik, Subrata Mukhopadhyay, Kinsuk Das |
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| Vol 7, No 3 (2016): September 2016 |
Eco-friendly UPLC method for determination of Levetiracetam and its toxic related substance |
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Nehal Fayek Farid, Nada Sayed Abdelwahab |
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| Vol 9, No 3 (2018): September 2018 |
Comparison of the leaving groups during the study of the aquation of halopentaammine cobalt(III) complex in tartarate at different percentage of tert-butanol |
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Farah Samih Zeitouni, Mohammad Fawzi Amira, Gehan Moustafa El-Subruiti, Ghassan Omar Younes |
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| Vol 2, No 1 (2011): March 2011 |
Voltammetric and viscometric studies of flavonoids interactions with DNA at physiological conditions |
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Syed Tajammul Hussain, Asima Siddiqa |
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| Vol 3, No 2 (2012): June 2012 |
Tetra-n-butylammonium fluoride-mediated dimerization of (α-methylbenzylidene)malononitriles to form polyfunctional 5,6-dihydropyridines derivatives under solvent-free conditions |
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Abdul Hameed, Ayaz Anwar, Sammer Yousaf, Khalid Mohammed Khan, Fatima Zahra Basha |
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| Vol 12, No 2 (2021): June 2021 |
Crystallographic identification of a novel 2,4,5-tri(N-methyl-4-pyridinium)-1,3-thiazole with a complex network of polyiodide/iodine counter ions and co-crystallized cyclododecasulfur (S12) |
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Ibukun Oluwaseun Shotonwa, Rene T. Boere |
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| Vol 7, No 1 (2016): March 2016 |
Synthesis and characterization of some new 4-heteroaryl quinazoline and fused triazolo quinazoline derivatives |
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Yaser Abdel-Moemen El-Badry, Ekhlass Nassar, Mahr Abdel-Aziz El-Hashash |
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| Vol 10, No 3 (2019): September 2019 |
Crystal structure and Hirshfeld surface analysis of N-(2-(N-methylsulfamoyl)phenyl)formamide: Degradation product of 2-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide |
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Koffi Senam Etse, Guillermo Zaragoza, Bernard Pirotte |
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| Vol 3, No 1 (2012): March 2012 |
A novel method for tizanidine hydrochloride determination in aqueous solution based on fluorescence quenching of functionalised CdS quantum dots as luminescent probes |
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Marwa Ahmed Fouad, Ehab Farouk Elkady |
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| Vol 8, No 2 (2017): June 2017 |
Correlation analysis of the rates of solvolysis of 4-bromopiperidine: A reaction following a Grob fragmentation pathway |
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Dennis Neil Kevill, Zoon Ha Ryu, Malcolm John D’Souza |
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| Vol 6, No 3 (2015): September 2015 |
Solvatochromic absorption and fluorescence studies of adenine, thymine and uracil thio-derived acyclonucleosides |
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Hassan Hasan Hammud, Mohammad Hasan El-Dakdouki, Nada Mohamd Sonji, Kamal Hani Bouhadir |
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| Vol 10, No 2 (2019): June 2019 |
Synthesis, characterization, structural features and cytotoxicity of innovative zinc(II) complex derived from ONS-donor thio-Schiff base of acyl pyrazolone |
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Irfan Shaikh, Aliasgar Vohra, Ranjitsinh Devkar, Rajendrasinh Jadeja |
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| Vol 13, No 2 (2022): June 2022 |
Synthesis, molecular docking, and biological evaluation of methyl-5-(hydroxyimino)-3-(aryl-substituted)hexanoate derivatives |
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Parashuram Gudimani, Samundeeswari Lokesh Shastri, Varsha Pawar, Nagashree Uday Hebbar, Lokesh Anand Shastri, Shrinivas Joshi, Shyam Kumar Vootla, Sheela Khanapure, Vinay Sunagar |
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| Vol 11, No 4 (2020): December 2020 |
Effect of inclusion of citric acid and Lutrol® F-68 on ziprasidone and β-cyclodextrin complexation: Characterization, solubility and dissolution studies |
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Vaishali Yogesh Londhe, Sreevidya Ramesh Krishnan |
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| Vol 6, No 2 (2015): June 2015 |
Synthesis, spectral characterization, antimicrobial, DNA binding and antioxidant studies of Co(II), Ni(II), Cu(II) and Zn(II) metal complexes of novel thiosalen analog N2S2 |
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Sabry Hamed Seda, Ayman Ahmed Abdel Aziz |
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| Vol 11, No 3 (2020): September 2020 |
Synthesis and pharmacological evaluation of new fluorine substituted pyrimido[1,2-b][1,2,4]triazines and [1,3,5]-triazino-[1,2-b][1,2,4]triazines derived as CDK2 potential inhibitors |
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Dina Bakhotmah, Fatimah Alotaibi |
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| Vol 14, No 1 (2023): March 2023 |
Synthesis, crystal structure, DFT and Hirshfeld surface analysis of 4-fluoro-N-(1,3-dioxoisoindolin-2-yl)benzamide |
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Ramakrishnan Elancheran, Balakrishnan Karthikeyan, Subramanian Srinivasan, Kuppusamy Krishnasamy, Senthamaraikannan Kabilan |
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| Vol 9, No 4 (2018): December 2018 |
Crystal growth and some physicochemical studies on an organic intermolecular compound of anthranilic acid and N,N-dimethylamino benzaldehyde |
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Uma Shanker Rai, Manjeet Singh, Rama Nand Rai |
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| Vol 3, No 1 (2012): March 2012 |
Conventional and microwave assisted synthesis of 2-amino-4,6-diaryl pyrimidine derivatives and their cytotoxic, anti-oxidant activities |
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Mohammed Rayees Ahmad, Vedula Girija Sastry, Yejella Rajendra Prasad, Mohammed Haseebur Rahman Khan, Nasreen Bano, Syed Anwar |
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| Vol 13, No 2 (2022): June 2022 |
Synthesis, crystal structure, and antidiabetic property of hydrazine functionalized Schiff base: 1,2-Di(benzylidene)hydrazine |
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Nilankar Diyali, Meena Chettri, Abhranil De, Bhaskar Biswas |
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| Vol 13, No 2 (2022): June 2022 |
Describing auxin solid state intermolecular interactions using contact descriptors, shape property and molecular fingerprint: comparison of pure auxin crystal and auxin-TIR1 co-crystal |
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Kodjo Djidjole Etse, Koffi Senam Etse, Marie-Luce Akossiwoa Quashie |
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| Vol 2, No 4 (2011): December 2011 |
Studies on ion-pairing effects of the kinetics of aquation of bromopentaammine cobalt(III) complex in malonate media |
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Farah Samih Zeitouni, Gehan Moustafa El-Subruiti, Ghassan Omar Younes, Mohammad Fawzi Amira |
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| Vol 2, No 3 (2011): September 2011 |
Crystal structure of N,N,N',N'-tetramethylethylenediammonium dinitrate |
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Zaouali Zgolli Donia, Hbib Boughzala, Ahmed Driss |
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| Vol 4, No 3 (2013): September 2013 |
Synthesis, characterization and thermochemistry of piperazine complexes of bivalent metal bromides |
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Pedro Oliver Dunstan, Abdul Majeed Khan |
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| Vol 3, No 4 (2012): December 2012 |
Synthesis and characterization of 1,3-bis(4-bromophenyl)-5-propyl-1,3,5-triazinane |
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Leila Lefrada, Ahcene Bouchemma, Mustapha Bouhenguel, Amel Ferhati, Mahmoud Chebbah |
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| Vol 7, No 2 (2016): June 2016 |
Heteroaromatization with 4-phenyldiazenyl-1-naphthol. Part I: Synthesis of some new naphthopyrans and naphthopyranopyrimidines |
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Ibrahim Ali Radini, Ashraf Hassan Fekry Abd El-Wahab |
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