Synthesis, crystal structure, hydrogen bond patterns and Hirshfeld surface analysis of (S)-5-(4-hydroxybenzyl)-imidazolidine-2,4‑dione (English)
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In:
Journal of Molecular Structure
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1250
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2021
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Synthesis, crystal structure, hydrogen bond patterns and Hirshfeld surface analysis of (S)-5-(4-hydroxybenzyl)-imidazolidine-2,4‑dione
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Contributors:Delgado, Gerzon E. ( author ) / Mora, Asiloé J. ( author ) / Narea, Pilar ( author ) / Chacón, Cecilia ( author ) / Marroquin, Gustavo ( author ) / Hernández, Benjamín ( author ) / Cisterna, Jonathan ( author ) / Brito, Iván ( author )
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Published in:
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Publication date:2021-10-17
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 1250
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
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An inorganic-organic hybrid polyoxotungstogermanate based on [Ln(α-GeW11O39)2] dimer and dimethylammonium: Synthesis, crystal structure and photoluminescence propertyJing, Ji-Xin / Shi, Nian / Sun, Yan-Qiong / Li, Xin-Xiong / Zheng, Shou-Tian et al. | 2021
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Structure and properties of the (α-PicH)3[RhCl6] salt containing 2-methylpyridinium cationsVasilchenko, Danila B. / Plyusnin, Pavel E. / Filatov, Evgeniy Yu / Baidina, Iraida A. / Asanova, Tatiyana I. / Kolesov, Boris A. / Korenev, Sergey V. et al. | 2021
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Synthesis of drynaran and analoguesMendes, Lorena Lessa / Varejão, Jodieh Oliveira Santana / Terra, Felipe Martins / Neto, João Honorato de A. / Varejão, Eduardo Vinícius Vieira et al. | 2021
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Fabrication of KDF-loaded chitosan-oligosaccharide-encapsulated konjac glucomannan/sodium alginate/zeolite P microspheres with sustained-release antimicrobial activityYang, Zhongxin / Zhang, Xiaonan / Li, Yuyan / Fu, Bei / Yang, Yuhang / Chen, Nanchun / Wang, Xiuli / Xie, Qinglin et al. | 2021
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Synthesis, crystal structure, hydrogen bond patterns and Hirshfeld surface analysis of (S)-5-(4-hydroxybenzyl)-imidazolidine-2,4‑dioneDelgado, Gerzon E. / Mora, Asiloé J. / Narea, Pilar / Chacón, Cecilia / Marroquin, Gustavo / Hernández, Benjamín / Cisterna, Jonathan / Brito, Iván et al. | 2021
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Ultrasound assisted Cu-catalyzed decarbonylative Sonogashira coupling-cyclization strategy: Synthesis and evaluation of 3-heteroarylmethylene isoindolin-1-ones against SIRT1Ganapathisivaraja, P. / Rao, G. Venkata Nageswara / Ramarao, Abburi / Tej, Mandava Bhuvan / Praneeth, Muthineni Sai / Kapavarapu, Ravikumar / Rao, Mandava V. Basaveswara / Pal, Manojit et al. | 2021
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Optical investigation, electric properties and DFT computational studies of a promising nonlinear optic hybrid material: 2-ammoniumbenzamide nitrate single crystalBahrouni, Yahya / Hamdaoui, Nejeh / Rayssi, Ch. / Ayed, Brahim et al. | 2021
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Molecular structure and catalytic activity of Fe(III) coordination compound with ONO-donor hydrazone ligand in the oxidation of cyclooctene by H2O2Goorchibeygi, Simin / Bikas, Rahman / Soleimani, Majid / Siczek, Milosz / Lis, Tadeusz et al. | 2021
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A new coordination compound based on 3, 3′-bis(1H-tetrazol-5-yl)-4, 4′-azofurazan (H2BTZAF): Preparation, crystal structure, and thermal propertiesWei, Chenli / Guo, Zeyu / Li, Yongjie / Huang, Jie et al. | 2021
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Two Novel Rare Earth Coordination Polymers Derived from Zwitterionic 1,3-Bis(1-carboxylatoethyl)imidazolium Bromide: Structures and Magnetic PropertiesLiu, Mengchen / Yin, Qianqian / Zhong, Shengnan / Sun, Huimin / Wang, Yibo / Liu, Shuai / Wang, Jing / Diao, Yanyan / Yang, Feifei / Xin, Tingting et al. | 2021
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The tendency of the charge transfer system, derived from chloranilic acid and 2-amino-2-(hydroxymethyl)-1,3-propanediol towards copper(II) complex-formation: characterization, anion impact, and biological studiesElbadawy, Hemmat A. / El-Dissouky, Ali / Attia, Asmaa A. / Khalil, Tarek E. et al. | 2021
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Regio- and stereoselective synthesis of spiro-heterocycles bearing the pyrazole scaffold via [3+2] cycloaddition reactionIslam, Mohammad Shahidul / Haukka, Matti / Soliman, Saied M. / Al-Majid, Abdullah Mohammed / Rahman, A.F.M. Motiur / Bari, Ahmed / Barakat, Assem et al. | 2021
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Deciphering non-covalent interactions of 1,3-Benzenedimethanaminium bis(trioxonitrate): Synthesis, empirical and computational studyGatfaoui, Sofian / Issaoui, Noureddine / Brandán, Silvia Antonia / Medimagh, Mouna / Al-Dossary, Omar / Roisnel, Thierry / Marouani, Houda / Kazachenko, Aleksandr S. et al. | 2021
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Synthesis and in vitro anticancer activity evaluation of spiro[indolo[2,1-b]quinazoline-pyrano[2,3-c]pyrazole] via sequential four-component reactionSadeghian, Zahra / Bayat, Mohammad / Safari, Fatemeh et al. | 2021
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Novel β‑hydroxy ketones: Synthesis, spectroscopic characterization, molecular docking, and anticancer activity studiesKucuk, Hatice Baspinar / Kanturk, Gokhan / Yerlikaya, Serife / Yildiz, Tulay / Senturk, Ahmet Mesut / Guzel, Mustafa et al. | 2021
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Palladated composite of Cu-BDC MOF and perlite as an efficient catalyst for hydrogenation of nitroarenesSadjadi, Samahe / Koohestani, Fatemeh et al. | 2021
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A simple but effective ferrocene-based dual-channel colorimetric acetate electro-optical chemosensorSun, Meng / Wang, Xue / Shang, Xiaomin / Zhao, Xiaojun / Liu, Liang et al. | 2021
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A new simple ESIPT-based fluorescent probe for rapid detection of cysteine with high sensitivity and specificity and bioimaging in living cellsCao, Xiaoyan / Lu, Hongzhao / Jin, Lingxia / Zhang, Qiang / Ren, Chuanqing et al. | 2021
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The synthesis and characterization of s-triazine bridged calixarene based a Schiff base: Investigation of its [MSalen/Salophen] (M= Cr3+, Fe3+ or Co3+) capped complexesAouled, Idriss Mahamoud / Uysal, Saban et al. | 2021
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Synthesis, pharmacokinetic and molecular docking studies of new benzohydrazide derivatives possessing anti-tubercular activity against Mycobacterium tuberculosis H37RvLalavani, Nilam H. / Gandhi, Himani R. / Bhensdadia, Krishna A. / Patel, Rajesh K. / Baluja, Shipra H. et al. | 2021
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Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)–Molecular dynamics, molecular mechanics, and density functional theory investigationsAdelusi, Temitope Isaac / Oyedele, Abdul-Quddus Kehinde / Monday, Ojo Emmanuel / Boyenle, Ibrahim Damilare / Idris, Mukhtar Oluwaseun / Ogunlana, Abdeen Tunde / Ayoola, Ashiru Mojeed / Fatoki, John Olabode / Kolawole, Oladipo Elijah / David, Kehinde Busuyi et al. | 2021
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Synthesis, kinetics and thermodynamic properties of N,N'-di(antipyrine-4-yl) oxalamide for the detection of Cu2+ ions as a selective colorimetric chemosensorUzan, Serhat / Başaran, Eyüp et al. | 2021
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Synthesis, crystal structure, thermal properties of copper(II) acrylate complex with 4′-phenyl-2,2′:6′,2′′-terpyridine and its use in nanomaterials scienceUflyand, Igor E. / Tkachev, Valerii V. / Zhinzhilo, Vladimir A. / Drogan, Ekaterina G. / Burlakova, Victoria E. / Sokolov, Mikhail E. / Panyushkin, Victor T. / Baimuratova, Rosa K. / Dzhardimalieva, Gulzhian I. et al. | 2021
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Crystal structure, spectroscopic characterization, molecular docking, in vitro antibacterial potential and theoretical investigations on creatininium hydrogen maleate (CRHM) single crystalS.S., Monisha / Sunitha bai, S. Jeslin / Sindhusha, S. / Robert, H. Marshan et al. | 2021
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Re-purposing of hepatitis C virus FDA approved direct acting antivirals as potential SARS-CoV-2 protease inhibitorsUddin, Reaz / Jalal, Khurshid / Khan, Kanwal / ul-Haq, Zaheer et al. | 2021
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Synthesis and characterization of metal complex amino acid using spectroscopic methods and theoretical calculationChetry, Neelam / Gomti Devi, Th. / Karlo, T. et al. | 2021
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Simpler fluorescent probe for homocysteine selective detectionNehra, Nidhi / Ghule, Vikas D. / Tittal, Ram Kumar et al. | 2021
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Synthesis, growth, spectroscopic, thermal, dielectric and DFT studies of piperazinium bis (trichloro acetate)Karthiga Devi, P. / Viswanathan, P. / Ali Fathima Sabirneeza, A. et al. | 2021
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Synthesis, structural, spectroscopic and thermal studies of a decavanadate complex (C4NH10)4[H2V10O28].2H2OLouati, Myriam / Neacsa, Daniela Maria / Ksiksi, Regaya / Autret-Lambert, Cécile / Zid, Mohamed Faouzi et al. | 2021
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A simple and efficient fluorescent probe for rapidly detecting H2S in GBC - SD cells based on 1,8 - naphthalimide - ebselenZhang, Chenglu / Zhang, Lu / Li, Yuqing / Ren, Zhixuan / Li, Lu / Zhang, Yanpeng / Li, Yizheng / Liu, Cui et al. | 2021
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Synthesis and substituent effect study on 13C NMR chemical shifts of 4-(substitue-phenyl)-6-methyl-3-phenyl-4H-1,2,4-oxadiazin-5(6H)-oneKara, Yesim S. / Yıldız, Berna et al. | 2021
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Conventional and microwave irradiated synthesis, biological activity evaluation of highly substituted indole-triazole hybridsCebeci, Yıldız Uygun / Ceylan, Şule / Karaoğlu, Şengül Alpay et al. | 2021
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Synthesis, characterization, and photosensitizer applications for dye-based on ZrO2- acriflavine nanocomposite thin film [ZrO2+ACF]CAbd El-Aal, Mohamed / Mogharbel, Roaa T. / Ibrahim, Ali / Almutlaq, N. / Sh Zoromba, Mohamed / Al-Hossainy, Ahmed F. / Ibrahim, Samia M. et al. | 2021
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A multifunctional selective fluorescent chemosensor for detection of Ga3+, In3+ and Fe3+ in different solventsZhang, Yanxia / Li, Bing et al. | 2021
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Metal-Free Synthesis and Photophysical Behaviour of Thermally Stable Blue Fluorescent Styryl-cored Biaryls by Ring Transformation of alpha-pyranoneKole, Priyanka B / Singh, Fateh V et al. | 2021
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Variation in structure and properties of poly(vinyl alcohol) (PVA) film in the presence of silver nanoparticles grown under heat treatmentSau, Sanjib / Kundu, Sarathi et al. | 2021
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Conformation and equilibrium molecular structure of isoniazid in the gas phaseKolesnikova, Inna N. / Rykov, Anatolii N. / Shishkov, Igor F. et al. | 2021
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Preparation and luminescence characterization of Eu(III)-activated Forsterite for optoelectronic applicationsTanwar, Vijeta / Singh, Sitender / Gupta, Isha / Kumar, Pawan / Kumar, Harish / Mari, Bernabe / Singh, Devender et al. | 2021
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Simple thiosemicarbazone "switch" sensing of Hg2+ and biothiols in pure aqueous solutions and application to imaging in lysosomesLi, Xiao-Hong / Han, Xue-Feng / Wu, Wei-Na / Wang, Yuan / Fan, Yun-Chang / Zhao, Xiao-Lei / Xu, Zhi-Hong et al. | 2021
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Graphene-oxide/schiff base N2O4 ligand-palladium: A new catalyst for the synthesis of furan derivativesNoori, Samira / Ghorbani-Vaghei, Ramin / Azadbakht, Reza / Karamshahi, Zahra / Koolivand, Mostafa et al. | 2021
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Polymorphism and β-cyclodextrin complexation of methyldrostanoloneTurza, Alexandru / Borodi, Gheorghe / Muresan-Pop, Marieta / Ulici, Adelina et al. | 2021
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Indium phthalocyanines: Comparative photophysicochemical properties and photodynamic antimicrobial activities against Staphylococcus aureus and Escherichia coliSen, Pinar / Mack, John / Nyokong, Tebello et al. | 2021
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Antitumor activity, X-Ray crystallography, in silico study of some-sulfamido-phosphonates. Identification of pharmacophore sitesBerredjem, Malika / Bouzina, Abdeslem / Bahadi, Rania / Bouacida, Sofiane / Rastija, Vesna / Djouad, Seif-Eddine / Sothea, Tan Ouk / Almalki, Faisal A. / Hadda, Taibi Ben / Aissaoui, Mohamed et al. | 2021
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Design and supramolecular architecture of stepped molecular aggregation in monochloroacetate salt of 2-aminopyridine: Its bacterial and cancer inhibitory propertiesSiva, Vadivel / Murugan, Anbazhagan / Shameem, Abdul Samad / Priya, Mohan Uma / Thangarasu, Subramanian / Athimoolam, Shunmuganarayanan / Bahadur, Sultan Asath et al. | 2021
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Chemical structure and ACE inhibitory activity of polysaccharide from Artemisia vulgaris L.Song, Qiaoying / Gu, Lingbiao / Wu, Hankui / Ma, Shengming / Kong, Lingqi / Zhang, Kunpeng et al. | 2021
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One-pot synthesis, Spectral, X-ray crystal structure, Hirshfeld surface and computational study on potential inhibitory action of novel 1-benzyl-2-(4-methoxynaphthalen-1-yl)-4,5-diphenyl-1H-imidazole derivatives against COVID-19 main protease (Mpro: 6WCF/6Y84)Anthony, L. Athishu / Nethaji, P. / Sundararajan, G. / Rajaraman, D. et al. | 2021
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Hydrated electrons and cluster scienceAhmadi, Sara et al. | 2021
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Novel carbazole based hydrazone type light-up chemosensorsUzgören-Baran, Ayse / Keskin, Elif / Çakmaz, Deniz / Aydıner, Burcu / Ozer, Demet / Seferoğlu, Nurgül / Seferoğlu, Zeynel et al. | 2021
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Synthesis, characterization, X-ray crystallographic study and in silico ADME predictions of functionalized nitropyrrole derivativesSaigal / Khizr, Mohammad / Sahoo, Subash C. / Khan, Md. Musawwer et al. | 2021
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Synthesis, structural, spectral, antidiabetic, DNA interactions and molecular docking investigations of a piperidine derivativeAsha, Radhakrishnan Nandini / Sankarganesh, Murugesan / Bhuvanesh, Nattamai / Nayagam, Balasingh Ravindran Durai et al. | 2021
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Evidence of electronic interactions between end platinum atoms of hexanuclear units in heterometallic one-dimensional chainsUemura, Kazuhiro / Sugiyama, Yuko et al. | 2021
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Newly synthesized imidazolotriazole, imidazolotriazine, and imidazole-pyrazole hybrid derivatives as promising antimicrobial agentsEl-Shahat, Mahmoud / El-Sofany, Walaa I. / Soliman, Abdel-Ghany A. / Hasanin, Mohamed et al. | 2021
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Synthesis of a versatile Schiff base 4-((2-hydroxy-3,5-diiodobenzylidene)amino) benzenesulfonamide from 3,5-diiodosalicylaldehyde and sulfanilamide, structure, electronic properties, biological activity prediction and experimental antimicrobial propertiesElangovan, N. / Gangadharappa, Bhavya / Thomas, Renjith / Irfan, Ahmad et al. | 2021
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Novel derivatives of aroylacrylic acid phenylamides as inducers of apoptosis through the ROS-mediated pathway in several cancer cell linesVujatović, Tamara B. / Vitorović-Todorović, Maja D. / Cvijetić, Ilija / Vasović, Tamara / Nikolić, Milan R. / Novaković, Irena / Bjelogrlić, Snežana et al. | 2021
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Electrochemical, spectroelectrochemical, electrocatalytic oxygen reducing, and heavy metal ion sensing properties of novel tetrakis-[4-((2, 8-bis (trifluoromethyl) quinolin-4-yl) oxyl)] substituted metallophthalocyaninesDaban, Neşe / Orman, Efe Baturhan / Meyancı, Lale / Altındal, Ahmet / Özer, Metin / Özkaya, Ali Rıza et al. | 2021
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Adsorption studies of carbon dioxide and anionic dye on green adsorbentAl-Wasidi, Asma S. / AlZahrani, Ibtisam I.S. / Thawibaraka, Hotoun I. / Naglah, Ahmed M. / El-Desouky, Mohamed G. / El-Bindary, Mohamed A. et al. | 2021
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Crystal structure and Hirshfeld surface analysis of dl-methionine polymorphs (α and β)Suresh, M. / Srinivasan, K. et al. | 2021
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Synthesis of fused 1,2,3-triazoles of Clioquinol via sequential CuAAC and CH arylation; in vitro anticancer activity, in silico DNA topoisomerase II inhibitory activity and ADMETSrinivas Reddy, M. / Swamy Thirukovela, Narasimha / Narsimha, Sirassu / Ravinder, M. / Kumar Nukala, Satheesh et al. | 2021
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A new and unexpected coordination mode of a bis-phosphine monoxide (BPMO) ligand in a palladacycle complexSamiee, Sepideh / Gable, Robert W. et al. | 2021
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Synthesis and characterization of a hybrid material (C10H28N4) [CoCl4]2 using Hirshfeld surface, vibrational and optical spectroscopy, DFT calculations and biological activitiesGannouni, Afef / Dridi, Imen / Elleuch, Slim / Jouffret, L. / Kefi, Riadh et al. | 2021
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Estimation of electron absorption spectra and lifetime of the two lowest singlet excited states of pyrimidine nucleobases and their derivativesTichý, Ondřej / Burda, Jaroslav V. et al. | 2021
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Study of hydration of kaolinite and montmorillonite mixture by IR spectroscopyNazdracheva, Tatiana / Morozov, Andrey / Yavna, Victor / Kochur, Andrei et al. | 2021
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Cobalt complexes with biguanide derivatives – Synthesis, structure and antiviral activityKirin, V.P. / Demkin, A.G. / Sukhikh, T.S. / Ilyicheva, T.N. / Maksakov, V.A. et al. | 2021
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Crystalline phase formation of Na2W2O7 using microwave-assisted solution combustion synthesis for photocatalytic degradation of organic pollutants from aqueous solutionsNaeimi, Alireza / Sharifi, Abdolkarim / Abhari, Abbas Rajabi / Farrokhzadeh, Samaneh / Jannat, Behrooz et al. | 2021
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Theoretical, single crystal and molecular docking analysis of tetrazolo[1,5-a]pyrimidine-6-carboxylate derivativesHaleel, Azees Khan / Rafi, Ummer Muhammed / Jayathuna, Mugamathu Ali / Rahiman, Aziz Kalilur et al. | 2021
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Efficient multicomponent processes for synthesis of novel poly-nuclear hetero aryl substituted terpyridine scaffolds: Single crystal XRD studyPatel, Paresh N. / Desai, Dipen H. / Patel, Nilam C. / Deshmukh, Amar G. et al. | 2021
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Synthesis, spectroscopic and thermodynamic study of charge transfer complexes of natural drug rutin as donor with Π-acceptors; 2,3-dichloro-5,6-dicyano-1,4-benzoquinone and tetracyanoethyleneHamamdia, Fatima Zahra / Messiad, Hanene / Belguidoum, Karima / Lemouari, Nadjet / Amira-Guebailia, Habiba et al. | 2021
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Design and synthesis of heterocyclic azole based bioactive compounds: Molecular structures, quantum simulation, and mechanistic studies through docking as multi-target inhibitors of SARS-CoV-2 and cytotoxicityHaribabu, Jebiti / Garisetti, Vasavi / Malekshah, Rahime Eshaghi / Srividya, Swaminathan / Gayathri, Dasararaju / Bhuvanesh, Nattamai / Mangalaraja, Ramalinga Viswanathan / Echeverria, Cesar / Karvembu, Ramasamy et al. | 2021
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Novel benzotriazole-based probes for the selective detection of Cu(II)Pei, Mengyu / Kong, Hanhan / Tian, Anqi / Liu, Xiang / Zheng, Kaibo / Ren, Zhilin / Wang, Long et al. | 2021
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Synthesis, Characterization, DFT study and Molecular Docking of (Z)-4-((2-hydroxy-3-methoxy benzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one and its Metal ComplexesSaranya, B. / Gowri, M. et al. | 2021
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Synthesis, characterization, molecular structure determination by single crystal X-ray diffraction, and Hirshfeld surface analysis of 7-fluoro-6-morpholino-3-phenylquinolin-1-ium chloride salt and computational studies of its cationThandra, Dhananjay Rao / Allikayala, Ramachandraiah et al. | 2021
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Green synthesis and mechanism analysis of a new metal-organic framework constructed from Al (III) and 3,4-dihydroxycinnamic acid extracted from Satureja hortensis and its anticancerous activitiesZeraati, Malihe / Alizadeh, Vali / Chupradit, Supat / Chauhan, Narendra Pal Singh / Sargazi, Ghasem et al. | 2021
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Design of new bis-triazolyl structure for identification of inhibitory activity on COVID-19 main protease by molecular docking approachSingh, Gurjaspreet / Pawan / Mohit / Diksha / Suman / Priyanka / Sushma / Saini, Anamika / Kaur, Amarjit et al. | 2021
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Synthesis of new nicotinic acid hydrazide metal complexes: Potential anti-cancer drug, supramolecular architecture, antibacterial studies and catalytic properties.Ashma, A. / Yahya, Showket / Subramani, A. / Tamilarasan, R. / Sasikumar, G. / Askar Ali, S.J. / Al-Lohedan, Hamad A. / Karnan, Muthusamy et al. | 2021
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Introducing a flexible and Y-shaped tricarboxylic acid linker into functional complex: Photocatalytic dye degradationJin, Juncheng / Liu, Zhen / Wang, Wanping / Cai, Xun / Zhang, Yinglao / Muddassir, Mohd. / Sakiyama, Hiroshi / Wang, Jun / Xie, Chenggen et al. | 2021
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Assembly of two pharmaceutical salts of sparfloxacin with pyrocatechuic acid: Enhancing in vitro antibacterial activity of sparfloxacin by improving the solubility and permeabilityZhang, Yanfei / Zhang, Yunan / Liu, Lixin / Feng, Yanru / Wu, Lili / Zhang, Lei / Zhang, Yunjie / Zou, Dongyu / Liu, Yingli et al. | 2021
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Ultrasonic-assisted synthesis of highly effective visible light Fe3O4/ZnO/PANI nanocomposite: Thoroughly kinetics and thermodynamic investigations on the Congo red dye decompositionZare, Neda / Kojoori, Reza Kia / Abdolmohammadi, Shahrzad / Sadegh‐Samiei, Sepehr et al. | 2021
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Wang-OSO3H catalyzed green synthesis of bioactive isoindolo[2,1-a]quinazoline-5,11‑dione derivatives: An unexpected observationDhananjaya, G / Venkateshwarlu, Rapolu / Dinne, Naresh Kumar Reddy / Kumar, Avula Mahesh / Mekala, Ramamohan / Anna, Venkateswara Rao / Kapavarapu, Ravikumar / Pal, Manojit et al. | 2021
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One-pot synthesis of some new 7‑hydroxy-5-(4-substitutedphenyl)-9-methyl-1,5-dihydro-2H-dipyrimido[1,2-a:4′,5′-d]pyrimidine-2,4(3H)‑dione derivatives and it's optoelectronic, DFT, photocatalytic studies and latent fingerprint applicationsUpendranath, K. / Venkatesh, Talavara / Shashank, M. / Nagaraju, G. / Pasha, K. M. Mussuvir et al. | 2021
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Baso-chromic spiropyrrolizine: The spiromerocyanine isomerization and alkaline detectionSu, Peng / Wen, Liu / Yan, Jiaying / Zheng, Kaibo / Zhang, Nuonuo et al. | 2021
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Design, synthesis and biochemical evaluation of novel 2-amino-3-(7-methoxybenzo[d][1,3]dioxol-5-yl)propanoic acid using Horseradish peroxidase (HRP) activity, cellular ROS inhibition and molecular docking studyEtsè, Koffi Sénam / Demonceau, Albert / Zaragoza, Guillermo / Serteyn, Didier / Mouithys-Mickalad, Ange et al. | 2021
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Supramolecular structure of the product of unusual [2C=C + 2C=N] cycloaddition of dicyclohexylcarbodiimide to N-(3-methylbut-2-en-1-ylidene)triflamideSterkhova, Irina V. / Chipanina, Nina N. / Oznobikhina, Larisa P. / Tolstikova, Ljudmila L. / Shainyan, Bagrat A. et al. | 2021
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Diverse coordination of isoniazid hydrazone Schiff base ligand towards iron(III): Synthesis, characterization, SC-XRD, HSA, QTAIM, MEP, NCI, NBO and DFT studyKargar, Hadi / Fallah-Mehrjardi, Mehdi / Behjatmanesh-Ardakani, Reza / Munawar, Khurram Shahzad / Ashfaq, Muhammad / Tahir, Muhammad Nawaz et al. | 2021
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Design, synthesis, docking study and biological evaluation of novel thieno[2,3-d]-pyrimidine tethered 1,2,3-triazole scaffoldsSuryanarayana, Kotyada / Maddila, Suresh / Nagaraju, Kerru / Jonnalagadda, Sreekantha B. et al. | 2021
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Thiazolidinone: A structural motif of great synthetic and biological importanceAqlan, Faisal M. / Al-Bogami, Abdullah S. / Alqahtani, Norah F. / Wani, Mohmmad Younus / Khan, Salman A. et al. | 2021
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A comparative molecular structure – NLO activity study of ortho-bridged dibenzaldehydes: Synthesis, crystal structure, SHG, and DFT studiesJothi, A. Irudaya / Paul, M. Wilson Bosco / Alexander, V. et al. | 2021
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Sonochemical synthesis of indolo[1,2-a]quinoxaline derivatives in the presence of Amberlyst-15: Their evaluation as potential cytotoxic agentsChemboli, Raviteja / Prasad, K.R.S. / Rao, Paritala Raghava / Kumar, A.V. D. Nagendra / Tej, Mandava Bhuvan / Kapavarapu, Ravikumar / Rao, M. V. Basaveswara / Pal, Manojit et al. | 2021
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Molecular modeling and antioxidant activity of newly synthesized 3‑hydroxy-2-substituted-thiophene derivativesAbu-Melha, Sraa et al. | 2021
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Investigation of UV light enhanced gas adsorption properties of CeO2 Nanoparticles by Scanning Kelvin Probe systemShanmugam, Punitha / Pushparaj, Kishore / Sundaramurthy, Anandhakumar / Sivalingam, Yuvaraj et al. | 2021
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The analyses of solvent effects on infrared spectra and thermodynamic parameters, Hirshfeld surface, reduced density gradient and molecular docking of ketoprofen as a member of nonsteroidal anti-inflammatory drugsIsik, Ilknur Baldan / Tekin, Nalan / Sagdinc, Seda Gunesdogdu et al. | 2021
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Development of cerium-trimesic acid complexed 2D frameworks for effective nitrate and phosphate remediationKumar, Ilango Aswin / Mezni, Amine / Periyasamy, Soodamani / Viswanathan, Natrayasamy et al. | 2021
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The mid-infrared spectrum of a new double carbonate, BaFe[CO3]2Böttcher, Michael Ernst / Gehlken, Peer-Lennart / Liang, Wen et al. | 2021
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Synthesis, molecular docking, molecular dynamic, quantum calculation, and antibacterial activity of new Schiff base-metal complexesHashem, Heba E. / Nath, Ashutosh / Kumer, Ajoy et al. | 2021
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Resonance Raman and SERRS of fucoxanthin: Prospects for carotenoid quantification in live diatom cellsNekvapil, Fran / Brezestean, Ioana / Lazar, Geza / Firta, Calin / Pinzaru, Simona Cinta et al. | 2021
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Tautomerism and IR spectroscopy of arylsulfonamides by quantum mechanical calculationsMisaela, Francisco-Márquez / Alexander, Pérez de la Luz / Catalina, Soriano-Correa / Carolina, Barrientos-Salcedo / Ignacio, Sainz-Díaz C. et al. | 2021
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Determination of affecting parameters on removal of methylene blue dyestuff from aqueous solutions using natural clay: Isotherm, kinetic, and thermodynamic studiesBingül, Züleyha et al. | 2021
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Isomeric tetrazole-based organic dyes for dye-sensitized solar cells: Structure-property relationshipsda Silva, Luciano / Sánchez, Mario / Ibarra-Rodriguez, Marisol / Freeman, Harold S. et al. | 2021
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Synthesis of Schiff base (E)-4-((2-hydroxy-3,5-diiodobenzylidene)amino)-N-thiazole-2-yl)benzenesulfonamide with antimicrobial potential, structural features, experimental biological screening and quantum mechanical studiesElangovan, N. / Thomas, Renjith / Sowrirajan, S. et al. | 2021
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Crystal structure and photo-physical properties in a perovskite–type semiconducting hybrid phase: {(m-C6H7N2O2)2CdCl4}nAbdallah, Dorsaf Ben / Kamoun, Slaheddine / Massera, Chiara et al. | 2021
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Optical biosensing of lysozymeBanciu, Roberta Maria / Numan, Nimet / Vasilescu, Alina et al. | 2021
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Synthesis, biological evaluation, density functional calculation and molecular docking analysis of novel spiropyrrolizidines derivatives as potential anti-microbial and anti-coagulant agentsAskri, Sonia / Edziri, Hayet / Hamouda, Manel Ben / Mchiri, Chadlia / Gharbi, Rafik / El-Gawad, Hala H. Abd / El-Tahawy, Mohsen M.T. et al. | 2021
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4,4-Nitrophenoxyaniline derived Azo ester: Structural elucidation, DFT simulation, and DNA interactional studies via wet and in silico methodsQamar, Samina / Perveen, Fouzia / Akhter, Zareen / Yousuf, Sammer / Sultan, Muhammd / Erten Ela, Sule / Ullah, Naimat / Fatima, Kalsoom / kanwal, Sehrish et al. | 2021
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Hard template synthesis and photocatalytic activity of graphitic carbon nitride in the hydrogen evolution reaction using organic acids as electron donorsShcherban, N.D. / Shvalagin, V.V. / Korzhak, G.V. / Yaremov, P.S. / Skoryk, M.A. / Sergiienko, S.A. / Ya. Kuchmiy, S. et al. | 2021
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(E)-N-(3-chlorophenyl)-1-(5-nitro-2-(piperidin-1-yl)phenyl)methanimine: X-Ray, DFT, ADMET, Boiled-Egg Model, Druggability, Bioavailabilty, and Human Cyclophilin D (CypD) Inhibitory ActivityŞahin, Songül / Dege, Necmi et al. | 2021
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Bifunctionalization of α,β-unsaturated diaryl ketones into α-aryl-β,β-ditosyloxy ketones: Single crystal XRD, DFT, FMOs, molecular electrostatic potential, hirshfeld surface analysis, and 3D-energy frameworksKumar, Ravinder / Kamal, Raj / Kumar, Vipan / Parkash, Jai et al. | 2021
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Synthesis, crystal structure, DFT and anticancer study of dihydroartermisinin-paracetamol hybridsLiu, Tao / Ai, Yi / Ding, Jie / Li, Bingqing / Zeng, Changguang / Zhang, Xiaohan / Zhong, Hang / Zhou, Zhixu et al. | 2021
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Design and synthesis of 4-aminoantipyrine appended triazole linked bis-organosilane and their silica nanoparticles for selective recognition of Fe3+ ionsSingh, Gurjaspreet / Suman / Diksha / Pawan / Mohit / Sushma / Priyanka / Saini, Anamika / Satija, Pinky et al. | 2021
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CuOx/OMS-2 catalyzed synthesis of 4,5-dicyano-1H-imidazoles moiety: Directly access to d-A system for AIE-active mechanofluorochromic materialsZheng, Kaibo / Chen, Hui / Xiao, Yufeng / Yan, Jiaying / Zhang, Nuonuo / Liu, Xiang et al. | 2021
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A fluorescent chemosensor for Hg(II) optical recognition: Mesoporous MCM-41 functionalized with a covalently linked Eu(III) complexZhao, Xiaojuan / Ye, Yun / Yue, Xiu / Ye, Xiuya / Wang, Qiaoyun / Li, Ruimin et al. | 2021
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Synthesis, characterization, DFT, docking studies and molecular dynamics of some 3-phenyl-5-furan isoxazole derivatives as anti-inflammatory and anti-ulcer agentsM, Pallavi H / Al-Ostoot, Fares Hezam / Vivek, Hamse Kameshwar / Khanum, Shaukath Ara et al. | 2021
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Neutral and charged forms of inubosin B in aqueous solutions at different pH and on the surface of Ag nanoparticlesHamissa, Mohamed Farouk / Niederhafner, Petr / Šestáková, Hana / Šafařík, Martin / Hadravová, Romana / Šebestík, Jaroslav et al. | 2021
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Synthesis, crystal structure, spectral characterization and Hirshfeld surface analysis of (E)-N′-(3-ethoxy-4-hydroxybenzylidene)-4-fluorobenzohydrazide single-crystal – a novel NLO active materialShobana, D. / Sudha, S. / Ramarajan, D. / Dimić, D. et al. | 2021
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Unveiling geometrical isomers and tautomers of isatin-hydrazones by NMR spectroscopyWegermann, Camila A. / Monzani, Enrico / Casella, Luigi / Ribeiro, Marcos A. / Bruzeguini, Carlos E.T. / Vilcachagua, Janaína D. / Costa, Luiz Antônio S. / Ferreira, Ana M. Da Costa et al. | 2021
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Analysis of structural conformation and supramolecular self-assembly of novel oxalate-bridged tetranuclear Cu(II) complex by combined crystallographic and computational studiesZeghouan, Ouahida / Mahesha / Sellami, Seifeddine / Kashi, Imad / Bouchameni, Chahra / Lokanath, N.K. et al. | 2021
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Facile and greener method synthesis of pyrano[2,3-d]pyrimidine-2,4,7-triones: Electrochemical and biological activity evaluation studiesKhatavi, Santosh Y. / Kamanna, Kantharaju et al. | 2021
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Benzothiazole-[1,2,3]triazolo[5,1-a]isoindoles: Synthesis, anticancer activity, bioavailability and in silico studies against Gama-Tubulin proteinKumar N, Manoj / Nukala, Satheesh Kumar / Swamy T, Narasimha / M, Ravinder / Krishna, Thupurani Murali / Narsimha, Sirassu et al. | 2021
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Structure-property relationship in thioxotriaza-spiro derivative: Crystal structure and molecular docking analysis against SARS-CoV-2 main proteaseMahesha / Udaya Kumar, A.H. / Vindya, K.G. / Pampa, K.J. / Rangappa, K.S. / Lokanath, N.K. et al. | 2021
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Synthesis, characterization and application of Fe3O4@Silicapropyl@vaniline-covalented isoniazid-copper(I) nanocomposite as a new, mild, effective and magnetically recoverable Lewis acid catalyst for the synthesis of acridines and novel azoacridinesTorabi, Mogharab / Fekri, Leila Zare / Nikpassand, Mohammad et al. | 2021
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Fe3O4@SiO2@Methotrexate as efficient and nanomagnetic catalyst for the synthesis of 9-(aryl)thiazolo [4,5-d] [1,2,4]triazolo [1,5-a]pyrimidin-2(3H)-ones via a cooperative anomeric based oxidation: A joint experimental and computational mechanistic studyDashteh, Mohammad / Baghery, Saeed / Khazaei, Ardeshir / Zolfigol, Mohammad Ali / Ahmadvand, Zeinab / Bayat, Mehdi et al. | 2021
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Selective CO2 capture and multiresponsive luminescent sensor in aqueous solutions of cadmium metal-organic framework based on trigonal rigid ligandYang, Jie / Zhang, Chen / Chen, Jia-Yin / Wei, Jia / Wang, Xiao-Qing et al. | 2021
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Anionic ligands tune the structural and catalytic properties of quinoxaline-based copper(II) complexes as mimetics of copper-containing oxidase proteinFathy, Ahmed M. / Hessien, Mahmoud M. / Ibrahim, Mohamed M. / Ramadan, Abd El-Motaleb M. et al. | 2021
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Design, molecular docking and antimicrobial assessment of newly synthesized p-cuminal-sulfonamide Schiff base derivativesKumar Bishoyi, Ajit / Mahapatra, Monalisa / Sahoo, Chita Ranjan / Kumar Paidesetty, Sudhir / Nath Padhy, Rabindra et al. | 2021
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New binuclear mercury complex: Synthesis, supramolecular structure, physico-chemical characterizations and antibacterial activityLtaief, Hasna / Mahroug, Adel / Azaza, Youssra Ben / Nasri, Monçef / Graça, Manuel Pedro Fernandes / Belhouchet, Mohamed et al. | 2021
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3,4,5-trinitro-1H-pyrazol-1-amine: A promising explosive alternative with high performance and low sensitivityDong, Wenshuai / Cao, Wenli / Hu, Yong / Zhang, Chao / Bi, Yufan / Lu, Zujia / Wang, Tingwei / Zhang, Jianguo et al. | 2021
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Pharmaceutical salt hydrates of vortioxetine with maleic acid and fumaric acid: Crystal structures, characterisation and solubility performanceGao, Lei / Zhang, Xian-Rui et al. | 2021
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Quantum chemical exploration on charge transfer interactions, vibrational, topological and molecular docking evaluation of the antimicrobial molecule 2,4, 6-triallyloxy-1,3,5-triazineJeyanthi, G. / Sambandam, C. Gnana / Shiny, C.L. / Tarika, J.D. Deephlin / Beaula, T. Joselin et al. | 2021
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Identification of 1,3-thiazinan-4-one urea-based derivatives as potent FLT3/VEGFR2 dual inhibitors for the treatment of acute myeloid leukemiaXu, Xingwei / Hu, Liping / Fan, Mengmeng / Hu, Ziwei / Li, Qiming / He, Huan / Qi, Baohui et al. | 2021
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High-energy materials based on 1H-tetrazole and furoxan: Molecular design and screeningZhang, Renfa / Xu, Xiaosong / Ma, Peng / Ma, Congming / Zhai, Diandian / Pan, Yong / Jiang, Juncheng et al. | 2021
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Functionalized nanoclinoptilote as a novel and green catalyst for the synthesis of Mannich bases derived from 4-hydroxy coumarinNiyazi, Shabnam / Pouramiri, Behjat / Rabiei, Khadijeh et al. | 2021
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Microwave-assisted synthesis of lanthanide coordination polymers with 2-bromobenzoic acid as ligand from hexa-lanthanide molecular precursorsYao, Haiyun / Calvez, Guillaume / Daiguebonne, Carole / Suffren, Yan / Bernot, Kevin / Guillou, Olivier et al. | 2021
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Iridium complexes having phosphrous ligands of large steric hindrance: Photophysical comparison between solution state, solid state and electrospun fibersYao, Qin / Wu, Yuhong / Jia, Shuoguo / Zhang, Yiyi et al. | 2021
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GC–MS characterization and evaluation of antimicrobial, anticancer and wound healing efficiency of combined ethanolic extract of Tridax procumbens and Acalypha indicaSophia, A. / Faiyazuddin, Md. / Alam, Prawez / Hussain, Md. Talib / Shakeel, Faiyaz et al. | 2021
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Drastic influence of amide functionality and alkyl chain length dependent physical, thermal and structural properties of new pyridinium-amide cation based biodegradable room temperature ionic liquidsVerma, Supriy / Verma, Abhineet / Mondal, Madalasa / Prasad, Namburi Eswara / Srivastava, Jyoti / Singh, Saurabh / Verma, Jay Prakash / Saha, Satyen et al. | 2021
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A new iridoid skeleton from Galium asparagifolium and biological activity studiesToktas, Umit / Sarikahya, Nazli Boke / Parlak, Cemal / Ozturk, Ismail / Kayalar, Husniye et al. | 2021
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Synthesis of novel pyrrolidinyl chalcone derivatives: Spectral properties, energy band-gap tailoring, and amplified spontaneous emissionElzupir, A.O. / Ibnaouf, K.H. et al. | 2021
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Design, synthesis and biological evaluation of ethyl-4,4,4-trifluoro-3-hydrazonobutanoate derivativesSaadaoui, Ikram / Jismy, Badr / Salah, Bochra Ben / Miled, Nabil / Alghamdi, Othman A. / Bougatef, Hajer / Bougatef, Ali / Kossentini, Mohamed / Abarbri, Mohamed et al. | 2021
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Synthesis, crystal and molecular structure, DFT, vibrational spectroscopic, hirshfeld surfaces analyses and molecular docking of a novel compound N-(3-((1-(5-bromo-2-(pyrrolidin-1-yl)phenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)methyl)phenyl)-2-thiomorpholinoacetamideChen, Yu-Mei / Wang, Zhong-Yuan / Chen, Dong-Mei / Ye, Wen-Jun / Liao, Tian-Hui / Zhao, Chun-Shen / Liao, Wei-Ke / Zhou, Zhi-Xu et al. | 2021
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Synthesis, characterization, antimicrobial and interaction studies of pteridines with human serum albumin: A combined multi-spectroscopic and computational studyRaghu, M.S. / Kumar, K. Yogesh / Veena, K. / Kumar, C.B. Pradeep / Almalki, Amani Salem / Mani, G. / Alasmary, Fatmah Ali / Prashanth, M.K. et al. | 2021
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Structural, spectroscopic, and in silico studies of 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol: A potential antidepressant agentPoojith, Nuthalapati / Kigga, Madhuprasad / John Rose, J. / Potla, Krishna Murthy / Vankayalapati, Suneetha / Chinnam, Sampath / Adimoole, Suchetan Parameshwar / Pillai, Renjith Raveendran et al. | 2021
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Two Cd-MOFs with different types of channels based on phenylimidazole dicarboxylic acids: Synthesis, crystal structure and solid fluorescence propertiesJiang, Yuxuan / Dong, Jianping / Sun, Fugang / Li, Ruixue / Wu, Huilu et al. | 2021
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The interaction of xylitol with carboxypeptidase A: The influence of xylitol on enzyme structure and activityMohammadi, Mozhgan / Shareghi, Behzad / Farhadian, Sadegh / Momeni, Lida / Saboury, Ali Akbar et al. | 2021
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Experimental and computational investigation on spectroscopic characterization, molecular modeling and biological evaluation of 3, 3′, 4′7-tetrahydroxyflavone, 3, 3′, 4′7-tetrahydroxyflavone-6-methoxymethane against in A549 cellsManaka, A. / Uvarani, R. / Ragavan, I. / Anbarasan, P.M. et al. | 2021
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Charge assisted hydrogen bonded assemblies and unconventional O···O dichalcogen bonding interactions in pyrazole-based isostructural Ni(II) and Mn(II) compounds involving anthraquinone disulfonate: Antiproliferative evaluation and theoretical studiesSarma, Pinku / Sharma, Pranay / Gomila, Rosa M. / Frontera, Antonio / Barcelo-Oliver, Miquel / Verma, Akalesh K. / Baruwa, Bandita / Bhattacharyya, Manjit K. et al. | 2021
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Novel carbon dots as effective corrosion inhibitor for N80 steel in 1 M HCl and CO2-saturated 3.5 wt% NaCl solutionsWu, Xiaodan / Li, Jianbo / Deng, Chaoyi / Yang, Lan / Lv, Jie / Fu, Luoping et al. | 2021
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Substituent effect induced the distinctive ESIPT reaction and photophysical property of N-salycilidene-5-chloroaminopyridineYu, Xiangrui / Cao, Yunjian / Li, Yuanzuo / Cui, Jingang / Sun, Chaofan et al. | 2021
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Structural changes of 1-(phenylethynyl)naphthalene upon electronic excitation from Franck–Condon fits of several fluorescence emission spectraHebestreit, Marie-Luise / Henrichs, Christian / Schäfer, Johannes / Martini, Jascha / Auerswald, Johannes / Fischer, Ingo / Krueger, Anke / Schmitt, Michael et al. | 2021
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Enhanced the photocatalytic degradation of titanium dioxide nanoparticles synthesized by different plant extracts for wastewater treatmentMousa, Sahar A. / Shalan, Ahmed Esmail / Hassan, H.H. / Ebnawaled, A.A. / Khairy, S.A. et al. | 2021
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Recent advances in the synthesis of zirconium complexes and their catalytic applicationsAsim, Wasifa / Waheeb, Azal Shakir / Awad, Masar Ali / Kadhum, Afaf Murtada / Ali, Asjad / Mallah, Shaimaa Hassan / Iqbal, Muhammad Adnan / Kadhim, Mustafa M. et al. | 2021
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PrefaceChiș, Vasile / Focșan, Monica / Lamy de la Chapelle, Marc / Fausto, Rui et al. | 2021
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Silver film over nanospheres (AgFoN) as tri-modal plasmonic sensing platform for Surface Plasmon Resonance Spectroscopy, Surface-Enhanced Raman Scattering, and Surface-Enhanced FluorescenceFarcău, Cosmin et al. | 2021
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Synthesis and characterization of a mononuclear nickel(II) complex with N,O-donor ligand: Its DNA/HSA protein binding properties and tumor suppressive functionBarma, Arpita / Ghosh, Deblina / Karmakar, Parimal / Roy, Partha et al. | 2021
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Optical properties of Nd3+ ions in (Ca4Nb2)1-xNd2xO9–6x solid solutionPilarek, B. / Ptak, M. / Stefańska, D. / Watras, A. / Peksa, P. / Sieradzki, A. / Szczygieł, I. / Hanuza, J. et al. | 2021
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Synthesis, structures, spectroscopies and properties studies of two organotin (IV) carboxylates with 1,4-naphthalenedicarboxylic acidChen, Xue / Wang, He / Wang, Jiajun / Zhao, Lu / Li, Chuanbi / Liu, Chunling et al. | 2021
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Investigation on synthesis, growth, optical, mechanical, dielectric and third order non linear optical properties of cadmium chloride monohydrate doped sulphamic acid crystals for nonlinear optical device fabricationsAnandaraj, L. / Jothi, L. et al. | 2021
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Metal incorporated sulfonamides as promising multidrug targets: Combined enzyme inhibitory, antimicrobial, antioxidant and theoretical explorationSumrra, Sajjad Hussain / Hassan, Abrar Ul / Zafar, Muhammad Nadeem / Shafqat, Syed Salman / Mustafa, Ghulam / Zafar, Muhammad Naveed / Zubair, Muhammad / Imran, Muhammad et al. | 2021
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Experimental and theoretical evaluation of a newly synthesized quinoline derivative as corrosion inhibitor for iron in 1.0 M hydrochloric acid solutionAbdelshafi, N.S. / Ibrahim, Magdy A. / Badran, Al-Shimaa / Halim, Shimaa Abdel et al. | 2021
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Synthesis of new Tetrazole based-semiconducting polymers for optoelectronic application: Study of the effect of anthracene group on photophysical propertiesGharbi, Samar / Zrida, Habiba / Hriz, Khaled / Chemek, Mourad / Wazzan, Nuha / Majdoub, Mustapha et al. | 2021
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Seven cocrystals of pyrazinamide and organic acids by H-bonds and some noncovalent associationsYang, Xuejuan / Zhu, Jianhong / Chen, Zhuoran / Chen, Bin / Jin, Shouwen / Liu, Bin / Wang, Daqi et al. | 2021
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A water-stable 3-fold parallel interpenetrated Cd(II) coordination polymer as multi-responsive luminescent sensor for detecting Fe3+, Cr2O7 2− and FZD in aqueous mediaGao, Xiuting / Wang, Xiaohe / Lv, Weixiang / Wang, Ning / Yang, Ming / Zhang, Qingfu et al. | 2021
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From rotational resolved spectra to an extended increment system of planar moments allowing ad-hoc conformational identification – Exemplification by the broadband microwave spectrum of -hydroxyisobutyric acidBuschmann, Philipp / Lengsfeld, Kevin G. / Djahandideh, Jasmin / Grabow, Jens-Uwe et al. | 2021
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Synthesis, crystal structure, potential drug properties for Coronavirus of Co(II) and Zn(II) 2-chlorobenzoate with 3-cyanopyridine complexesÖztürkkan, Füreya Elif / Özdemir, Mücahit / Akbaba, Giray Buğra / Sertçelik, Mustafa / Yalçın, Bahattin / Necefoğlu, Hacali / Hökelek, Tuncer et al. | 2021
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Molecular structure, quantum chemical and spectroscopic properties of 2,6–dibromonaphthalene by density functional theory calculationsSertbakan, Tevfik Raci / Özçelik, Fatmanur et al. | 2021
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Exploring the structural evolution and electronic properties of medium-sized barium doped magnesium clustersLi, Yuan Yuan / Hu, Yan Fei / Yuan, Yu Quan / Li, Qing Yang / Xi, Song Guo / Yang, Hang / Yang, Jing et al. | 2021