The Experts below are selected from a list of 360 Experts worldwide ranked by ideXlab platform
Pedro P. Corbi - One of the best experts on this subject based on the ideXlab platform.
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Copper(II) and silver(I) complexes with Sulfamethizole: synthesis, spectroscopic characterization, ESI-QTOF mass spectrometric analysis, crystal structure and antibacterial activities
Polyhedron, 2017Co-Authors: Lais Megumi Yamamoto, Julia Helena Bormio Nunes, Marcos A. Ribeiro, Ana Maria Da Costa Ferreira, Wilton R. Lustri, Pedro P. CorbiAbstract:Abstract A ternary copper(II) complex with Sulfamethizole (SMZ, C9H10N4O2S2) and 1,10-phenantroline (phen), [Cu(SMZ)2(phen)], and a silver(I) complex with Sulfamethizole, Ag-SMZ, are presented. Elemental analyses indicate a 2:1:1 SMZ/copper/phen composition for the [Cu(SMZ)2(phen)] complex and a 1:1 silver/SMZ composition for the Ag-SMZ complex. Mass spectrometric analyses permitted identifying the [Cu(SMZ)2(phen)+H]+ and [Ag(SMZ)+H]+ ions at m/z 782.0297 and m/z 378.9371, respectively, confirming the proposed compositions. Theoretical isotopic patterns match with the experimental ones for the copper and silver complexes. 1H and {15N,1H} HMBC nuclear magnetic resonance (NMR), and infrared (IR) spectroscopic measurements evidence the coordination of Sulfamethizole to silver(I) by the SO2-N group, and indicate the participation of the 5-membered heterocyclic ring 5-methyl-1,3,4-thiadiazole in coordination. The [Cu(SMZ)2(phen)] crystal structure was determined by single crystal X-ray diffractometry, attesting the N-coordination of Sulfamethizole to copper(II) by the nitrogen of the 5-methyl-1,3,4-thiadiazole heterocyclic ring. Electronic paramagnetic resonance (EPR) indicates a square pyramidal geometry around the copper(II) ion for the [Cu(SMZ)2(phen)] complex. Biological studies showed the antibacterial activity of the Ag-SMZ and [Cu(SMZ)2(phen)] complexes over Gram-positive and Gram-negative bacteria. Both complexes have shown to be more active against Gram-negative Pseudomonas aeruginosa ATCC bacterial strain, with minimum inhibitory concentration (MIC) values of 0.41 mmol L−1 for the silver(I) complex and 1.60 mmol L−1 for the copper(II) complex.
Sajesh P Thomas - One of the best experts on this subject based on the ideXlab platform.
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conformational simulation of Sulfamethizole by molecular complexation and insights from charge density analysis role of intramolecular s o chalcogen bonding
Crystal Growth & Design, 2015Co-Authors: Sajesh P Thomas, Srimukh Prasad Veccham, Louis J Farrugia, T Guru N RowAbstract:Intramolecular S···O chalcogen bonding and its potential to lock molecular conformation have been examined in the crystal forms of Sulfamethizole, a sulfonamide antibiotic. Molecular complexes of Sulfamethizole, including salts and cocrystal, have been synthesized, and their crystal structures were analyzed in order to examine the possible conformational preferences of the molecule in various ionic states and supramolecular environments (neutral/cocrystal, anionic salt, and cationic salt forms). The electrostatic potential mapped on Hirshfeld surfaces generated for these crystal forms provides insights into the possible binding modes of the drug in different environments. Further, the observed conformation locking feature has been rationalized in terms of the experimental charge density features of the intramolecular S···O chalcogen bonding in Sulfamethizole. The study quantitatively illustrates and rationalizes an intriguing case of a local minimum of molecular conformation being exclusively preferred ov...
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conformational simulation of Sulfamethizole by molecular complexation and insights from charge density analysis role of intramolecular s center dot center dot center dot o chalcogen bonding
2015Co-Authors: Sajesh P Thomas, Srimukh Prasad Veccham, Louis J Farrugia, Guru Tn RowAbstract:Intramolecular S center dot center dot center dot O chalcogen bonding and its potential to lock molecular conformation have been examined in the crystal forms of Sulfamethizole, a sulfonamide antibiotic. Molecular complexes of Sulfamethizole, including salts and cocrystal, have been synthesized, and their crystal structures were analyzed in order to examine the possible conformational preferences of the molecule in various ionic states and supramolecular environments (neutral/cocrystal, anionic salt, and cationic salt forms). The electrostatic potential mapped on Hirshfeld surfaces generated for these crystal forms provides insights into the possible binding modes of the drug in different environments. Further, the observed conformation locking feature has been rationalized in terms of the experimental charge density features of the intramolecular S center dot center dot O chalcogen bonding in Sulfamethizole. The study quantitatively illustrates and rationalizes an intriguing case of a local minimum of molecular conformation being exclusively preferred over the global minimum, as it facilitates more efficient intermolecular interactions in a supramolecular environment.
Francisco Sanzruiz - One of the best experts on this subject based on the ideXlab platform.
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coordination chemistry of Sulfamethizole crystal structures of cu sulfamethizolate 2 py 2 oh2 h2o m sulfamethizolate 2 py 2 oh2 2 m co and ni and cu sulfamethizolate 2 dmf 2
Polyhedron, 2000Co-Authors: Elisa Borras, Gloria Alzuet, Joaquin Borras, Juan Servercarrio, Alfonso Castineiras, Malva Liugonzalez, Francisco SanzruizAbstract:Abstract The synthesis and characterisation of copper, cobalt, nickel and zinc compounds with Sulfamethizole (4-amino-N-(5-methyl-1,3,4-thiadiazole-2-yl)sulfanilamide) (Hsmtz) are described. The first crystal structures of ternary Sulfamethizole complexes are reported. The crystal structures of Cu(smtz)2(py)2(OH2)·H2O (1), M(smtz)2(py)2(OH2)2 [M=Co (2), Ni (3)] and {Cu(smtz)2(dmf)2}∞ (5) were determined by X-ray diffraction. The Cu(II) ion exhibits a square pyramidal geometry in complex 1, while in the other compounds the metal ion presents a distorted octahedral environment. In compounds 1, 2 and 3 the deprotonated Sulfamethizole acts as monodentate ligand coordinating through the thiadiazole N atom and in compound 5 it behaves as a bridge linking two metal cations via the thiadiazole and the amino nitrogen atoms. The IR, electronic, EPR and thermal data are consistent with the crystal structures.
Vitali Syritski - One of the best experts on this subject based on the ideXlab platform.
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Sulfamethizole imprinted polymer on screen printed electrodes towards the design of a portable environmental sensor
Sensors and Actuators B-chemical, 2020Co-Authors: Akinrinade George Ayankojo, Jekaterina Reut, Andres Opik, Vitali SyritskiAbstract:Abstract As the demand for portable, selective yet sensitive environmental pollutants monitoring devices increases, electrochemical sensors specifically screen-printed electrodes (SPEs) integrated with molecularly imprinted polymer layers are gaining unprecedented attention. The work reported herein demonstrates a successful adaptation of an antibiotic imprinted polymer from one platform to another of different sensing principles, without compromising its performance. Specifically, Sulfamethizole-MIP (SMZ-MIP) previously optimized on a surface acoustic wave (SAW) platform is redesigned on SPE with necessary upgrade to achieve a portable and highly-performing cost-effective electrochemical sensor for detecting Sulfamethizole (SMZ) in water. Sensor performance, as analysed by differential pulse voltammetry (DPV) electrochemical technique indicates rapid response, good sensitivity as represented by an LOD of 0.9 nM, and LOQ of 3 nM; excellent selectivity, as well as concentration dependent responses both in buffer and tap water samples. This study indicates a significant step towards achieving the desired commercially viable small molecule detection platform that combines important peculiarity of low cost, ease of operation, portability and on-site utilization in environmental water.
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molecularly imprinted polymer integrated with a surface acoustic wave technique for detection of Sulfamethizole
Analytical Chemistry, 2016Co-Authors: Akinrinade George Ayankojo, Aleksei Tretjakov, Jekaterina Reut, Roman Boroznjak, Andres Opik, J Rappich, Andreas Furchner, Karsten Hinrichs, Vitali SyritskiAbstract:The synergistic effect of combining molecular imprinting and surface acoustic wave (SAW) technologies for the selective and label-free detection of Sulfamethizole as a model antibiotic in aqueous environment was demonstrated. A molecularly imprinted polymer (MIP) for Sulfamethizole (SMZ) selective recognition was prepared in the form of a homogeneous thin film on the sensing surfaces of SAW chip by oxidative electropolymerization of m-phenylenediamine (mPD) in the presence of SMZ, acting as a template. Special attention was paid to the rational selection of the functional monomer using computational and spectroscopic approaches. SMZ template incorporation and its subsequent release from the polymer was supported by IR microscopic measurements. Precise control of the thicknesses of the SMZ-MIP and respective nonimprinted reference films (NIP) was achieved by correlating the electrical charge dosage during electrodeposition with spectroscopic ellipsometry measurements in order to ensure accurate interpretat...
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Molecularly Imprinted Polymer Integrated with a Surface Acoustic Wave Technique for Detection of Sulfamethizole
2016Co-Authors: Akinrinade George Ayankojo, Aleksei Tretjakov, Jekaterina Reut, Roman Boroznjak, J Rappich, Andreas Furchner, Karsten Hinrichs, Andres Öpik, Vitali SyritskiAbstract:The synergistic effect of combining molecular imprinting and surface acoustic wave (SAW) technologies for the selective and label-free detection of Sulfamethizole as a model antibiotic in aqueous environment was demonstrated. A molecularly imprinted polymer (MIP) for Sulfamethizole (SMZ) selective recognition was prepared in the form of a homogeneous thin film on the sensing surfaces of SAW chip by oxidative electropolymerization of m-phenylenediamine (mPD) in the presence of SMZ, acting as a template. Special attention was paid to the rational selection of the functional monomer using computational and spectroscopic approaches. SMZ template incorporation and its subsequent release from the polymer was supported by IR microscopic measurements. Precise control of the thicknesses of the SMZ-MIP and respective nonimprinted reference films (NIP) was achieved by correlating the electrical charge dosage during electrodeposition with spectroscopic ellipsometry measurements in order to ensure accurate interpretation of label-free responses originating from the MIP modified sensor. The fabricated SMZ-MIP films were characterized in terms of their binding affinity and selectivity toward the target by analyzing the binding kinetics recorded using the SAW system. The SMZ-MIPs had SMZ binding capacity approximately more than eight times higher than the respective NIP and were able to discriminate among structurally similar molecules, i.e., sulfanilamide and sulfadimethoxine. The presented approach for the facile integration of a sulfonamide antibiotic-sensing layer with SAW technology allowed observing the real-time binding events of the target molecule at nanomolar concentration levels and could be potentially suitable for cost-effective fabrication of a multianalyte chemosensor for analysis of hazardous pollutants in an aqueous environment
Lais Megumi Yamamoto - One of the best experts on this subject based on the ideXlab platform.
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Copper(II) and silver(I) complexes with Sulfamethizole: synthesis, spectroscopic characterization, ESI-QTOF mass spectrometric analysis, crystal structure and antibacterial activities
Polyhedron, 2017Co-Authors: Lais Megumi Yamamoto, Julia Helena Bormio Nunes, Marcos A. Ribeiro, Ana Maria Da Costa Ferreira, Wilton R. Lustri, Pedro P. CorbiAbstract:Abstract A ternary copper(II) complex with Sulfamethizole (SMZ, C9H10N4O2S2) and 1,10-phenantroline (phen), [Cu(SMZ)2(phen)], and a silver(I) complex with Sulfamethizole, Ag-SMZ, are presented. Elemental analyses indicate a 2:1:1 SMZ/copper/phen composition for the [Cu(SMZ)2(phen)] complex and a 1:1 silver/SMZ composition for the Ag-SMZ complex. Mass spectrometric analyses permitted identifying the [Cu(SMZ)2(phen)+H]+ and [Ag(SMZ)+H]+ ions at m/z 782.0297 and m/z 378.9371, respectively, confirming the proposed compositions. Theoretical isotopic patterns match with the experimental ones for the copper and silver complexes. 1H and {15N,1H} HMBC nuclear magnetic resonance (NMR), and infrared (IR) spectroscopic measurements evidence the coordination of Sulfamethizole to silver(I) by the SO2-N group, and indicate the participation of the 5-membered heterocyclic ring 5-methyl-1,3,4-thiadiazole in coordination. The [Cu(SMZ)2(phen)] crystal structure was determined by single crystal X-ray diffractometry, attesting the N-coordination of Sulfamethizole to copper(II) by the nitrogen of the 5-methyl-1,3,4-thiadiazole heterocyclic ring. Electronic paramagnetic resonance (EPR) indicates a square pyramidal geometry around the copper(II) ion for the [Cu(SMZ)2(phen)] complex. Biological studies showed the antibacterial activity of the Ag-SMZ and [Cu(SMZ)2(phen)] complexes over Gram-positive and Gram-negative bacteria. Both complexes have shown to be more active against Gram-negative Pseudomonas aeruginosa ATCC bacterial strain, with minimum inhibitory concentration (MIC) values of 0.41 mmol L−1 for the silver(I) complex and 1.60 mmol L−1 for the copper(II) complex.
