In this work, the isonicotinamide was coordinated to the Cobalt ion in oxidation state +2. The relevance of this work is the investigation of the in vitro bactericidal potential of the synthesized complex when tested ...In this work, the isonicotinamide was coordinated to the Cobalt ion in oxidation state +2. The relevance of this work is the investigation of the in vitro bactericidal potential of the synthesized complex when tested in Gram-positive and negative bacteria strains. This study is motivated by the need to obtain new materials that have antibiotic properties and that, in the future, may become an effective drug against resistant bacteria. A new coordination compound of Cobalt and isonicotinamide, [Co(H2O)(isn)3](BF4)2, was synthesized and described. The compound was characterized by thermoanalytical techniques TG-DTG and TG-DSC, where it was possible to propose the mechanism of thermal decomposition. Through the spectroscopy in the region of the medium infrared (FTIR), it is possible to infer the site of connection between isonicotinamide and metal. The bactericidal activity of [Co(H2O)(isn)3](BF4)2, CoCl2 and free Isonicotinamide were tested for the bacteria Streptococcus mutans (Gram+) and Escherichia coli (Gram−) and the synthesized compound showed to be sensitive for both bacteria.展开更多
Three polymorphs(forms I,II and V)of isonicotinamide(INA)were mechanically flexible and exhibited one-dimensional(1 D)plasticity.Anisotropic intermolecular interactions contribute to the plasticity of single crystals:...Three polymorphs(forms I,II and V)of isonicotinamide(INA)were mechanically flexible and exhibited one-dimensional(1 D)plasticity.Anisotropic intermolecular interactions contribute to the plasticity of single crystals:weak dispersive interactions between slip planes such as 1 D columns in forms I and II or 2 D layers in form V were stabilized by strong hydrogen bonds,allowing the layer or column's surface to glide smoothly without hindrance.The disparity of intermolecular interactions on plastic properties of INA polymorphic crystals was confirmed by energy framework analysis,nanoindentation tests and micro-Raman spectroscopy.The crystal which exhibits plastic property provides a promising application in pharmaceuticals and material sciences.展开更多
One new organic adduct,isonicotinamide·3,5-dinitrosalicylic acid with isonico-tin-amide（ina） and 3,5-dinitrosalicylic acid（3,5-dnsa） in 1：1 molar ratio,has been synthesized.Its struc-ture（C13H10N4O8,Mr = 35...One new organic adduct,isonicotinamide·3,5-dinitrosalicylic acid with isonico-tin-amide（ina） and 3,5-dinitrosalicylic acid（3,5-dnsa） in 1：1 molar ratio,has been synthesized.Its struc-ture（C13H10N4O8,Mr = 350.25） was characterized by elemental analysis,IR and single-crystal X-ray diffraction analysis.The crystal belongs to the triclinic system,space group P1,with a = 8.812（4）,b = 9.487（5）,c = 9.604（6） ,α = 116.54（2）,β = 97.29（5）,γ = 98.35（4）°,V = 693.8（7） 3,Z = 2,Dc = 1.677 g/cm3,λ（MoKα） = 0.71073 ,μ = 0.142 mm-1,F（000） = 360,the final R = 0.0539 and wR = 0.1402 for 2417 unique reflections（Rint = 0.0288） with 1819 observed ones（Ⅰ 〉 2σ（Ⅰ））.Proton transfer reaction occurs between 3,5-dnsa and ina molecules,and the hydrogen bonds（N-H…O and C-H…O） with other interactions（π…π stacking and weak interactions of O…O and C…O） cooperatively construct a three-dimensional（3D） supramolecular structure.展开更多
In the search for new drugs with more efficient active ingredients, various transition metals are being explored as potential metallopharmaceuticals. These compounds, which combine drugs with metals, have shown promis...In the search for new drugs with more efficient active ingredients, various transition metals are being explored as potential metallopharmaceuticals. These compounds, which combine drugs with metals, have shown promise as chemotherapeutic agents, akin to the accidental discovery of cisplatin and its organic derivatives in the late 20th century. This discovery transformed the sciences, particularly in the fields of organic and inorganic chemistry, by offering new insights into the compositions and molecular geometries of inorganic complexes through coordination chemistry, while also intersecting with other scientific domains such as pharmacology and medicine. To contribute to the development of new chemotherapeutic compounds through simple and reproducible synthetic processes, this study utilized rhodium(III) chloride hydrate (RhCl3.nH2O) to synthesize a series of compounds with the following organic N-heterocyclic ligands: 4,4'-dimethyl-2,2'-bipyridine, isonicotinamide, and N-(3-pyridyl)-isonicotinamide (3-pina). Two analytical techniques were employed to characterize the resulting materials: spectroscopic analysis in the infrared region, which suggested interactions and substitutions at the metal center by the organic compounds, and thermoanalytical analyses, which led to the proposal of minimum formulas for the compounds as follows: C1 [RhCl2(4,4'-Met-2,2'-bipy)2]Cl∙5/2H2O and C2 [Rh(4,4'-Met-2,2'-bipy)2(Iso)2] Cl3∙1/2H2O. However, the complexation of the third compound could not be confirmed due to the physicochemical characteristics of the resulting complex being very similar to those of the starting material, thereby validating the effectiveness of these techniques in differentiating and characterizing the synthesized salts. Due to their solubility in water and/or alcohol and thermal stability, the complexes were tested in biological media to assess cell viability in peripheral blood mononuclear cells. The solutions of these salts demonstrated favorable cell viability under the tested conditions, according to statistical analysis, obtaining average viability in the range of 95 ≤ x ≤ 100, with standard deviations between 3.29 ≤ x ≤ 4.44 for living cells.展开更多
文摘In this work, the isonicotinamide was coordinated to the Cobalt ion in oxidation state +2. The relevance of this work is the investigation of the in vitro bactericidal potential of the synthesized complex when tested in Gram-positive and negative bacteria strains. This study is motivated by the need to obtain new materials that have antibiotic properties and that, in the future, may become an effective drug against resistant bacteria. A new coordination compound of Cobalt and isonicotinamide, [Co(H2O)(isn)3](BF4)2, was synthesized and described. The compound was characterized by thermoanalytical techniques TG-DTG and TG-DSC, where it was possible to propose the mechanism of thermal decomposition. Through the spectroscopy in the region of the medium infrared (FTIR), it is possible to infer the site of connection between isonicotinamide and metal. The bactericidal activity of [Co(H2O)(isn)3](BF4)2, CoCl2 and free Isonicotinamide were tested for the bacteria Streptococcus mutans (Gram+) and Escherichia coli (Gram−) and the synthesized compound showed to be sensitive for both bacteria.
基金sponsored by National Key R&D Program of China(No.2016YFC1000900)National Science and Technology Major Project of China(No.2018ZX09711001-001-013)National Natural Science Foundation of China(No.81703438)。
文摘Three polymorphs(forms I,II and V)of isonicotinamide(INA)were mechanically flexible and exhibited one-dimensional(1 D)plasticity.Anisotropic intermolecular interactions contribute to the plasticity of single crystals:weak dispersive interactions between slip planes such as 1 D columns in forms I and II or 2 D layers in form V were stabilized by strong hydrogen bonds,allowing the layer or column's surface to glide smoothly without hindrance.The disparity of intermolecular interactions on plastic properties of INA polymorphic crystals was confirmed by energy framework analysis,nanoindentation tests and micro-Raman spectroscopy.The crystal which exhibits plastic property provides a promising application in pharmaceuticals and material sciences.
基金supported by the National Natural Science Foundation of China (No. 50872057)
文摘One new organic adduct,isonicotinamide·3,5-dinitrosalicylic acid with isonico-tin-amide（ina） and 3,5-dinitrosalicylic acid（3,5-dnsa） in 1：1 molar ratio,has been synthesized.Its struc-ture（C13H10N4O8,Mr = 350.25） was characterized by elemental analysis,IR and single-crystal X-ray diffraction analysis.The crystal belongs to the triclinic system,space group P1,with a = 8.812（4）,b = 9.487（5）,c = 9.604（6） ,α = 116.54（2）,β = 97.29（5）,γ = 98.35（4）°,V = 693.8（7） 3,Z = 2,Dc = 1.677 g/cm3,λ（MoKα） = 0.71073 ,μ = 0.142 mm-1,F（000） = 360,the final R = 0.0539 and wR = 0.1402 for 2417 unique reflections（Rint = 0.0288） with 1819 observed ones（Ⅰ 〉 2σ（Ⅰ））.Proton transfer reaction occurs between 3,5-dnsa and ina molecules,and the hydrogen bonds（N-H…O and C-H…O） with other interactions（π…π stacking and weak interactions of O…O and C…O） cooperatively construct a three-dimensional（3D） supramolecular structure.
文摘In the search for new drugs with more efficient active ingredients, various transition metals are being explored as potential metallopharmaceuticals. These compounds, which combine drugs with metals, have shown promise as chemotherapeutic agents, akin to the accidental discovery of cisplatin and its organic derivatives in the late 20th century. This discovery transformed the sciences, particularly in the fields of organic and inorganic chemistry, by offering new insights into the compositions and molecular geometries of inorganic complexes through coordination chemistry, while also intersecting with other scientific domains such as pharmacology and medicine. To contribute to the development of new chemotherapeutic compounds through simple and reproducible synthetic processes, this study utilized rhodium(III) chloride hydrate (RhCl3.nH2O) to synthesize a series of compounds with the following organic N-heterocyclic ligands: 4,4'-dimethyl-2,2'-bipyridine, isonicotinamide, and N-(3-pyridyl)-isonicotinamide (3-pina). Two analytical techniques were employed to characterize the resulting materials: spectroscopic analysis in the infrared region, which suggested interactions and substitutions at the metal center by the organic compounds, and thermoanalytical analyses, which led to the proposal of minimum formulas for the compounds as follows: C1 [RhCl2(4,4'-Met-2,2'-bipy)2]Cl∙5/2H2O and C2 [Rh(4,4'-Met-2,2'-bipy)2(Iso)2] Cl3∙1/2H2O. However, the complexation of the third compound could not be confirmed due to the physicochemical characteristics of the resulting complex being very similar to those of the starting material, thereby validating the effectiveness of these techniques in differentiating and characterizing the synthesized salts. Due to their solubility in water and/or alcohol and thermal stability, the complexes were tested in biological media to assess cell viability in peripheral blood mononuclear cells. The solutions of these salts demonstrated favorable cell viability under the tested conditions, according to statistical analysis, obtaining average viability in the range of 95 ≤ x ≤ 100, with standard deviations between 3.29 ≤ x ≤ 4.44 for living cells.
