Glycine Ligands Research Articles

Biological Applications, In Vitro Cytotoxicity, Cellular Uptake, and Apoptotic Pathway Studies Induced by Ternary Cu (II) Complexes Involving Triflupromazine with Biorelevant Ligands.

The novel mixed-ligand complexes derived from the parent antidepressant phenothiazine drug triflupromazine (TFP) were synthesized along with the secondary ligands glycine and histidine. [Cu(TFP)(Gly)Cl]·2H2O (1) and [Cu(TFP)(His)Cl]·2H2O (2) were examined for their in vitro biological properties. Cyclic voltammetry was used to study the binding of both complexes to CT-DNA. The two complexes were examined for antiviral, antiparasite, and anti-inflammatory applications. An in vitro cytotoxicity study on two different cancer cell lines, MCF-7, HepG2, and a normal cell line, HSF, shows promising selective cytotoxicity for cancer cells. An investigation of the cell cycle and apoptosis rates was evaluated by flow cytometry with Annexin V-FITC/Propidium Iodide (PI) staining of the treated cells. Gene expression and western blotting were carried out to determine the expression levels of the pro-apoptotic markers and the anti-apoptotic marker Bcl2. The tested complexes decreased cell viability and triggered apoptosis in human tumor cell lines. Molecular docking was also used to simulate Bcl2 inhibition. Finally, complex (2) has potent antitumor effects on human tumor cells, especially against HepG2 cells, as seen in the cellular drug uptake assay. Consequently, complex (2) may prove useful against cancer, especially liver cancer. For further understanding, it needs to be explored in vivo.

Novel nano-sized metal complexes based on aceclofenac and glycine ligands: Synthesis, Characterization, molecular docking studies and their enhanced efficacy in ameliorating testicular and spermatological oxidative damages in male rats

New nano metal complexes of Cu(II), Zr(IV), La(III), Th(IV) and U(VI) ions using Acecl as primary ligand and glycine (Gly) as secondary ligand were synthesized and characterized. Physico-chemical and spectroscopic techniques namely, elemental (CHN), molar-conductance (Λ), magnetic susceptibility (µeff), ultraviolet–visible (UV–Vis.), Fourier-transform-infrared (FT-IR), proton-nuclear-magnetic-resonance (1H NMR), x-ray-diffraction (XRD), mass-spectrometry (m/z), and thermal-analyses (TG-DTG/DTA), were utilized to determine the binding mode and composition of the complexes. FT-IR spectra revealed that Acecl chelated as negative bidentate mode to the metal ions via oxygen of carboxylic and keto groups while, Gly chelated as negative bidentate via nitrogen of amino group and deprotonated carboxylic oxygen. Λ values revealed that La(III) and Th(IV) complexes were 1:1 and 1:2 electrolytes. XRD designated the formation of metal complexes, in which their structures changed from ligands due to presence of metal ions and all complexes found as crystalline in phase. Forty-two male-albino-rats categorized into seven groups, comprising healthy, Acecl treated and its metal complexes groups were examined. Treatment with Acecl showed severe testicular-toxicity, manifested by severe atrophy in seminiferous tubules, arrested spermatogenesis and negatively-altered semen parameters. Such oxidative-damages recognized by elevated oxidants levels, reduced anti-oxidant activities and up-regulated testicular cell pro-apoptotic-P53. Contrarily, metals complexation, particularly Zr(IV) complex, protected testes from Acecl-induced testicular-apoptosis through increasing pro-survival-BCL2, lowering pro-apoptotic-P53, reducing oxidant levels and stimulating anti-oxidants activities. Consequently, marked improvements in testicular histo-architecture, spermatognial maturation and sperm characteristics towards the healthy were noticed. Regarding molecular docking, Zr(IV)-complex experienced the best binding affinities with superoxide-dismutase, catalase and P-53 targets. ADME-Tox prediction of novel metal complexes revealed their acceptable drug-likeness properties.

Platinum (II) complex of isopentyl glycine ligand: DNA binding, molecular dynamic, and anticancer activity against breast cancer

In this paper, we performed thorough experimental and theoretical calculations to examine the interaction between Pt derivative, as an anticancer, and ct-DNA. The mode of DNA binding with [Pt(NH3)2(Isopentylgly)]NO3, where Isopentylgly is Isopentyl glycine, was evaluated by various spectroscopic methods, docking, and molecular dynamics simulation studies. UV-Vis and fluorescence spectroscopic titration results and CD spectra of DNA-drug showed this interaction is via groove binding. Also, thermal stability studies or DNA melting temperature changes (ΔTm), as well as the quenching emissions monitoring proved it. Also, the thermodynamic parameter and binding constant displayed that complex-DNA formation is a spontaneous process, and H-binding and also groove binding were found to be the main forces. Theoretical studies stated [Pt(NH3)2(Isopentylgly)]NO3-DNA formation occurs on C-G center on DNA, along with rising DNA-compound stability. IC50 value against the human breast cell line probably is due to the Isopentyl glycine ligand in the structure of the Pt compound, and it was obtained more than cisplatin and less than carboplatin against the MCF7 cell. Communicated by Ramaswamy H. Sarma

Manganese-glycine-nitrate complexes – Synthesis, structural and thermal characterization

In the system Gly − Mn(NO3)2 − H2O at 10 °C and equilibrium conditions, crystallization of two new compounds was established: 2Gly·Mn(NO3)2 with a wide field of crystallization and 6Gly·2Mn(NO3)2·3H2O with a narrow field of crystallization. The crystal structures of both compounds are made up of chain-linked octahedra differing in composition. In both compounds, glycine acts as a bidentate ligand. Water molecules are not involved in the coordination environment of the Mn2+ ion, which is to be expected according to Pearson's softness-hardness concept. In the compound 2Gly·Mn(NO3)2 (triclinic system, P-1 space group) the octahedra [MnO4(4/2Gly)O2(2NO3)]0 are composed of two types of ligands and are electroneutral, while in the compound 6Gly·2Mn(NO3)2·3H2O (monoclinic system, P21/n space group) positively charged octahedra [MnO6(6/2Gly)]2+ are built of glycine ligands only. For steric and electrostatic reasons, the structure of 2Gly·Mn(NO3)2 is more stable and provides a wider concentration interval of its crystallization. The FTIR and Raman spectra, as well as the thermal behavior of both compounds are discussed.

Spectroscopy and molecular dynamic study of the interaction of calf thymus DNA by anticancer Pt complex with butyl glycine ligand

Despite the past few decades since the discovery of anticancer drugs, there is still no definitive treatment for its treatment. Cisplatin is a chemotherapy medication used to treat some cancers. In this research, the DNA binding affinity of Pt complex with butyl glycine ligand was studied by various spectroscopy methods and simulation studies. Fluorescence and UV–Vis spectroscopic data showed groove binding in ct-DNA-[Pt(NH3)2(butylgly)]NO3 complex formation by the spontaneous process. The results were also confirmed by small changes in CD spectra and thermal study (Tm), as well as the quenching emission of [Pt(NH3)2(butylgly)]NO3 complex on DNA. Finally, thermodynamic and binding parameters displayed that hydrophobic forces are the main forces. Based on docking simulation, [Pt(NH3)2(butylgly)]NO3 could bind to DNA and via minor groove binding on C-G center on DNA, formed a stable DNA complex.

In-vitro cytotoxicity and in-vivo antitumor activity of two platinum complexes with 1,3-dimethyl pentyl glycine ligand against breast cancer

Platinum (Pt) derivatives are good candidates for discovering new anti-tumor agents. The present research aims to explore the in-vivo and in-vitro anticancer activity of two platinum complexes with 1,3-dimethyl pentyl glycine ligand (DMPG), [Pt(bpy)(13DMPG)]NO3 and [Pt(dach)(13DMPG)]NO3, against breast cancer cells. The present study was conducted to investigate the cytotoxic potential of these compounds (2–400 μM) compared to standard drugs (cisplatin, oxaliplatin, and carboplatin) on SKBR3 cells using the methyl thiazol-tetrazolium (MTT) assay. Furthermore, the gene expression changes of Bak, Bim, Bcl-2, Caspase-3, and Caspase-9 were carried out by real-time polymerase chain reaction (PCR), and flow cytometric analysis was performed to confirm the cell apoptosis in the presence of the compounds. For more validation, in-vivo anticancer activities of both compounds were investigated against breast transplanted tumors in the BALB/c mice model. The cytotoxic studies by MTT assay revealed the anti-proliferative potential of both derivatives. [Pt(dach)(13DMPG)]NO3 with an IC50 value of 15 μM, exhibited higher cytotoxicity against SKBR3 cells as compared to [Pt(bpy)(13DMPG)]NO3, oxaliplatin, and carboplatin. Based on the flow cytometry analysis, both derivatives demonstrated apoptotic effects. Also, real-time PCR analysis revealed an up-regulation of Bak, Bim, Bax, Caspases-3, and Caspase-9 genes and a significant reduction in Bcl-2 gene expression in treated cells with both compounds compared to the control group. In-vivo results validated in-vitro analysis and showed the anticancer activity of compounds against breast transplanted tumors in the BALB/c mice model. According to the results, [Pt(dach)(13DMPG)]NO3 displayed a significant anticancer activity.

Property evaluation of two anticancer candidate platinum complexes with N-isobutyl glycine ligand against human colon cancer.

Small molecules have potential usage in cancer therapy due to their remarkable potency of disarranging the natural structure of nucleic acids. In this study, two complexes [Pt(NH3)2(IBgly)]NO3 (1) and [Pt(bipy)(IBgly)]NO3 (2) based on Pt(II), N-isobutylglycine (IBgly), 2,2'-bipyridine, and ammonia were prepared and characterized by spectroscopic methods. Pharmacokinetic ADME data, absorption, distribution, metabolism, excretion, and bioavailability radar showed two complexes can be introduced for Pt-based anti-cancer drugs. Mechanism of tumor inhibition and DNA interaction of these compounds was studied by UV-Vis, fluorescence, and CD spectroscopies. Also, thermodynamic parameters and the binding constants were calculated through absorption measurements. The fluorescence data showed that a static quenching mechanism occurred for both complexes with a binding constant and binding affinity towards DNA (Kb ≈ 3500M-1 and kq ≈ 2.1 × 1011M-1s-1). The thermodynamic parameters indicated electrostatic approaching and groove binding were more feasible than intercalation mode between Pt(II) complexes and DNA. CD spectra indicated the increasing intensity of the positive band and the negative band decreasing. Density functional theory calculations confirmed the experimental data and determined the quantum chemical descriptors including total energy, hardness, chemical potential, electrophilicity, electronegativity, etc. According to this, the binding tendency of these compounds with DNA could be predicted. Further, molecular docking studies were also performed. Docking studies revealed that the desolvation, hydrogen, and electrostatic binding were effective for the interaction between complexes and DNA with binding energy (- 10.44 and - 9.57kcal/mol) for complexes 1 and 2, respectively, which is mainly of partially electrostatic and groove binding type. The cytotoxic activity of Pt complexes was examined against human colon cancer cell line which indicated good activity with IC50 values of (41.66 and 47.30μM) for both complexes after 72h, respectively. Also, they demonstrated more inhibitory effects compared to carboplatin.

Synthesis and characterization of nonlinear optical metal organic frame work – Cadmium di glycinate monohydrate

The new non-linear optical single crystal of Cadmium di glycinate monohydrate have been synthesized by the slow evaporation solution growth technique and it was characterized by SXRD,powderXRD,SEM, FTIR, UV-Vis-NIR, TG/DTA and SHG measurements. In the polymeric structure the metal ion Cd (II) has coordinated with carboxylate oxygen atom and glycine ligand nitrogen atom. The crystalline nature of the material was proved by PXRD pattern. The lattice strain produced by the bimetallic cadmium is found to be 0.0042. The functional groups are confirmed by FTIR analysis, again the force constant of C-C bond was enhanced to 316 Nm−1. The UV-Visible spectrum reveals the optical qualities such as band gap, transmittance and refractive index of the grown crystal. The lower cut off wavelength was found to be 213 nm. The TG-DTA analyses were carried out to determine the thermal stability as well as the decomposition temperature. The Cadmium-Glycine frame work shows void morphology. The title compound shows superior SHG efficiency compared to standard KDP.

A combined DFT and experimental study into the optoelectronic and charge transport properties of ninhydrin–glycine Schiff base complexes for efficient LED applications

A combined theoretical and experimental study has been performed on four synthesized Schiff base complexes derived from ninhydrin–glycine ligand (NG) with Co(II), Zn(II), Al(III) and Fe(III) metal cations. The FT-IR spectra clearly showed that the complexes behave as tridentate monobasic ONO donor ligand. Furthermore, the energy levels of HOMO, LUMO levels and band gap were determined using the Density Functional Theory (DFT). The experimental and theoretical optical investigation showed that the complexes have good absorption in visible region and blue emission with a maximum emission wavelength located at 436 nm, 471 nm and 478 nm for Co–NG, Zn–NG and Al–NG, respectively. Moreover, based on Marcus theories, we estimated the rate of electron and hole charge transfer. As a result, Al–NG complex has the better electron and hole transport than the other complexes with Ket = 4.10 × 1014 and Kht = 4.86 × 1014, respectively. Finally, to predict the possibility of introducing the studied complexes in light emitting diode (LED) devices, the electron and hole injection barriers were estimated. The found results are interesting which make the studied complexes potential candidates for LED application.

Two new oral candidates as anticancer platinum complexes of 1,3-dimethyl pentyl glycine ligand as doping agents against breast cancer

1,3-Dimethylpentylamine (Geranamine) with a similar structure to amphetamine has been used as an athletic performance promoter (doping agent) and also as an indirect sympathomimetic drug to synthesize of 1,3-dimethyl pentyl glycine (13DMPG). Thereafter, two new anticancer platinum complexes as [Pt(DACH)(13DMPG)]NO3 and [Pt(bpy)(13DMPG)]NO3 were synthesized using this ligand and then characterized by spectroscopic methods. ADMET comparative results indicated that they are entirely in the pink area of the Bioavailability Radar, so they can be considered as drug-like and oral medications. Mechanism of tumor inhibition and DNA binding parameters were investigated and the results indicated the higher ability of [Pt(bpy)(13DMPG)]NO3 with the endothermic process for both systems compared with [Pt(DACH)(13DMPG)]NO3. Fluorescence study showed that the quenching mechanism is static for both drugs with large binding constant and high binding (Kb ≈ 8000 M−1 and kq ≈ 5.3 × 1011 M−1 s−1) affinity towards DNA. CD spectra showed the increased intensity of the positive band and the decreased negative band, meaning B-DNA converting to A-DNA form via electrostatic interaction for positively charged complexes.The cytotoxic effect analyzed by MTT assay showed that both compounds have effective antiproliferative on MCF-7 cell line. In addition, the inhibition effect of [Pt(DACH)(13DMPG)]NO3 (IC50 = 17 µM) was shown to be better than [Pt(bpy)(13DMPG)]NO3 (IC50 = 45 µM).According to DFT results, anticancer properties of [Pt(bpy)(13DMPG)]NO3 mainly is more than cisplatin and [Pt(DACH)(13DMPG)]NO3. Docking studies showed that the desolvation energy and hydrogen bond are more effective compared to the other interactions. The torsional free energy, about +1.19 kcal/mol, for both complexes mainly provides groove binding with partially electrostatic and intercalate bindings.

Glycine-Functionalized CsPbBr3 Nanocrystals for Efficient Visible-Light Photocatalysis of CO2 Reduction.

Capping ligands are indispensable for the preparation of metal-halide-perovskite (MHP) nanocrystals (NCs) with good stability; however, the long alkyl-chain capping ligands in conventional MHP NCs will be unfavorable for CO2 adsorption and hinder the efficient carrier separation on the surface of MHP NCs, leading to inferior catalytic activity in artificial photosynthesis. Herein, CsPbBr3 nanocrystals with short-chain glycine as ligand are constructed through a facile ligand-exchange strategy. Owing to the reduced hindrance of glycine and the presence of the amine group in glycine, the photogenerated carrier separation and CO2 uptake capacity are noticeably improved without compromising the stability of the MHP NCs. The CsPbBr3 nanocrystals with glycine ligands exhibit a significantly increased yield of 27.7 μmol g-1 h-1 for photocatalytic CO2 -to-CO conversion without any organic sacrificial reagents, which is over five times higher than that of control CsPbBr3 NCs with conventional long alkyl-chain capping ligands.

A Computational and Numerical Studies of OLED Based on Ninhydrin–Glycine Schiff Base Complex

In this work, detailed experimental and theoretical studies are performed on the optoelectronic properties of a Schiff base complex derived from a ninhydrin–glycine (NG) ligand with Al (III) metal. The good functionality and experimental results were confirmed by simulations. The complex shows absorption in the visible range and a blue emission. Furthermore, the charge transport investigation showed that Al–NG has good and balanced hole and electron mobilities equal to 8.44 $\times \,\,10^{-6}$ cm $^{2}\,\,\text{V}^{-1}\,\,\text{s}^{-1}$ and 7.10 $\times \,\,10^{-6}$ cm $^{2}\,\,\text{V}^{-1}\,\,\text{s}^{-1}$ , respectively. The favorable properties make Al–NG complex a promising candidate for the development of organic light-emitting diode (OLED) applications. Using these interesting characteristics, a numerical simulation is performed to have the predictive behavior of indium tin oxide (ITO)/Al–NG/Al OLED device. Finally, we present the effect of thickness and temperature on the OLED electric characteristics.

Synthesis and spectral analysis of some metal complexes with mixed Schiff base ligands 1-[2-(2-hydroxybenzylideneamino)ethyl]pyrrolidine-2,5-dione (HL1) and (2-hydroxybenzalidine)glycine (HL2)

In this paper, new metal ions complexes of [chromium (III), iron (III), cobalt(II), nickel(II), copper(II) and cadmium(II)] were prepared from mixed Schiff base ligands 1-(2-aminoethyl) pyrrolidine-2,5-dione ligand which was prepared form the reaction of the succinic anhydride with ethylenediamine then reacted with salicyaldehyde to form a new Schiff base ligand1-[2-(2-hydroxybenzylideneamino)ethyl]pyrrolidine-2,5-dione (HL1) . The amino acid (glycine) was reacted with salicyaldehyde to form another new Schiff base ligand (2-hydroxybenzaldine)glycine (HL2) . The two types of Schiff bases ligands (HL1) , (HL2) were mixed with some metal ions [(Cr+3, Fe+3, Co+2, Ni+2, Cu+2 and Cd+2)] to obtain a new metal complexes. The Schiff base ligands were characterized by physic-chemical spectroscopic techniques such as: FT-IR Spectra, UV-Vis. Spectra, mass spectroscopy, 1HNMR and microanalysis techniques (C.H.N). Which is indicated the purity of Schiff base ligands. The fragments of the prepared free Schiff base ligand (HL1) were identified by mass spectrometer technique. The metal complexes were characterized by spectroscopic techniques such as: FT-IR Spectra, UV-Vis. Spectra, molar conductivity, magnetic moment and microanalysis techniques (C.H.N) and chloride ion percentage. All the analysis of ligands and their metal complexes were in good agreement with the theoretical values which indicated the purity of Schiff base ligands and their metal complexes. From the above data, the molecular structures for all the metal complexes were proposed to be octahedral. The values of magnetic moments showed that all metal complexes are paramagnetic except cadmium (II) complex which is diamagnetic. The values of molar conductivity also appeared that all metal complexes are non-electrolytic nature except iron (III) complex which is electrolytic.

Effect of Presence of Aliphatic Glycine in the Anti-cancer Platinum Complex Structure on Human Serum Albumin Binding

In this work, a new water-soluble Pt(II) complex was synthesized with aliphatic glycine ligand with a formula of cis-[Pt(NH3)2(isopentylgly)]NO3, as an anti-cancer drug, and characterized. To determine the binding constant of the human serum albumin (HSA, the most abundant carrier proteins in the human circulatory system) to this complex and the binding site of the complex on HSA, the melting point of HSA and the kinetics of this interaction were investigated to introduce an anti-breast cancer drug with fewer side effects. HSA interaction with the complex was studied via a spectroscopic method at 27 and 37 °C and physiological situation (I = 10 mM, pH = 7.4) and molecular docking. The toxicity value of this complex was obtained against the human cancer breast cell line of MCF-7. The thermodynamic parameters of enthalpy and entropy were also achieved in the empirical procedure. Due to the spontaneity of the interaction, Gibbs free energy variation was obtained negative. The binding constant of this complex to HSA was 3.9 × 105 (M−1). Empirical results showed that the quenching mechanism was static. Hill coefficients, Hill constant, complex aggregation number around protein, number of binding sites, and protein melting temperature with complex were obtained. The kinetics of this interaction was also investigated, which showed that this interaction follows a second-order kinetic. The molecular docking data indicated that the position of the interaction of complex on the protein was the site I in the sub-second IIA. Also, the hydrogen bonding and the hydrophobic interaction as the dominant binding forces were seen in complex–HSA formation. This interaction with positive cooperativity was recognized via a superior hydrogen bond. The reasonable binding constant was also obtained, which could ultimately be a good option as an anti–breast cancer drug.

Dual Passivation of CsPbI3 Perovskite Nanocrystals with Amino Acid Ligands for Efficient Quantum Dot Solar Cells.

Inorganic CsPbI3 perovskite quantum dot (PQD) receives increasing attention for the application in the new generation solar cells, but the defects on the surface of PQDs significantly affect the photovoltaic performance and stability of solar cells. Herein, the amino acids are used as dual-passivation ligands to passivate the surface defects of CsPbI3 PQDs using a facile single-step ligand exchange strategy. The PQD surface properties are investigated in depth by combining experimental studies and theoretical calculation approaches. The PQD solid films with amino acids as dual-passivation ligands on the PQD surface are thoroughly characterized using extensive techniques, which reveal that the glycine ligand can significantly improve defect passivation of PQDs and therefore diminish charge carrier recombination in the PQD solid. The power conversion efficiency (PCE) of the glycine-based PQD solar cell (PQDSC) is improved by 16.9% compared with that of the traditional PQDSC fabricated with Pb(NO3 )2 treating the PQD surface, owning to improved charge carrier extraction. Theoretical calculations are carried out to comprehensively understand the thermodynamic feasibility and favorable charge density distribution on the PQD surface with a dual-passivation ligand.

Characterization and Thermal Behavior of the Iron Dietary Supplement Ferrous Glycine Sulfate Pentahydrate

Ferrous glycine sulfate pentahydrate [Fe(glycine)(SO4)·5H2O with glycine = C2H5NO2], contained in the supplement for treating iron deficiency anaemia, commercially known as ferro sanol duodenal®, was characterized by laboratory X‐ray powder diffraction (XRPD), scanning electron microscope (SEM), and infrared spectroscopy (IR). The thermal behavior was investigated by thermal analysis (TGA and DTA) and temperature‐dependent in situ XRPD measurements. Furthermore, the phase transitions to a less hydrated form [Fe(glycine)(SO4)·3H2O] and successively to the anhydrous form were demonstrated to occur in the crystalline solid state. Compared to the crystal structure of the pentahydrate, the trihydrate exhibits a different coordination environment of the iron sites where glycine ligands bridge iron forming a 1D polymeric chain structure. From detailed structural comparison, the mechanism of the phase transitions can be concluded.

Ternary Copper(II) and Nickel(II) chelates of 2,2′-Bipyridyl and glycine: X-ray structures, kinetics, DNA binding and cleavage activities

Ternary copper(II) and nickel(II) chelates of 2,2′-bipyridyl and glycine ligands with the formula of [Cu(BPy)(Gly)Cl] 1, [Cu(BPy)(Gly)(H2O)]NO32 and [Ni(BPy)(Gly)(H2O)2]Cl·H2O 3 were synthesized and structurally characterized by using X-ray crystallography. Copper(II) compounds 1 and 2 form slightly distorted square-pyramidal coordination geometries of CuN3ClO and CuN3O2, respectively. Whereas, nickel(II) compound 3 shows an octahedral coordination geometry of NiN3O3. Kinetic measurements have been made with the objective of correlating the influence of geometry. The thiourea substitution reaction of 1 in water is a monophasic process that involves the subsequent displacement of chloride ligand with k2300 = 21.1 ± 0.8 M−1s−1. The activation parameters, ΔH# = 79.2 ± 2.5 kJ mol−1 and ΔS# = 68.4 ± 8.7 J K−1 mol−1, for the chloride substitution reactions indicate that the reaction follows a dissociative mechanism. The interactions of compounds 2 and 3 towards DNA were examined with the help of absorption spectroscopic technique. The binding constants (Kb) of 2 and 3 to DNA were found to be 4.7 × 105 and 2.4 × 105 M−1, respectively, indicating that both compounds show good binding activity to calf thymus DNA. The nuclease mimic activity of both 2 and 3 was also assessed by its ability to cleave super coiled plasmid DNA to nicked and linear forms in the absence of any external additives. On the other hand, the quasi-reversible CuII/CuI redox couple slightly improves its reversibility with a considerable decrease in current intensity. All the experimental results indicated that the bipyridyl mixed copper(II) complex 2 intercalates more effectively into the DNA base pairs.

A first-principles computational and experimental investigation on schiff base cobalt complex towards designing solar cells

A synthesized cobalt complex (Co-NG) based on a Schiff base, derived from ninhydrin and glycine ligand, with cobalt Co (II) metal is presented. A combined theoretical and experimental study is performed. The Co-NG crystalline structure is obtained from XRD spectra, which reveals that the crystal belongs to the triclinic system. Furthermore, the FT-IR spectrum clearly shows that the complex behaves as tridentates monobasic ONO donor ligand. In addition, the optical observations in different solvents show a good absorption in visible especially in Dimethyl sulfoxide (DMSO) solvent with two maxima around 415 nm and 604 nm. Moreover, the Density Functional Theory (DFT) calculations reveal that the Co-NG complex has an energy gap equal to 2.85 eV, where the LUMO energy of the dye is above the TiO2 conduction band and the HOMO energy is below the electrochemical potential of redox couple I−/I3− in the electrolyte. Finally, some photovoltaic parameters including the electron injection (∅inj) and the redox process rate (∅red), which are equal to – 0.29 eV and - 1.82 eV, respectively, are estimated. These interesting properties make the Co-NG complex a potential sensitizer for dye sensitized solar cell devices.

Coordinative bonding perturbation of some first series transition metal ions by the glycine ligand

The coordinative bonding interaction involving glycine ligand with three randomly, selected transition metals ions chromium, nickel and titanium is analysed using standard perturbation principles. The experimental data is collected by accurately measuring the spectral shifts or relative strengths of perturbations from corresponding electronic spectra of the solution complexes and through supportive DFT calculations using some innovative approaches. The observed spectral shifts are interpreted as glycine ligand perturbations on the appropriate excited electronic state of the transition metal ion following coordinative bonding interaction. The neighbouring excited but unperturbed states including the ground state facilitate the redistribution of the perturbation energy within the manifold of the transition metal ion electronic energy states. The information allows for a detailed new insight into the intrinsic mechanism of coordinative bonding interaction.

Effect of glycine on structural, optical and dielectric properties of solution grown samarium chloride coordinated with salicylic acid

Samarium chloride coordinated with salicylic acid (SMS) and samarium chloride coordinated with two organic ligands glycine and salicylic acid (SMGS) have been grown by low temperature solution technique i.e., slow evaporation method. The crystalline nature of the material was firstly confirmed by single crystal X-ray diffraction analysis and secondly by powder X-ray diffraction analysis. It has been observed that the material prepared crystallizes in monoclinic system having space group P121/c1. The modes of vibration of different molecular group present in SMS and SMGS have been confirmed by Fourier transform infrared (FTIR) analysis. It indicates the coordination of ligands in complexes i.e., salicylic acid coordinated through oxygen atoms of carbonyl group (C=O) and glycine ligand coordinated through nitrogen atoms. UV–Vis transmittance study analyzes the optical transparency of SMS and SMGS and it has been found that with the incorporation of glycine in SMS transmittance decreases. Moreover, the impact of glycine in SMS single crystal on its various optical parameters such as optical band gap, refractive index and optical conductivity has been calculated. The decrease in the value of optical band gap from 3.43 to 3.29 eV with the incorporation of glycine in SMS has been observed. The calculated values of refractive index at 425 nm for SMS and SMGS complexes are 1.30 and 2.46 respectively and the optimum value of optical conductivity at 425 nm for SMS and SMGS is 4 $$\times$$ 105 and 1.4 $$\times$$ 107 Sm−1 respectively. Luminescence of Sm3+ ion is strongly sensitized by salicylic acid as compared to glycine thereby fluorescence of the SMGS complex diminished. Decrease in the dielectric constant was observed with the incorporation of glycine in SMS single crystal. Complex electric modulus analysis confirms the non-Debye type of relaxation in both the materials. Activation energy value depends on frequency as well as on glycine coordination in SMS single crystal.