Synthesis, crystal structure and in vitro antitumor activity of carboxylate bridged dinuclear organotin(IV) complexes

Two novel dinuclear organotin(IV) complexes [n-Bu₂Sn(imda)(H₂O)]₂·Bipy (1) and [n-Bu₂Sn(imda)(H₂O)]₂·Phen (2) [H₂imda = iminodiacetic acid, Bipy = 2,2′-bipyridine and Phen = 1,10-phenanthroline] were synthesised and characterized employing IR, ¹H, ¹³C, ¹¹⁹Sn NMR, and ¹¹⁹Sn Mössbauer spectroscopic and elemental analyses. Single crystal X-ray crystallography of 1 has confirmed that it is a binuclear Sn(IV) species formed via carboxylate bridges where each metal adopted a seven coordinate distorted pentagonal bipyramidal geometry. The iminodiacetate dianion (imda²⁻) acts as a potential tridentate [N,O,O] carboxylate bridging ligand. The packing revealed that the additional α-diimine (Bipy or Phen) does not coordinate to metal ion. However, its presence in the crystal lattice as spacer helps for the formation of a supramolecular framework by bringing the two binuclear species close enough through extensive H-bonding. The in vitro cytotoxicity of compounds 1 and 2 indicate better results than cisplatin against three tumor cell lines investigated.     

Manipulation of inherent characteristics of graphene through N and Mg atom co-doping; a DFT study

First-principles calculations were performed to investigate the structural, electronic, magnetic and optical properties of nitrogen (N) and magnesium (Mg) atom co-doped graphene systems. We observed that, N and Mg atom co-doping in graphene, introduces half-metallic properties in the electronic structure of graphene, introduces ferromagnetism behavior along with new trends in optical properties of graphene. Doping site and concentration of N and Mg atoms in graphene was changed and resulting effects of these changes on aforementioned properties were investigated. Through density of states plots we observed that, Mg atom sp orbitals mainly induced magnetic moments in graphene. It was revealed that, N/Mg atoms substitution in graphene introduces a red shift in absorption spectrum towards visible range and a finite absorption coefficient quantity value in 0 to 3 eV and 7 to 11 eV energy intervals is also produced, that is unavailable for absorption spectrum of intrinsic graphene. Moreover, N/Mg atoms co-doping produces increment in the reflectivity parameter of graphene in low lying energy region, while producing diminishing behavior in the higher energy range. These results offer a possibility to tune electronic, magnetic and optical characteristics of graphene sufficiently for utilization in graphene based spintronic and optoelectronic devices.     

A comprehensive analysis of electronic transitions in naphthalene and perylene diimide derivatives through computational methods

Perylene diimide (PDI) and naphthalene diimides (NDIs) are compounds widely used in supramolecular structures due to their versatile and functional properties. They have high absorptions and photoluminescence capabilities, which make them ideal for electronic transition studies. Reflux method, a widely employed synthetic technique, was utilized to synthesize NDI and PDI derivatives. In this method, the respective amino acids and NTDA (naphthalene-1,4,5,8-tetracarboxylic dianhydride) were combined in acetic acid and the resulting mixture was subjected to reflux. This study centered on a diverse set of NDI and PDI ligands, comprising L-ala-NDI, B-ala-NDI, Gly-NDI, Imi-NDI, Pyr-NDI, L-ala-PDI, B-ala-PDI, Gly-PDI, Imi-PDI, and Pyr-PDI ligands. Crystal structures were obtained for three NDI ligands, while the characterization of all ligands involved several analytical techniques such as NMR, IR, UV, DFT, TD-DFT calculations, and single-crystal x-ray crystallography specifically for the NDI ligands. The investigation focused on studying the electron acceptor/donor behavior of the NDI and PDI ligands, identifying their potential for charge transfer applications. Furthermore, the NLO (nonlinear optical) response of all 10 NDI and PDI ligands was assessed through an analysis involving HOMO-LUMO, TDM, EDDM, NCI, Iso-surface, MEP, natural population, and DOS analysis. This evaluation encompassed the examination of linear polarizability, as well as first and second hyperpolarizability in the context of NLO. The findings of the study revealed that Gly-PDI, Imi-PDI, L-ala-PDI, and B-ala-PDI ligands displayed a higher NLO response compared with the other ligands. These results highlight the potential of these ligands for nonlinear optical applications. The comprehensive characterization and assessment of the NDI and PDI ligands contribute to a deeper understanding of their electron properties, positioning them as promising candidates for charge transfer and nonlinear optical materials.     

Determination of perfluoroalkyl carboxylic, sulfonic, and phosphonic acids in food

A sensitive and accurate method was developed and validated for simultaneous analysis of perfluoroalkyl carboxylic acids, sulfonic acids, and phosphonic acids (PFPAs) at low picograms per gram concentrations in a variety of food matrices. The method employed extraction with acetonitrile/water and cleanup on a mixed-mode co-polymeric sorbent (C8?+?quaternary amine) using solid-phase extraction. High-performance liquid chromatographic separation was achieved on a C18 column using a mobile phase gradient containing 5?mM 1-methyl piperidine for optimal chromatographic resolution of PFPAs. A quadrupole time-of-flight high-resolution mass spectrometer operating in negative ion mode was used as detector. Method detection limits were in the range of 0.002 to 0.02?ng?g^?1 for all analytes. Sample preparation (extraction and cleanup) recoveries at a spiking level of 0.1?ng?g^?1 to a baby food composite were in the range of 59 to 98?%. A strong matrix effect was observed in the analysis of PFPAs in food extracts, which was tentatively assigned to sorption of PFPAs to the injection vial in the solvent-based calibration standard. The method was successfully applied to a range of different food matrices including duplicate diet samples, vegetables, meat, and fish samples.

α-MoO3 nanowire-based amperometric biosensor for l-lactate detection

Large-scale orthorhombic single-crystalline molybdenum trioxide nanowires were synthesized using a facile one-pot hydrothermal method. Lactate oxidase enzyme was immobilized on the nanowires to produce a highly sensitive electrochemical biosensor for l-lactate detection. At an applied potential of 0.5 V, the sensor exhibited a high sensitivity of 0.87 μA/mM with a fast response to l-lactate (90% of response times within 10 s). A linear response was obtained over a concentration range from 0.5 to 8 mM with a detection limit of 0.15 mM (S/N?=?3). The developed biosensor showed excellent reproducibility and operational stability, as well as the ability to be stored long term.     

Random benzotrithiophene-based donor-acceptor copolymers for efficient organic photovoltaic devices

A series of benzotrithiophene-containing random terpolymers for polymer solar cells is reported. Through variations of the two other components in the terpolymers, the absorption profile and the frontier energy levels are optimized and maximum power conversion efficiencies are nearly doubled (5.14%) relative to the parent alternating copolymer.     

Synthesis of novel thieno[3,2-b]thienobis(silolothiophene) based low bandgap polymers for organic photovoltaics

Thieno[3,2-b]thienobis(silolothiophene), a new electron rich hexacyclic monomer has been synthesized and incorporated into three novel donor-acceptor low-bandgap polymers. By carefully choosing the acceptor co-monomer, the energy levels of the polymers could be modulated and high power conversion efficiencies of 5.52% were reached in OPV devices.     

Germaindacenodithiophene based low band gap polymers for organic solar cells

We report the first synthesis of a fused germaindacenodithiophene monomer and its polymerisation with 2,1,3-benzothiadiazole by Suzuki polycondensation. The resulting polymer, PGeTPTBT, is semicrystalline, despite the presence of four bulky 2-ethylhexyl groups. Blends with P(70)CBM afford solar cells with efficiencies of 5.02%.     

Anticancer properties and phenolic contents of sequentially prepared extracts from different parts of selected medicinal plants indigenous to Malaysia

Different parts of four edible medicinal plants (Casearia capitellata, Baccaurea motleyana, Phyllanthus pulcher and Strobilanthus crispus), indigenous to Malaysia, were extracted in different solvents, sequentially. The obtained 28 extracts were evaluated for their in vitro anticancer properties, using the MTS assay, on four human cancer cell lines: colon (HT-29), breast (MCF-7), prostate (DU-145) and lung (H460) cancers. The best anticancer activity was observed for the ethyl acetate (EA) extract of Casearia capitellata leaves on MCF-7 cell lines with IC?? 2.0 μg/mL and its methanolic (MeOH) extract showed an outstanding activity against lung cancer cell lines. Dichloromethane (DCM) extract of Phyllanthus pulcher aerial parts showed the highest anticancer activity against DU-145 cell lines, while significant activity was exhibited by DCM extract of Phyllanthus pulcher roots on colon cancer cell lines with IC50 value of 8.1 μg/mL. Total phenolic content (TPC) ranged over 1-40 mg gallic acid equivalents (GAE)/g. For all the samples, highest yields of phenolics were obtained for MeOH extracts. Among all the extracts analyzed, the MeOH extracts of Strobilanthus crispus leaves exhibited the highest TPC than other samples (p < 0.05). This study shows that the nature of phenol determines its anticaner activity and not the number of phenols present.