Influence of Ligand's Electronic Effect vs Temperature on Solvent Free Catalytic CO Fixation and Noncovalent Interactions in Molecular Architecture of Zn-Complexes.

A series of mononuclear bis-ligated Zn(II) octahedral complexes [Zn(L)] (Zn), [Zn(L)] (Zn), [Zn(L)] (Zn), and [Zn(L)] (Zn) have been synthesized using tridentate N/N/N donors, maleonitrile tethered, half-reduced Schiff base ligands, ((2-(benzylamino)-3-((E)-(pyridin-2-ylmethylene)amino)maleonitrile) derivatives, HL, HL, HL and HL). All the compounds were well characterized by spectroscopy and structurally. The noncovalent interactions present in the lattice of Zn-complexes were studied in detail to explain the origin of molecular architecture using Hirshfeld surface (HS) analysis.

Correction: Influence of pseudo-Jahn-Teller activity on the singlet-triplet gap of azaphenalenes.

Correction for 'Influence of pseudo-Jahn-Teller activity on the singlet-triplet gap of azaphenalenes' by Atreyee Majumdar , , 2024, , 26723-26733, https://doi.org/10.1039/D4CP02761B.

Unlocking inverted singlet-triplet gap in alternant hydrocarbons with heteroatoms.

Fifth-generation organic light-emitting diodes exhibit delayed fluorescence enabled by exothermic reverse intersystem crossing due to a negative singlet-triplet gap, where the first excited singlet lies below the triplet. This phenomenon, termed delayed fluorescence from inverted singlet and triplet states (DFIST), has been experimentally confirmed only in two triangular molecules with a central nitrogen atom. Here, we report a high-throughput virtual screening of 30 797 BN-substituted polycyclic aromatic hydrocarbons (BNPAH) derived from 77 parent scaffolds with 2-6 rings.

Ir(III)-Photocatalyzed Stereoselective Synthesis of 2-Azadienes.

A photocatalyzed, stereoselective C-N bond formation reaction was developed to synthesize 2-azadiene scaffolds containing trifluoromethyl groups under mild reaction conditions. This current methodology employs the multitasking photocatalysis of -Ir(ppy) to generate iminyl radicals from bench-stable oxime-ester precursors via an energy transfer (EnT) mechanism. This iminyl radical is installed in the olefinic system as an -linchpin without any prefunctionalization through a photoredox cycle.

Asymmetric Naphthalene Monoimide-Based Semiconducting Zn(II)-Supramolecular Metallohydrogel: A Multifunctional Material for Antibacterial and Optoelectronic Applications.

Herein, we demonstrate robust self-healing Zn(II)-induced metallohydrogel formation using an asymmetric naphthalene monoimide bearing a glycine unit (NMI-G). Detailed spectroscopic and microscopic studies revealed that directional metal ion coordination, along with orthogonal π-π stacking interactions, drives the anisotropic self-aggregation of the NMI-G/Zn complex, leading to the formation of ill-defined short-aspect-ratio nanofibers. The nanofibers are further clustered via hierarchical self-assembly, eventually producing flower-like flaky superstructures.

Influence of the Ligand's Electronic Effect on iClick Reaction of Ni(II)-Azido Complexes with Alkynes: Synthesis, Structure, Characterization, and Kinetic Studies.

The synthesis and characterization of two new square planer Ni(II)-azido complexes [Ni(N)(L)] of 1-N and 2-N using electronically varied N/S/O donor tridentate ligands (where HL: (E)-2-(((2-mercaptophenyl)imino)methyl)-6-methoxyphenol), HL : (E)-2,4-di-tert-butyl-6-(((2-mercaptophenyl)imino)methyl)phenol) were reported. Azido moiety in Ni-azido complexes was found as more dipolar than free azide ion. Six number of [3+2] cycloaddition coupling product of 1-N/2-N and three different alkynes were isolated and well characterized as [Ni(triazolate)(L)] (1 -T) complexes.

Unraveling the multifaceted role of extracellular DNA (eDNA) of biofilm in bacterial physiology, biofilm formation, and matrixome architecture.

Bacterial biofilms consist of bacterial communities embedded in a self-produced extracellular matrix (EM) known as the matrixome. The matrixome primarily comprises extracellular polymeric substances (EPS) and other elements. EPS encompassing exopolysaccharides, proteins, lipids, and nucleic acids plays a key role in maintaining structural integrity and is involved in various functions.

Cholesterol Affects the Pore Formation and the Membrane-Membrane Interaction Induced by an Antimicrobial Peptide, NK-2, in Phospholipid Vesicles.

Antimicrobial peptides are part of the innate immune response and show their antimicrobial activity by forming pores, followed by disintegration of the membrane. Cholesterol in the membrane can affect the pore formation process, as cholesterol is known to alter the permeability and elastic properties of the membrane. The present research systematically explores the role of cholesterol in modulating the interaction of the antimicrobial peptide NK-2 with phospholipid membranes, as well as the processes of pore formation induced by NK-2 within the membrane.

Pyruvate plus uridine augments mitochondrial respiration and prevents cardiac hypertrophy in zebrafish and H9c2 cells.

Dysfunction of mitochondrial pyruvate oxidation and aberrant respiratory chain components are common in cardiac defects. However, the precise role of mitochondrial respiration in cardiomyocyte hypertrophy is unclear. Phenylephrine (PE) treatment of rat neonatal H9c2 cardiomyocytes promotes significant hypertrophy with decreased mitochondrial oxygen consumption rate (OCR), membrane potential, respiratory subunit NDUFB8, UQCRC2 and ATP5A (ATP5F1A) expression, and accumulation of reactive oxygen species (ROS).

Exploring piezoelectric and piezophototronic properties of nanostructured LN-ZnSnS for photoresponsive vibrational energy harvesting.

Piezoelectric energy harvesters have for some time been an advanced choice for self-powered electronics. While oxide-based piezoelectric nanomaterials are well studied for their quality mechanical energy harvesting potential, recent interest in developing multifunctional nanomaterials for harvesting simultaneous ferroelectric/piezoelectric and light energy for photodetectors, photovoltaics and piezophototronics has impelled the search for newer semiconducting dipolar materials. In this respect, LiNbO type-ZnSnS (LN-ZTS) is predicted to have low optical band gap energy and to possess a considerably expanded hexagonal 3 lattice with high ferroelectricity.

Diversity of secondary metabolites from marine Streptomyces with potential anti-tubercular activity: a review.

The bacterial genus Streptomyces is known for the prolific production of secondary metabolites, which exhibit remarkable structural diversity and potent biological activities. Tuberculosis (TB) remains a formidable global health challenge exacerbated by the emergence of antimicrobial resistance (AMR), necessitating the discovery of novel therapeutic agents. The untapped potential of marine Streptomyces-derived secondary metabolites offers a promising avenue for screening anti-tubercular (anti-TB) compounds with unique chemical structures and potential bioactive properties.

Bacterial biomineralization of heavy metals and its influencing factors for metal bioremediation.

Increasing industrial pollution and certain hazardous agricultural practices have led to the discharge of heavy toxic metals into the environment. Among different bioremediation techniques, biomineralization is the synthesis of biomineral crystals extracellularly or intracellularly. Several bacteria, such as Bacillus cereus, Pseudomonas stutzeri, Bacillus subtilis, and Lactobacillus sphaericus have been found to induce heavy metal precipitation and mineralization for bioremediation.

Stress response proteins within biofilm matrixome protect the cell membrane against heavy metals-induced oxidative damage in a marine bacterium Bacillus stercoris GST-03.

Biofilm formation is a key adaptive response of marine bacteria towards stress conditions. The protective mechanisms of biofilm matrixome proteins against heavy metals (Pb and Cd) induced oxidative damage in the marine bacterium Bacillus stercoris GST-03 was investigated. Exposure to heavy metals resulted in significant changes in cell morphology, biofilm formation, and matrixome composition.

Exploitative stress within Bacillus subtilis biofilm determines the spatial distribution of pleomorphic cells.

Bacteria commonly live in a spatially organized biofilm assemblage. The metabolic activity inside the biofilm leads to segmented physiological microenvironments. In nature, bacteria possess several pleomorphic forms to withstand certain ecological alterations.

Cholesterol modulates the interaction of sodium salt with negatively charged phospholipid membrane.

We present a systematic study on how alkali metal salts, like NaCl and NaI, affect negatively charged phospholipid vesicles using a range of experimental methods. Our goal was to find out how chain saturation and cholesterol affect the interaction between the ions and the membrane. An isothermal titration calorimetry study on large unilamellar vesicles made from dimyristoyl phosphatidylcholine (DMPC) revealed that Na shows higher binding affinity to the gel phase at 15 °C compared to the fluid phase at 30 °C.

Cholesterol-driven modulation of membrane-membrane interactions by an antimicrobial peptide, NK-2, in phospholipid vesicles.

Antimicrobial peptides (AMPs) are essential components of the innate immune system, demonstrating their antimicrobial effects primarily through the creation of transmembrane pores that result in membrane disruption. Cholesterol within the membrane can significantly affect the interaction between AMPs and the membrane, as it is known to alter both the permeability and elastic properties of the membrane. In this study, we have investigated the influence of cholesterol on the interaction of the AMP, NK-2 with phospholipid vesicles.

Multifaceted response surface methodology unravels competitive heavy metal adsorption affinity of immobilized biosorbent formulated from bacterial extracellular polymer of Pseudomonas aeruginosa OMCS-1.

A multifaceted experimental design, including factorial design, Face-centered composite design (FCCD), and mixture design, was implemented to explore competitive interaction and adsorption behavior of chromium [Cr(VI)], lead [Pb(II)], and cadmium [Cd(II)] by the immobilized extracellular polymer (EPS) based biosorbent of Pseudomonas aeruginosa OMCS-1, in single and ternary metal solution. The prepared biosorbent preferentially adsorbed Cr (47.6 mg/g), Pb (46.

Influence of pseudo-Jahn-Teller activity on the singlet-triplet gap of azaphenalenes.

We analyze the possibility of symmetry-lowering induced by pseudo-Jahn-Teller interactions in six previously studied azaphenalenes that are known to have their first excited singlet state (S) lower in energy than the triplet state (T). The primary aim of this study is to explore whether Hund's rule violation is observed in these molecules when their structures are distorted from or point group symmetries by vibronic coupling. Along two interatomic distances connecting these point groups to their subgroups or , we relaxed the other internal degrees of freedom and calculated two-dimensional potential energy subsurfaces.

Fe(III)-catalyzed -selective C-H bond chalcogenation of phenols.

An efficient, eco-friendly, and scalable protocol has been introduced for the -selective C-X (X = Se/S) bond formation of phenols employing earth-abundant, less-toxic Fe(III)-catalysts and the green solvent ethanol without using any directing template, stabilizing ligands, oxidants, or additives. The key attraction lies in the impressive -selectivity with moderate to good yields, wide functional group compatibility under mild aerobic reaction conditions, and the synthetic modification of the products towards value-added molecules.

Switchable Bulk Photovoltaic Effect in Intrinsically Ferroelectric 3D All-Inorganic CsPbBr Perovskite Nanocrystals.

Ferroelectric all-inorganic halide perovskite nanocrystals with both spontaneous polarization and visible light absorption are promising candidates for designing ferroelectric photovoltaic applications. It remains a challenge to realize ferroelectric photovoltaic devices with all-inorganic halide perovskites that can be operated in the absence of an external electric field. Here we report that a popular all-inorganic halide perovskite nanocrystal, CsPbBr, exhibits a ferroelectricity-driven photovoltaic effect under visible light in the absence of an external electric field.

Deciphering the molecular interaction of extracellular polymeric substances of a marine bacterium Pseudomonas furukawaii PPS-19 with petroleum hydrocarbons and development of bioadsorbent.

Petroleum hydrocarbon contamination is a serious hazard to marine environments, affecting ecosystems and marine life. However, extracellular polymeric substances (EPS) of marine bacteria constituting various hydrophilic and hydrophobic functional groups sequester petroleum hydrocarbons (PHs). In this study, interaction of EPS of Pseudomonas furukawaii PPS-19 with PHs such as crude oil, n-dodecane, and pyrene and its impact on PHs adsorption was investigated.

Mitochondrial proteome analysis reveals that an augmented cytochrome c oxidase assembly and activity potentiates respiratory capacity in sarcoma.

Mitochondrial oxidative phosphorylation (OXPHOS) is an obligatory process in sarcoma. Despite that, the metabolic programming of sarcoma mitochondria is still unknown. To obtain a comprehensive metabolic insight of mitochondria, we developed a mouse fibrosarcoma model by injecting 3-methylcholanthrene and compared mitochondrial proteomes between sarcoma and its contralateral normal muscle using mass spectrometry.