An Unexpected Water Channel in the Light-Harvesting Complex of a Diatom: Implications for the Switch between Light Harvesting and Photoprotection.

Many important processes in cells depend on the transfer of protons through water wires embedded in transmembrane proteins. Herein, we have performed more than 55 μs all-atom simulations of the light-harvesting complex of a diatom, i.e.

The mitochondrial choline transporter, SLC25A48, regulates urine and blood choline levels in humans.

Choline is an essential nutrient for the biosynthesis of phospholipids and neurotransmitters and controls several physiological functions in mammals. It is metabolized in the organelles within cells, including mitochondria. However, its subcellular distribution and mode of mitochondrial transport remain poorly understood.

Targeting human arginyltransferase and post-translational protein arginylation: a pharmacophore-based multilayer screening and molecular dynamics approach to discover novel inhibitors with therapeutic promise.

Protein arginylation mediated by arginyltransferase 1 is a crucial regulator of cellular processes in eukaryotes by affecting protein stability, function, and interaction with other macromolecules. This enzyme and its targets are of immense interest for modulating cellular processes in diseased states like obesity and cancer. Despite being an important target molecule, no highly potent drug against this enzyme exists.

Photo-induced nitroxyl anion/HNO release from a nitrosyl complex of Mn(II)-porphyrinate.

A nitrosyl complex of Mn-porphyrinate, 1 has been synthesized and characterized. It was found to donate a nitroxyl anion (NO) to suitable acceptors in dichloromethane solution in the presence of visible light. The evolution of NO and the characteristic reaction with PPh in the presence of H confirms the NO/HNO donation.

Unveiling the Role Reversal of Guest and Host in OverTolerant Hybrid Perovskites.

The structural and electronic changes are investigated in a 3D hybrid perovskite, methylhydrazinium lead chloride (MHyPbCl) from a host/guest perspective as it transitions from a highly polar to less polar phase upon cooling, using first-principles calculations. The two phases vary structurally in the guest (MHy) orientation and the two differently distorted host (lead halide) layers. These findings highlight the critical role of guest reorientation in reducing host distortion at high temperatures, making the former the primary order parameter for the transition, a notable contrast to the case of other hybrid perovskites.

Development of a Phototriggered Diradical Phosphoamination Strategy of Alkenes.

Aminophosphonates serve as extremely important moieties with respect to their activities in biological systems. However, incorporating a Nitrogen and Phosphorus moiety by conventional techniques in ionic mode is usually associated with extensive prefunctionalization of the substrates, employing harsh conditions and reagents that limit the viability of these methods. Introducing both of these components as radicals may be a viable option.

HPO promoted reactions of thioamides with 2-substituted benzyl alcohols.

In this study, we have investigated the reactivity of thioamides with alcohols by utilizing HPO as a low-toxicity, cost-effective Brønsted acid catalyst. This report includes a methodology for the synthesis of thioesters from thioamides and 2-hydroxyaryl alcohols. Thioesters are emerging as a notable class of organic molecules due to their biological relevance, extensive use in drug discovery, and industrial applications.

Applications of Nanotechnology for Spatial Omics: Biological Structures and Functions at Nanoscale Resolution.

Spatial omics methods are extensions of traditional histological methods that can illuminate important biomedical mechanisms of physiology and disease by examining the distribution of biomolecules, including nucleic acids, proteins, lipids, and metabolites, at microscale resolution within tissues or individual cells. Since, for some applications, the desired resolution for spatial omics approaches the nanometer scale, classical tools have inherent limitations when applied to spatial omics analyses, and they can measure only a limited number of targets. Nanotechnology applications have been instrumental in overcoming these bottlenecks.

A comprehensive review of atomically precise metal nanoclusters with emergent photophysical properties towards diverse applications.

Atomically precise metal nanoclusters (MNCs) composed of a few to hundreds of metal atoms represent an emerging class of nanomaterials with a precise composition. With the size approaching the Fermi wavelength of electrons, their energy levels are well-separated, leading to molecule-like properties, like discrete single electronic transitions, tunable photoluminescence (PL), inherent structural anisotropy, and distinct redox behavior. Extensive synthetic efforts and electronic structure revelation have expanded applicability of MNCs in catalysis, optoelectronics, and biology.

An Alkyne-Containing Isoprenoid Analogue Based on a Farnesyl Diphosphate Scaffold Is a Biologically Functional Universal Probe for Proteomic Analysis.

Prenylation consists of the modification of proteins with either farnesyl diphosphate (FPP) or geranylgeranyl diphosphate (GGPP) at a cysteine near the C-terminus of target proteins to generate thioether-linked lipidated proteins. In recent work, metabolic labeling with alkyne-containing isoprenoid analogues including C15AlkOPP has been used to identify prenylated proteins and track their levels in different diseases. Here, a systematic study of the impact of isoprenoid length on proteins labeled with these probes was performed.

Regioselective Ring Opening of Aziridines by Oximes via C-C Bond Cleavage: Access to a Library of Oxime-Ethers.

A series of sulfonamido-substituted oxime-ethers have been synthesized by the reaction of donor-acceptor aziridines with aldo- and keto-oximes through C-C bond cleavage. Nucleophilic attack by an oxime hydroxyl group on the -generated azomethine ylide rather than the routine cycloaddition reaction draws the novelty of the developed methodology. Selective protection of the oxime hydroxyl group is observed in the presence of phenolic -OH, which made the protocol enriched.

Composition of carbohydrate, protein and lipid derived from microalgae using thermally pretreated solid waste.

Microalgae are widely recognized for their capacity to generate value-added products in a variety of sectors, including the pharmaceutical and food industries, bioenergy industries and wastewater industries. The quality of a microalga is significantly influenced by its proliferation. Along with growth, the biochemical profile may also vary based on the nutrient that is supplemented.

Local delivery of soluble fractalkine (CX3CL1) peptide restores ribbon synapses after noise-induced cochlear synaptopathy.

Cochlear ribbon synapses between sensory inner hair cells (IHCs) and spiral ganglion neurons (SGNs) are vulnerable to rapid and primary damage and/or loss due to noise overexposure. Such damaged ribbon synapses can repair spontaneously in mouse and guinea pig. However, the mechanisms for synaptic repair are unclear.

Bottom-Up Porous Graphene Synthesis and its Applications.

Incorporation of regular order pores/holes/defects into semimetalic graphene sheets can tune the band gap up to 1 eV or more introducing semiconducting property and therefore exhibiting promising applications for organic electronics such as field-effect transistors (FETs), molecular sieve membranes, gas sensing, catalysis devices, etc. In this mini review, we focused on bottom-up approaches to introduce periodic homogeneous pores into graphene and nanographene and graphene nanoribbons along with their characteristics and potential applications in various fields.

Immunomodulation of Macrophages in Diabetic Wound Individuals by Structurally Diverse Bioactive Phytochemicals.

Diabetes-related ulcers and slow-healing wounds pose a significant health risk to individuals due to their uncertain causes. Mortality rates for diabetes foot ulcers (DFUs) range from 10% after 16 months to 24% after five years. The use of bioactive phytochemicals can play a key role in healing wounds in a predictable time.

The Large GTPase Guanylate-Binding Protein-1 (GBP-1) Promotes Mitochondrial Fission in Glioblastoma.

Glioblastomas (aka Glioblastoma multiformes (GBMs)) are the most deadly of the adult brain tumors. Even with aggressive treatment, the prognosis is extremely poor. The large GTPase Guanylate-Binding Protein-1 (GBP-1) contributes to the poor prognosis of GBM by promoting migration and invasion.

Making Work for Fishing Cat Conservation: A Blueprint for Connecting Populations across an Interactive Wild Ex Situ Spectrum.

The One Plan Approach advocates for a hybrid species management framework, wherein captive-bred populations are considered metapopulations nested within a broader network of zoos and wild populations Additionally, the Opportunities to Thrive framework aims to enhance animal welfare by addressing the physiological, psychological, and emotional needs of captive individuals, thereby improving conservation outcomes. Here, we present an integrated framework for the conservation of a globally threatened wetland wild cat species, the fishing cat, by synthesizing optimal ex situ management practices and in situ conservation strategies. Further, we examined the genetic constitution of the founder population in a fishing cat captive breeding program that was recently initiated by the West Bengal Zoo Authority, India and conducted a population viability analysis to suggest how best to maintain the genetic diversity of the population.

Comparative Bindings of Glycosaminoglycans with CXCL8 Monomer and Dimer: Insights from Conformational Dynamics and Kinetics of Hydrogen Bonds.

GAGs bind to both the monomeric and dimeric forms of CXCL8, helping to form a concentration gradient of the chemokine that facilitates the recruitment of neutrophils to an injury site and supports other biological functions. In this study, atomistic molecular dynamics simulations were conducted to investigate the binding behavior of two hexameric GAGs sulfated at two different positions, chondroitin sulfate (CS) and heparan sulfate (HS), with the monomer (SIL8) and dimer (DIL8) forms of the CXCL8 protein. The results support that the conformational diversity of CS and HS appeared to be more when binding with monomer SIL8 than dimer DIL8.

Laser Spectroscopic Characterization of Supersonic Jet-Cooled 2,6-Diazaindole (26DAI).

The article presents a comprehensive laser spectroscopic characterization of a nitrogen-rich indole derivative, namely, 2,6-diazaindole (26DAI), in the gas phase. A supersonic jet-cooled molecular beam of 26DAI was characterized using two-color resonant two-photon ionization (2C-R2PI) and laser-induced fluorescence spectroscopy (LIF) to investigate the electronic excitation. The S ← S origin transition was obtained at 33915 cm, which was red-shifted from that of one (indole) and two (7-azaindole) nitrogen-containing indole derivatives by 1317 and 713 cm, respectively.