RGB tri-luminescence in organic-inorganic zirconium halide perovskites.

Materials with two or more fluorescence features under different excitation sources have great potential in optical applications, but luminous materials with three emission characteristics have been largely undeveloped. Here, we report a novel zero-dimensional (0D) organic-inorganic hybrid ((CH)N)ZrCl perovskite with multiple emissions. The zirconium-based perovskite exhibits a red emission around 620 nm, a green emission at 527 nm, and a blue emission around 500 nm.

detection of reactive oxygen species spontaneously generated on lead acid battery anodes: a pathway for degradation and self-discharge at open circuit.

Prospects for refurbishing and recycling energy storage technologies such as lead acid batteries (LABs) prompt a better understanding of their failure mechanisms. LABs suffer from a high self-discharge rate accompanied by deleterious hard sulfation processes which dramatically decrease cyclability. Furthermore, the evolution of H, CO, and CO also poses safety risks.

Sequence controlled secondary structure is important for the site-selectivity of lanthipeptide cyclization.

Lanthipeptides are ribosomally synthesized and post-translationally modified peptides that are generated from precursor peptides through a dehydration and cyclization process. ProcM, a class II lanthipeptide synthetase, demonstrates high substrate tolerance. It is enigmatic that a single enzyme can catalyze the cyclization process of many substrates with high fidelity.

Decarboxylative ring-opening of 2-oxazolidinones: a facile and modular synthesis of β-chalcogen amines.

We report herein the synthesis of primary and secondary β-chalcogen amines through the regioselective ring-opening reaction of non-activated 2-oxazolidinones promoted by generated chalcogenolate anions. The developed one-step protocol enabled the preparation of β-selenoamines, β-telluroamines and β-thioamines with appreciable structural diversity and in yields of up to 95%.

Extending BigSMILES to non-covalent bonds in supramolecular polymer assemblies.

As a machine-recognizable representation of polymer connectivity, BigSMILES line notation extends SMILES from deterministic to stochastic structures. The same framework that allows BigSMILES to accommodate stochastic covalent connectivity can be extended to non-covalent bonds, enhancing its value for polymers, supramolecular materials, and colloidal chemistry. Non-covalent bonds are captured through the inclusion of annotations to pseudo atoms serving as complementary binding pairs, minimal key/value pairs to elaborate other relevant attributes, and indexes to specify the pairing among potential donors and acceptors or bond delocalization.

Evolution of 3-(4-hydroxyphenyl)indoline-2-one as a scaffold for potent and selective anticancer activity.

Development of targeted anticancer modalities has prompted a new era in cancer treatment that is notably different from the age of radical surgery and highly toxic chemotherapy. Behind each effective compound is a rich and complex history from first identification of chemical matter, detailed optimization, and mechanistic investigations, ultimately leading to exciting molecules for drug development. Herein we review the history and on-going journey of one such anticancer scaffold, the 3-(4-hydroxyphenyl)indoline-2-ones.

Tuning the mechanical properties of functionally graded nickel and aluminium alloy at the nanoscale.

In this article, Molecular Dynamics (MD) simulation is used to investigate the tensile mechanical properties of functional graded Ni-Al (NiAl) alloy with Ni coating. The grading profile, temperature, crystallographic direction, and concentration of vacancy defects have been varied and corresponding changes in the tensile properties are reported. In general, it has been revealed that functional grading may reduce the ultimate tensile strength (UTS) of this homogeneous alloy but increase Young's modulus (YM).

Extended-ensemble docking to probe dynamic variation of ligand binding sites during large-scale structural changes of proteins.

Proteins can sample a broad landscape as they undergo conformational transition between different functional states. At the same time, as key players in almost all cellular processes, proteins are important drug targets. Considering the different conformational states of a protein is therefore central for a successful drug-design strategy.

Inhibition of [FeFe]-hydrogenase by formaldehyde: proposed mechanism and reactivity of FeFe alkyl complexes.

The mechanism for inhibition of [FeFe]-hydrogenases by formaldehyde is examined with model complexes. Key findings: (i) CH donated by formaldehyde covalently link Fe and the amine cofactor, blocking the active site and (ii) the resulting Fe-alkyl is a versatile electrophilic alkylating agent. Solutions of Fe[(μ-SCH)NH](CO)(PMe) (1) react with a mixture of HBF and CHO to give three isomers of [Fe[(μ-SCH)NCH](CO)(PMe)] ([2]).

Rationalizing the generation of broad spectrum antibiotics with the addition of a positive charge.

Antibiotic resistance of Gram-negative bacteria is largely attributed to the low permeability of their outer membrane (OM). Recently, we disclosed the eNTRy rules, a key lesson of which is that the introduction of a primary amine enhances OM permeation in certain contexts. To understand the molecular basis for this finding, we perform an extensive set of molecular dynamics (MD) simulations and free energy calculations comparing the permeation of aminated and amine-free antibiotic derivatives through the most abundant OM porin of , OmpF.

Ultrasensitive Detection of Dopamine, IL-6 and SARS-CoV-2 Proteins on Crumpled Graphene FET Biosensor.

Universal platforms for biomolecular analysis using label-free sensing modalities can address important diagnostic challenges. Electrical field effect-sensors are an important class of devices that can enable point-of-care sensing by probing the charge in the biological entities. Use of crumpled graphene for this application is especially promising.

Fluorescent proteins of the EosFP clade: intriguing marker tools with multiple photoactivation modes for advanced microscopy.

Optical fluorescence microscopy has taken center stage in the exploration of biological structure and dynamics, especially on live specimens, and super-resolution imaging methods continue to deliver exciting new insights into the molecular foundations of life. Progress in the field, however, crucially hinges on advances in fluorescent marker technology. Among these, fluorescent proteins (FPs) of the GFP family are advantageous because they are genetically encodable, so that live cells, tissues or organisms can produce these markers all by themselves.

Chromatin hierarchical branching visualized at the nanoscale by electron microscopy.

Chromatin is spatially organized in a hierarchical manner by virtue of single nucleosomes condensing into higher order chromatin structures, conferring various mechanical properties and biochemical signals. These higher order chromatin structures regulate genomic function by organization of the heterochromatin and euchromatin landscape. Less is known about its transition state from higher order heterochromatin to the lower order nucleosome form, and there is no information on its physical properties.

Comment on "Thermal effects - an alternative mechanism for plasmon-assisted photocatalysis" by Y. Dubi, I. W. Un and Y. Sivan, , 2020, , 5017.

A range of chemical reactions occurring on the surfaces of metal nanoparticles exhibit enhanced rates under plasmonic excitation. It is not straightforward to distinguish between photochemical and photothermal effect using Arrhenius fitting of the reaction rates alone.

Active participation of membrane lipids in inhibition of multidrug transporter P-glycoprotein.

P-glycoprotein (Pgp) is a major efflux pump in humans, overexpressed in a variety of cancers and associated with the development of multi-drug resistance. Allosteric modulation by various ligands (, transport substrates, inhibitors, and ATP) has been biochemically shown to directly influence structural dynamics, and thereby, the function of Pgp. However, the molecular details of such effects, particularly with respect to the role and involvement of the surrounding lipids, are not well established.

Quasi-Newtonian Environmental Scanning Electron Microscopy (QN-ESEM) for Monitoring Material Dynamics in High-Pressure Gaseous Environments.

Environmental scanning electron microscopy (ESEM) is a powerful technique that enables imaging of diverse specimens (e.g., biomaterials, chemical materials, nanomaterials) in a hydrated or native state while simultaneously maintaining micro-to-nanoscale resolution.

Cellulose II Aerogel-Based Triboelectric Nanogenerator.

Cellulose-based triboelectric nanogenerators (TENGs) have gained increasing attention. In this study, a novel method is demonstrated to synthesize cellulose-based aerogels and such aerogels are used to fabricate TENGs that can serve as mechanical energy harvesters and self-powered sensors. The cellulose II aerogel is fabricated via a dissolution-regeneration process in a green inorganic molten salt hydrate solvent (lithium bromide trihydrate), where.

Interfacial Force-Focusing Effect in Mechanophore-Linked Nanocomposites.

Enhanced force transmission to mechanophores is demonstrated in polymer nanocomposite materials. Spiropyran (SP) mechanophores that change color and fluorescence under mechanical stimuli are functionalized at the interface between SiO nanoparticles and polymers. Successful mechanical activation of SP at the interface is confirmed in both solution and solid states.

Independent control over size, valence, and elemental composition in the synthesis of DNA-nanoparticle conjugates.

DNA-nanoparticle conjugates have found widespread use in sensing, imaging, and as components of devices. However, their synthesis remains relatively complicated and empirically based, often requiring specialized protocols for conjugates of different size, valence, and elemental composition. Here we report a novel, bottom-up approach for the synthesis of DNA-nanoparticle conjugates, based on ring-opening metathesis polymerization (ROMP), intramolecular crosslinking, and template synthesis.

A photo-regulated aptamer sensor for spatiotemporally controlled monitoring of ATP in the mitochondria of living cells.

Fluorescent aptamer sensors have shown enormous potential for intracellular imaging of small molecule metabolites. Since metabolites distribute differently at different subcellular locations and their concentrations and locations fluctuate with time, methods are needed for spatiotemporally controlled monitoring of these metabolites. Built upon previous success in temporal control of aptamer-based sensors, we herein report an aptamer sensor containing a photocleavable linker and using DQAsomes to target mitochondria for spatiotemporally controlled monitoring of ATP in the mitochondria of living cells.

Definition of a Family of Nonmobile Colistin Resistance (NMCR-1) Determinants Suggests Aquatic Reservoirs for MCR-4.

Polymyxins, a family of cationic antimicrobial peptides, are recognized as a last-resort clinical option used in the treatment of lethal infections with carbapenem-resistant pathogens. A growing body of mobile colistin resistance (MCR) determinants renders colistin ineffective in the clinical and human sectors, posing a challenge to human health and food security. However, the origin and reservoir of the MCR family enzymes is poorly understood.

A Genomic, Evolutionary, and Mechanistic Study of MCR-5 Action Suggests Functional Unification across the MCR Family of Colistin Resistance.

A growing number of mobile colistin resistance (MCR) proteins is threatening the renewed interest of colistin as a "last-resort" defense against carbapenem-resistant pathogens. Here, the comparative genomics of a large plasmid harboring from and the structural/functional perspectives of MCR-5 action are reported. Whole genome sequencing has identified the loss of certain parts of the Tn-type transposon typically associated with , providing a clue toward its mobilization.