All Outputs (1488)

Photosensitized selective semi-oxidation of tetrahydroisoquinoline: a singlet oxygen path (2022)
Journal Article

Selective semi-oxidation of tetrahydroisoquinoline (THIQ) leads to a valuable dihydroisoquinoline (DHIQ) derivative via singlet oxygen photooxidation process. Typical photosensitisers (i.e., Ru complexes) can activate the reaction even under heteroge... Read More about Photosensitized selective semi-oxidation of tetrahydroisoquinoline: a singlet oxygen path.

Inherent Spin–Polarization Coupling in a Magnetoelectric Vortex (2022)
Journal Article

Solid-state materials are currently being explored as a platform for the manipulation of spins for spintronics and quantum information science. More broadly, a wide spectrum of ferroelectric materials, spanning from inorganic oxides to polymeric syst... Read More about Inherent Spin–Polarization Coupling in a Magnetoelectric Vortex.

Oxidative cleavage of polysaccharides by a termite-derived superoxide dismutase boosts the degradation of biomass by glycoside hydrolases (2022)
Journal Article

Wood-feeding termites effectively degrade plant biomass through enzymatic degradation. Despite their high efficiencies, however, individual glycoside hydrolases isolated from termites and their symbionts exhibit anomalously low effectiveness in ligno... Read More about Oxidative cleavage of polysaccharides by a termite-derived superoxide dismutase boosts the degradation of biomass by glycoside hydrolases.

Quantum Chemical Characterization and Design of Quantum Dots for Sensing Applications (2022)
Journal Article

The ability to tune the optoelectronic properties of quantum dots (QDs) makes them ideally suited for the use as fluorescence sensing probes. The vast structural diversity in terms of the composition and size of QDs can make designing a QD for a spec... Read More about Quantum Chemical Characterization and Design of Quantum Dots for Sensing Applications.

Low-Temperature Sintering of l-Alanine-Functionalized Metallic Copper Particles Affording Conductive Films with Excellent Oxidative Stability (2022)
Journal Article

Here, the alpha amino acid l-alanine is employed as both a capping and stabilizing agent in the aqueous synthesis of submicron-sized metallic copper particles under ambient atmospheric conditions. The reduction of the copper(II) precursor is achieved... Read More about Low-Temperature Sintering of l-Alanine-Functionalized Metallic Copper Particles Affording Conductive Films with Excellent Oxidative Stability.

Docking rings in a solid: reversible assembling of pseudorotaxanes inside a zirconium metal–organic framework (2022)
Journal Article

An unprecedented zirconium metal–organic framework featuring a T-shaped benzimidazole strut was constructed and employed as a sponge-like material for selective absorption of macrocyclic guests. The neutral benzimidazole domain of the as-synthesized... Read More about Docking rings in a solid: reversible assembling of pseudorotaxanes inside a zirconium metal–organic framework.

Revealing the exotic structure of molecules in strong magnetic fields (2022)
Journal Article

A novel implementation for the calculation of molecular gradients under strong magnetic fields is employed at the current-density functional theory level to optimize the geometries of molecular structures, which change significantly under these condi... Read More about Revealing the exotic structure of molecules in strong magnetic fields.

Order, disorder, and metalation of tetraphenylporphyrin (2H-TPP) on Au(111) (2022)
Journal Article

A thermally induced order–disorder transition of tetraphenylporphyrin (2H-TPP) on Au(111) is characterised by scanning probe microscopy and X-ray photoelectron spectroscopy-based techniques. We observed that a transition from an ordered close-packed... Read More about Order, disorder, and metalation of tetraphenylporphyrin (2H-TPP) on Au(111).

Passerini chemistries for synthesis of polymer pro-drug and polymersome drug delivery nanoparticles (2022)
Journal Article

New materials chemistries are urgently needed to overcome the limitations of existing biomedical materials in terms of preparation, functionality and versatility, and also in regards to their compatibility with biological environments. Here, we show... Read More about Passerini chemistries for synthesis of polymer pro-drug and polymersome drug delivery nanoparticles.

Hydrogen Atom Transfer Driven Enantioselective Minisci Reaction of Alcohols (2022)
Journal Article

Catalytic enantioselective Minisci reactions have recently been developed but all instances so far utilize α-amino radical coupling partners. We report a substantial evolution of the enantioselective Minisci reaction that enables α-hydroxy radicals t... Read More about Hydrogen Atom Transfer Driven Enantioselective Minisci Reaction of Alcohols.

Pyruvate kinase, a metabolic sensor powering glycolysis, drives the metabolic control of DNA replication (2022)
Journal Article

Background: In all living organisms,DNA replication is exquisitely regulated in a wide range of growth conditions to achieve timely and accurate genome duplication prior to cell division. Failures in this regulation cause DNA damage with potentially... Read More about Pyruvate kinase, a metabolic sensor powering glycolysis, drives the metabolic control of DNA replication.

Calcium coordination compounds of anionic forms of hydrogen dipicolinate and quinolinate: synthesis, characterization, crystal structures and DFT studies (2022)
Journal Article

Two calcium coordination compounds [Ca(2,6-Hpdc)2(H2O)2] 1 and [Ca2(2,3-pdc)2(H2O)6]n2 (where 2,6-H2pdc = 2,6-pyridinedicarboxylic acid and 2,3-H2pdc = 2,3-pyridinedicarboxylic acid) were grown at room temperature. The compounds were characterized us... Read More about Calcium coordination compounds of anionic forms of hydrogen dipicolinate and quinolinate: synthesis, characterization, crystal structures and DFT studies.

Designing stable binary endohedral fullerene lattices (2022)
Journal Article

Nanoparticle lattices and endohedral fullerenes have both been identified as potential building blocks for future electronic, magnetic and optical devices; here it is proposed that it could be possible to combine those concepts and design stable nano... Read More about Designing stable binary endohedral fullerene lattices.

Synthesis, characterisation and evaluation of hyperbranched N-(2-hydroxypropyl) methacrylamides for transport and delivery in pancreatic cell lines in vitro and in vivo (2022)
Journal Article

Hyperbranched polymers have many promising features for drug delivery, owing to their ease of synthesis, multiple functional group content, and potential for high drug loading with retention of solubility. Here we prepared hyperbranched N-(2-hydroxyp... Read More about Synthesis, characterisation and evaluation of hyperbranched N-(2-hydroxypropyl) methacrylamides for transport and delivery in pancreatic cell lines in vitro and in vivo.

Exploiting the tuneable density of scCO2 to improve particle size control for dispersion polymerisations in the presence of poly(dimethyl siloxane) stabilisers (2022)
Journal Article

The dispersion polymerisation of methyl methacrylate (MMA) is a widely employed method for producing discrete, spherical PMMA particles from traditional solvents, which cover a broad particle size range. With environmental impact becoming an ever mor... Read More about Exploiting the tuneable density of scCO2 to improve particle size control for dispersion polymerisations in the presence of poly(dimethyl siloxane) stabilisers.

Software tools for green and sustainable chemistry (2022)
Journal Article

In this review, we consider green chemistry metrics, related software tools, and the opportunities and challenges for their use in research laboratories. We provide an overview of state-of-the-art software designed both to aid researchers in planning... Read More about Software tools for green and sustainable chemistry.

Extending conceptual DFT to include external variables: the influence of magnetic fields (2022)
Journal Article

An extension of conceptual DFT to include the influence of an external magnetic field is proposed in the context of a program set up to cope with the ever increasing variability of reaction conditions and concomitant reactivity. The two simplest glob... Read More about Extending conceptual DFT to include external variables: the influence of magnetic fields.

The Conceptual Development of a Conjunctive Olefination (2022)
Journal Article

We recently discovered a functional group tolerant and transition-metal-free conjunctive olefination reaction with applications in late-stage functionalization chemistry. In this Synpacts contribution, we analyze the conceptual background that has st... Read More about The Conceptual Development of a Conjunctive Olefination.

Nucleophilic Fluorination Catalyzed by a Cyclometallated Rhodium Complex (2022)
Journal Article

Quantitative catalytic nucleophilic fluorination of a range of acyl chlorides to acyl fluorides was promoted by a cyclometallated rhodium complex [(η5,κ2C-C5Me4CH2C6F5CH2NC3H2NMe)- RhCl] (1). 1 can be prepared in high yields from commercially availab... Read More about Nucleophilic Fluorination Catalyzed by a Cyclometallated Rhodium Complex.

Computational investigation of aphid odorant receptor structure and binding function (2022)
Journal Article

Odorant receptors (OR) play a critical role in signal transduction and olfactory recognition in insects. Unfortunately, insect ORs are difficult to express and purify, and limited structural data are available. Computational methods were used to pred... Read More about Computational investigation of aphid odorant receptor structure and binding function.