Structural features localizing the ferroptosis inhibitor GIF-2197-r to lysosomes.

We previously reported that ,-dimethylaniline derivatives are potent ferroptosis inhibitors. Among them, the novel aminoindan derivative GIF-2197-r (the racemate of GIF-2115 (R-form) and GIF-2196 (S-form)) is effective at a concentration of 0.01 μM due to its localization to lysosomes and ferrous ion coordination capacity.

Synthesis, structures and reactions of acylsulfenyl iodides with theoretical investigations.

A series of acylsulfenyl iodides (RCOSI) were synthesized by the reactions of carbothioic acid group 11-16 element derivatives with iodine or -iodosuccinimides in moderate to good yields. The structure of the PhCOSI was nearly square planar based on the X-ray analysis, where the C[double bond, length as m-dash]O⋯I distance (3.153(5) Å) was significantly shorter than the sum of the van der Waals radii of the atoms (Σ ), indicating close contact within the molecule.

Iridium-catalyzed α-selective deuteration of alcohols.

The development of chemoselective C(sp)-H deuteration is of particular interest in synthetic chemistry. We herein report the α-selective, iridium(iii)-bipyridonate-catalyzed hydrogen(H)/deuterium(D) isotope exchange of alcohols using deuterium oxide (DO) as the primary deuterium source. This method enables the direct, chemoselective deuteration of primary and secondary alcohols under basic or neutral conditions without being affected by coordinative functional groups such as imidazole and tetrazole.

5--Arylaminothiazoles with pyridyl groups and their first-row transition metal complexes: synthesis, photophysical properties, and Zn sensing.

A series of 5--arylaminothiazoles were synthesized with facile diversity-oriented synthesis from readily available starting materials the reaction of thioamide dianions and thioformamides. The introduction of various substituents at the 2-position of a thiazole ring (, 2-pyridyl, 4-methylpyridyl, and phenyl groups) and on the nitrogen atom (, -tolyl and phenyl groups) significantly influenced the absorption and emission spectra of the isolated compounds. X-ray analysis confirmed that the substituents at the amino site were twisted from a thiazole ring, while the formation of its nickel complex showed dinuclear metal complexes bridged with chlorine atoms.

Stereoselective Transesterification of P-Chirogenic Hydroxybinaphthyl Phosphinates.

The substitution reaction of phosphinates with a binaphthyloxy group at the phosphorus atom with lithium alkoxides proceeded with good to high efficiencies to give P-chirogenic phosphinates with a high enantiomeric ratio. As alcohols, primary, secondary, and tertiary alcohols could be used, and the use of tert-butyl alcohol yielded the products with a higher enantiomeric ratio. A substrate with two different alkyl groups on the phosphorus atom could also participate in the substitution reaction to give the corresponding products in good yields with excellent selectivity.

A novel five-gene score to predict complete pathological response to neoadjuvant chemotherapy in ER-positive/HER2-negative breast cancer.

Neoadjuvant Chemotherapy (NAC) is not frequently used in ER-positive/HER2-negative breast cancer (BC) because around 10% patients achieve pathological complete response (pCR). Since NAC can result in cancer downstaging both in the breast and axilla and prevent a morbid surgery, thus a score to predict pCR in this population will be crucial to identify patients who can benefit from this approach. A total of 4038 patients from cohorts; GSE25066, GSE20194, Hess, GSE20181, TCGA-BRCA and METBRIC were analyzed.

Stabilization of Bicontinuous Cubic Phase and Its Two-Sided Nature Produced by Use of Siloxane Tails and Introduction of Molecular Nonsymmetry.

A recent intriguing finding that a helical network arrangement forms the bicontinuous cubic phase is attracting great attention for the possibility of new routes to asymmetric synthesis by achiral molecules. However, the design of the molecular structure for the cubic phase is still unrevealed. In this work, a nonsymmetric core molecule with larger naphthalene and smaller benzene moieties at each side of the central linkage and the same disiloxanyldecyloxy terminal at both terminals is shown to be the first example of molecule forming both single-layered and double-layered core assembly modes in the Ia3d phase as a single molecule system.

Bottom-up synthesis of titanophosphate nanosheets by the aqueous solution process.

The synthesis of titanophosphate nanosheets in aqueous sols was examined by the bottom-up process. The nanosheets were formed by mixing titanium iso-propoxide, phosphoric acid, and tetraalkylammonium hydroxide (NROH) aqueous solutions, followed by diluting with water and heating at 80 °C, forming translucent aqueous sols of titanophosphate nanosheets with the same crystal structure as layered titanium phosphate TiO(HPO)·2HO. Whether the nanosheets were crystallized depended on the reactions during the mixing of reagents before the water dilution.

Nuclear quantum effect and H/D isotope effect on Cl· + (HO) → HCl + OH·(HO) ( = 1-3) reactions.

Cl· + (HO) → HCl + OH·(HO) ( = 1-3) reactions are fundamental and important ones in atmospheric chemistry. In this study, we focused on the nuclear quantum effect (NQE) of the hydrogen nucleus on these reactions with the aid of the multicomponent quantum mechanics (MC_QM) method, which can directly take account of NQE of light nuclei. Our study reveals that the NQE of the hydrogen nucleus lowers the activation barriers of the reactions and enhances the catalytic effects of second and third water molecules.

Reaction mechanism of hydrogen-tritium exchange reactions between several organic and HTO molecules: a role of the second HTO.

The mechanism of hydrogen-tritium (H-T) exchange reactions between several small organic and HTO molecules have been investigated using M06-2X/6-311++G(d,p) method. The second HTO molecule is taken into account for both direct and addition-elimination H-T exchange reactions. The reactivity of small organic molecules for H-T exchange reactions is in the order of CHCOOH > CHCHOH > CHCHO ≈ CHCOCH ≈ CH and CH > CH, CH, and CH.

Retinal Ganglion Cell Loss in X-linked Adrenoleukodystrophy with an Mutation (Gly266Arg).

The authors here report a single case of a 10-year-old male patient who presented with severe vision loss associated with progressive demyelination. The patient was diagnosed with X-linked childhood cerebral adrenoleukodystrophy (ALD). Genetic analysis demonstrated a missense mutation (Gly266Arg) in exon 1 of the gene.

Chlorophyll-a derivatives with various hydrocarbon ester groups for efficient dye-sensitized solar cells: static and ultrafast evaluations on electron injection and charge collection processes.

Five chlorophyll-a derivatives, chlorins-1-5 possessing C3(2)-carboxy and O17(4)-esterified hydrocarbon groups including methyl, hexyl, dodecyl, 2-butyloctyl, and cholesteryl were synthesized. Their performance as sensitizers in dye-sensitized solar cells (DSSCs) was compared. These sensitizers have similar surface coverage on the unit surface of TiO(2) film and their absorption spectra on transparent TiO(2) films were identical.

Population Structure of the Fusarium graminearum Species Complex from a Single Japanese Wheat Field Sampled in Two Consecutive Years.

The Fusarium graminearum species complex (Fg complex) that consists of at least 11 phylogenetically distinct species contains important Fusarium head blight (FHB) pathogens of wheat and barley worldwide. We obtained members of the Fg complex by sampling from a 500-m experimental wheat field in Kumamoto Prefecture, Japan in two consecutive years and assessed them for species identity and trichothecene chemotype. Haplotype diversity was estimated by using 11 variable numbers of tandem repeat (VNTR) markers.

Effect of natural organic matter on powdered activated carbon adsorption of trace contaminants: characteristics and mechanism of competitive adsorption.

Batch adsorption experiments using powdered activated carbon (PAC) to remove trace synthetic organic chemicals (SOCs) from water containing natural organic matter (NOM) were conducted. The percentage of SOC removed at any contact time and at any PAC dose was observed to be independent of the initial SOC concentration. Equations derived from the ideal adsorbed solution theory and the pore surface diffusion model validated this observation.