Organic chemistry
View article: Effect of Digoxin on clusters of circulating tumor cells in patients with metastatic breast cancer: a phase 1 trial
Effect of Digoxin on clusters of circulating tumor cells in patients with metastatic breast cancer: a phase 1 trial Open
This repository contains processed transcriptomics data, large data sets and additional files required to reproduce the code available at the repository https://github.com/TheAcetoLab/dicct-trial
View article: Effect of Digoxin on clusters of circulating tumor cells in patients with metastatic breast cancer: a phase 1 trial
Effect of Digoxin on clusters of circulating tumor cells in patients with metastatic breast cancer: a phase 1 trial Open
<p>This repository contains processed transcriptomics data, large data sets and additional files required to reproduce the code available at the repository https://github.com/TheAcetoLab/dicct-trial</p>
View article: Ab initio data to generates machine-learned force fields of ions in aqueous medium in VASP format.
Ab initio data to generates machine-learned force fields of ions in aqueous medium in VASP format. Open
ML_AB_H: Datasets of 64 water molecules and a single proton with 64 water molecules. ML_AB_VP2: Datasets of a single V^2+ ion with 64 water molecules. ML_AB_VP3: Datasets of a single V^3+ ion with 64 water molecules. ML_AB_FeP2: Datasets o…
View article: Hypoxia-induced PYCR1 regulates glycolysis and histone lactylation to promote bladder cancer progression and metastasis via SLC6A14/Glutamine metabolism.
Hypoxia-induced PYCR1 regulates glycolysis and histone lactylation to promote bladder cancer progression and metastasis via SLC6A14/Glutamine metabolism. Open
Hypoxia-induced Pyrroline-5-Carboxylate Reductase 1 (PYCR1) is implicated in bladder cancer (BC), but its specific role remains elusive. This study investigated how PYCR1 promotes BC progression through glycolysis, histone H3 Lysine 18 Lac…
View article: Virtual screening, molecular docking, and molecular dynamics simulation reveal new insights into RNA polymerase inhibition for anti-tuberculosis drug discovery.
Virtual screening, molecular docking, and molecular dynamics simulation reveal new insights into RNA polymerase inhibition for anti-tuberculosis drug discovery. Open
This study highlights the effectiveness of combining virtual screening, molecular docking, MD simulations, and MM-PBSA analysis in identifying promising RNAP inhibitors. The results establish a strong foundation for further experimental va…
View article: Effective Acetylation of Hydroxyl Compound with RuIII(OTf)2 Salen Modified SiO2–Fe3O4 Magnetically Recycling Catalyst
Effective Acetylation of Hydroxyl Compound with RuIII(OTf)2 Salen Modified SiO2–Fe3O4 Magnetically Recycling Catalyst Open
This study presents the successful synthesis of Ru(OTf)2 on amino-functionalized Schiff base SiO2@Fe3O4, which serves as a rapid and effective catalyst for the acetylation of primary alcohols. Notably, the catalyst demonstrates selectivity…
View article: High F-Value Oligopeptides from Zanthoxylum bungeanum Seeds: Preparation Optimization and in Silico Screening of Xanthine Oxidase Inhibitory
High F-Value Oligopeptides from Zanthoxylum bungeanum Seeds: Preparation Optimization and in Silico Screening of Xanthine Oxidase Inhibitory Open
In this study, the optimal preparation conditions for high F-value oligopeptides from Zanthoxylum bungeanum seeds and xanthine oxidase (XOD) inhibitory were investigated. Based on the efficient enzymatic hydrolysis of Zanthoxylum bungeanum…
View article: Manganese (III) Schiff basic and its catalytic activity in the oxidation of alkanes
Manganese (III) Schiff basic and its catalytic activity in the oxidation of alkanes Open
It was successfully possible to synthesis the manganese (III) complex [Mn(salen) (H₂O)₂] Cl, where salen is the tetrachloro[N,N'-di(3,5-dichlorosalicylidene)-1,2-diaminoethane]. Mass spectrometry (MS), elemental analysis (CHN), FTIR, and U…
View article: Synthesis and study of different-ligand chelates
Synthesis and study of different-ligand chelates Open
Synthesis conditions have been established and different-ligand chelates have been synthesized with a general formula: [MArg]Hl·nH2O, where M are bivalent metal ions M = Mn, Zn, Fe, Arg – amino acid arginine, Hl– citric acid bivalent anion…
View article: Manganese (III) Schiff basic and its catalytic activity in the oxidation of alkanes
Manganese (III) Schiff basic and its catalytic activity in the oxidation of alkanes Open
It was successfully possible to synthesis the manganese (III) complex [Mn(salen) (H₂O)₂] Cl, where salen is the tetrachloro[N,N'-di(3,5-dichlorosalicylidene)-1,2-diaminoethane]. Mass spectrometry (MS), elemental analysis (CHN), FTIR, and U…
View article: Reactions of U(DMSO)8(ClO4)4 with Terpyridine Yield Dimeric Hydrolysis Products and Induce C-C Coupling: Dataset
Reactions of U(DMSO)8(ClO4)4 with Terpyridine Yield Dimeric Hydrolysis Products and Induce C-C Coupling: Dataset Open
This dataset collects the inputs and outputs of the calculations (Gaussian, ADF, NBO, QTAIM) discussed in the paper entitled "Reactions of U(DMSO)8(ClO4)4 with Terpyridine Yield Dimeric Hydrolysis Products and Induce C-C Coupling" by Emily…
View article: Syntheses, Complexation and Biological Activity of Aminoquinoline: A Mini-Review
Syntheses, Complexation and Biological Activity of Aminoquinoline: A Mini-Review Open
Aminoquinolines represent a prominent category of heterocyclic compounds that have been the focus of extensive research in recent decades due to their diverse and significant biological activities.These compounds are isomeric, distinguishe…
View article: High Efficiency Palladium Nanoparticles Synthesized on Volcanic Ash for Hydrolytic Dehydrogenation of Sodium Borohydride
High Efficiency Palladium Nanoparticles Synthesized on Volcanic Ash for Hydrolytic Dehydrogenation of Sodium Borohydride Open
A large portion of the world's energy consumption is provided by fossil fuel sources. However, these fossil fuel resources are heading towards depletion and causing serious health problems to the environment. Accessing renewable environmen…
View article: Syntheses, Complexation and Biological Activity of Aminoquinoline: A Mini-Review
Syntheses, Complexation and Biological Activity of Aminoquinoline: A Mini-Review Open
Aminoquinolines represent a prominent category of heterocyclic compounds that have been the focus of extensive research in recent decades due to their diverse and significant biological activities.These compounds are isomeric, distinguishe…
View article: Reactions of U(DMSO)8(ClO4)4 with Terpyridine Yield Dimeric Hydrolysis Products and Induce C-C Coupling: Dataset
Reactions of U(DMSO)8(ClO4)4 with Terpyridine Yield Dimeric Hydrolysis Products and Induce C-C Coupling: Dataset Open
This dataset collects the inputs and outputs of the calculations (Gaussian, ADF, NBO, QTAIM) discussed in the paper entitled "Reactions of U(DMSO)8(ClO4)4 with Terpyridine Yield Dimeric Hydrolysis Products and Induce C-C Coupling" by Emily…
View article: Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts
Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts Open
Supported Cr(II) and Cr(III) catalysts have emerged as versatile systems for the selective oligomerization of ethylene, offering advantages such as easy separation, catalyst recyclability, and reduced polymer formation. However, their perf…
View article: Modification, analysis and properties of Piper nigrum polysaccharide
Modification, analysis and properties of Piper nigrum polysaccharide Open
Currently, researchers have not yet found the antioxidant activity and structure of Piper nigrum L. polysaccharides (PNLP) and their modified derivatives. PNLP possesses advantages such as simple and stable structure, ease of separation an…
View article: Application of Natural Amino Acid Anionic Surfactants
Application of Natural Amino Acid Anionic Surfactants Open
Global sensitive skin care demand has grown rapidly, reaching over $50 billion in 2024, but traditional surfactants like SLS often cause skin barrier irritation, creating an urgent need for mild, safe alternativesmaking natural-source amin…
View article: SYNTHESIS AND STUDY OF ORGANOSILICON COMPOUNDS BASED ON SODIUM METASILICATE AND DICHLOROHYDRIN
SYNTHESIS AND STUDY OF ORGANOSILICON COMPOUNDS BASED ON SODIUM METASILICATE AND DICHLOROHYDRIN Open
View article: Vapor-induced Miscibility Switching and Optical Response in a Functional Molecular Liquid–Pillar[5]arene System
Vapor-induced Miscibility Switching and Optical Response in a Functional Molecular Liquid–Pillar[5]arene System Open
Stimulus-responsive control of intermolecular interactions in multicomponent systems is a grand challenge in supramolecular chemistry and materials science. Herein, we demonstrate a stimulus-responsive miscibility switching in a two-compon…
View article: Recent Advances in Bioconjugation of Aromatic Amino Acid Residues by a Reactivity‐Guided Approach
Recent Advances in Bioconjugation of Aromatic Amino Acid Residues by a Reactivity‐Guided Approach Open
The bioconjugation of aromatic amino acids has emerged as a powerful strategy in chemical biology, drug discovery, and biomolecular research. Beyond the classical targeting of cysteine and lysine, aromatic amino acids residues offer higher…
View article: Adsorption-enhanced carbon membranes derived from copolyimide for ultrafast subangstrom discriminating CO <sub>2</sub> separation
Adsorption-enhanced carbon membranes derived from copolyimide for ultrafast subangstrom discriminating CO <sub>2</sub> separation Open
Carbon membranes are emerging as a versatile platform for the selective separation of gas mixtures with similar molecular sizes. Here, a high-performance carbon membrane is developed from an asymmetric, rigid copolyimide precursor via a pr…
View article: Automated Syntheses of Xylan Oligosaccharides Containing β3-Linkages Enable Substrate Specificity Studies of Xylanases from Marine Bacteria
Automated Syntheses of Xylan Oligosaccharides Containing β3-Linkages Enable Substrate Specificity Studies of Xylanases from Marine Bacteria Open
View article: Tamarind seed gum stabilized palladium nanoparticles: monowave synthesis, characterization, anticancer, antioxidant, and catalytic activities
Tamarind seed gum stabilized palladium nanoparticles: monowave synthesis, characterization, anticancer, antioxidant, and catalytic activities Open
Monowave synthesis offers a green, cost-effective, and non-hazardous alternative for biomedical applications compared to conventional methods. This study highlights the eco-friendly synthesis of palladium nanoparticles (PdNPs) using tamari…
View article: Facile Nitrone Synthesis Enables Bioorthogonal Payload Delivery
Facile Nitrone Synthesis Enables Bioorthogonal Payload Delivery Open
View article: Influence of Rare Earth Elements on Prebiotic Reaction Networks Resembling the Biologically Relevant Krebs Cycle
Influence of Rare Earth Elements on Prebiotic Reaction Networks Resembling the Biologically Relevant Krebs Cycle Open
Rare earth elements (REEs) are not rare, but rather abundant in the earth's crust and excellent catalysts for a multitude of organic reactions. They have been recently shown to be used in the active sites of bacterial enzymes and thus esse…
View article: Light-driven radical copper-catalyzed allylic amination via allylic copper intermediates
Light-driven radical copper-catalyzed allylic amination via allylic copper intermediates Open
The synthesis of allylic amines through an outer-sphere nucleophilic substitution mechanism involving electrophilic allyl copper(III) complexes with soft amines represents an uncharted territory in catalysis. This study introduces a radica…
View article: Exploring Indium Teflates: From Neutral In(OTeF <sub>5</sub> ) <sub>3</sub> (THF) <sub>3</sub> to Anionic Complexes [In(OTeF <sub>5</sub> ) <sub>4</sub> (THF) <sub>2</sub> ] <sup>–</sup> and [In(OTeF <sub>5</sub> ) <sub>6</sub> ] <sup>3–</sup>
Exploring Indium Teflates: From Neutral In(OTeF <sub>5</sub> ) <sub>3</sub> (THF) <sub>3</sub> to Anionic Complexes [In(OTeF <sub>5</sub> ) <sub>4</sub> (THF) <sub>2</sub> ] <sup>–</sup> and [In(OTeF <sub>5</sub> ) <sub>6</sub> ] <sup>3–</sup> Open
This study explores the synthesis and characterization of novel indium‐based pentafluoroorthotellurate (teflate) derivatives. It introduces a series of indium(III) teflate mono‐ and trianions, including [In(OTeF 5 ) 4 (THF) 2 ] – and [In(O…
View article: Indirect methanol synthesis from CO2 through high-efficient dimethyl carbonate hydrogenation as a bridge below 100°C
Indirect methanol synthesis from CO2 through high-efficient dimethyl carbonate hydrogenation as a bridge below 100°C Open
View article: Adsorption of phenol and bisphenol-A by activated carbon and graphene oxide: a comparative study
Adsorption of phenol and bisphenol-A by activated carbon and graphene oxide: a comparative study Open
The adsorption of phenol and bisphenol-A (BPA), two prominent environmental pollutants, by two distinct adsorbents—activated carbon (AC) and graphene oxide (GO)—was investigated through a comparative study. Batch adsorption experiments wer…