Christian Pedersen
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Ex-situ generation of gaseous nitriles in two-chamber glassware for facile haloacetimidate synthesis Open
The synthesis of fluorinated haloacetimidates relies on the access to the corresponding fluoroacetonitriles, which are toxic gaseous molecules difficult to store and handle. In this work we develop a safe two-chamber method for the ex-situ…
<i>Ex-situ</i> generation of gaseous nitriles in two-chamber glassware for facile haloacetimidate synthesis. Open
The synthesis of fluorinated haloacetimidates relies on the access to the corresponding fluoroacetonitriles, which are toxic gaseous molecules difficult to store and handle. In this work we develop a safe two-chamber method for the ex-situ…
Single-Cell Transcriptomics Uncover IBSP as a Mediator of Tumor-Associated Microglia and Macrophages-Driven Glioblastoma Progression Open
Tumor-associated microglia and macrophages (TAMs) represent the second largest cellular population in glioblastoma and play a pivotal role in tumor progression. However, the transcriptional landscape underlying CD11b+TAM heterogeneity rema…
Reaction Discovery Using Bayesian Optimization: Lithium Salt Directed Stereoselective Glycosylations Open
In recent years, Bayesian optimization has gained increasing interest as a tool for reaction optimization. Here we use Bayesian optimization in a reaction discovery fashion by treating the glycosylation reaction class as a black box functi…
Tutorial Review on Modeling Nonstatistical Reactivity: an Example of Light and Heat in the Garratt–Braverman/[1,5]-H Shift of Ene-diallenes Open
Broad terms in the literature, such as nonstatistical reactivity or nontraditional luminescence, emerge when standard theories fail to explain experimental results. In the case of nonstatistical and dynamic effects, reaction rates and prod…
Urea Derivatives as H2S Scavengers Open
Simple urea-based chemicals have been used in the textile industry for “ironing-free clothes” for decades. One of the most used chemicals is 1,3-dimethylol-4,5-dihydroxyethyleneurea (DMDHEU), which consists of urea, glyoxal and formaldehyd…
Discovery of novel glycosylation methods using Bayesian optimization: lithium salt directed stereoselective glycosylations Open
Bayesian optimization enables the discovery of novel stereoselective glycosylations.
Anomeric Selectivity of Glycosylations Through a Machine Learning Lens Open
Predicting the stereoselectivity of glycosylations is a major challenge in carbohydrate chemistry. Herein we show that it is possible to build machine learning models that can predict the major anomer of a glycosylation, whether the other …
View article: DDEL-06. CONVECTION-ENHANCED DELIVERY OF SEVEN DIFFERENT MOLECULES SHOW LARGE DIFFERENCES IN CONVECTIVE PROPERTIES BETWEEN MOLECULES. INFORMED DECISION MAKING FOR OPTIMIZED CATHETER PLACEMENT AND SUBSEQUENT INFUSION STRATEGIES
DDEL-06. CONVECTION-ENHANCED DELIVERY OF SEVEN DIFFERENT MOLECULES SHOW LARGE DIFFERENCES IN CONVECTIVE PROPERTIES BETWEEN MOLECULES. INFORMED DECISION MAKING FOR OPTIMIZED CATHETER PLACEMENT AND SUBSEQUENT INFUSION STRATEGIES Open
INTRODUCTION Glioblastoma (GBM) trials based on convection-enhanced drug delivery (CED) bypassing the blood-brain barrier have failed to prove efficient until now. Many factors influence CED. In this study we evaluated CED of seven differe…
A New Platform Molecule from Gluconolactone? Access to Furanics, Rare Sugars, β‐Ketoamides and Amino Furanones Open
Gluconolactone serves as a readily available and inexpensive starting material for synthesizing the potential platform chemical (Z)‐3‐deoxy‐1,2 : 5,6‐di‐O‐isopropylidene‐D‐erythro‐hex‐3‐enolactone in two steps. In this work, the selective …
A Glycosylation Mechanism Case Study: Unraveling the Mechanism of Stereospecific Self-promoted N -Glycosylations Open
In this study, the mechanism of self-promoted N-glycosylations is extensively investigated through kinetic experiments, computational studies, and nucleophilic competition experiments. Based on the findings, the mechanism is proposed to be…
Insights on Nefecon®, a Targeted-Release Formulation of Budesonide and Its Selective Immunomodulatory Effects in Patients with IgA Nephropathy Open
Immunoglobulin A nephropathy (IgAN) is a chronic, immune-mediated kidney disease characterized by the deposition of galactose-deficient immunoglobulin A1 (Gd-IgA1) in the kidneys. Excess Gd-IgA1 production in patients with IgAN is located …
Synthesis of reactive trichloroacetimidates using polymer supported DBU catalysis Open
Trichloroacetimidates are commonly synthesized to be used as alkylating or glycosylating reagents. They are synthesized from an alcohol and trichloroacetonitrile and DBU is the preferred base catalyst for this reaction. Here is presented a…
Insight into spatial intratumoral genomic evolution in glioblastoma Open
Glioblastoma undergoes a complex and dynamic evolution involving genetic and epigenetic changes. Understanding the mechanisms underlying this evolution is vital for the development of efficient therapeutic strategies. Although treatment re…
Self‐Promoted Glycosylation of Carbamoylated Peptides on Solid Phase Open
Self‐promoted glycosylations with trichloroacetimidate glycosyl donors are demonstrated on solid‐phase‐anchored peptides orthogonally deprotected and tosylcarbamoylated on the side‐chains of cysteine and serine, respectively. The donor sco…
Multifunctional biomass-based chemicals: H<sub>2</sub>S scavenging Open
Multivalent biomass-based H 2 S scavengers have been prepared in a few steps from cheap and readily available chemicals and evaluated using state-of-the-art in situ Raman spectroscopy under reaction conditions relevant to industrial applic…
CO<sub>2</sub> complexation with cyclodextrins Open
Carbon dioxide (CO 2 ) emissions from industrial processes, power generation, and transportation contribute significantly to global warming and climate change. Carbon capture and storage (CCS) technologies are essential to reduce these emi…
CCDC 2247021: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Instability and rupture of sheared viscous liquid nanofilms
Instability and rupture of sheared viscous liquid nanofilms Open
Liquid nanofilms are ubiquitous in nature and technology, and their equilibrium and out-of-equilibrium dynamics are key to a multitude of phenomena and processes. We numerically study the evolution and rupture of viscous nanometric films, …
Furfural residues derived nitrogen-sulfur co-doped sheet-like carbon: An excellent electrode for dual carbon lithium-ion capacitors Open
The state-of-the-art lithium-ion capacitors (LICs), consisting of high-capacity battery-type anode and high-rate capacitor-type cathode, can deliver high energy density and large power density when comparing with traditional supercapacitor…
Self‐Promoted N‐Glycosylation: Extended Substrate Scope and Substituent Effects Open
A self‐promoted glycosylation method for the stereoselective formation of β‐glucosides from a substrate library of glycosyl trichloroacetimidate glycosyl donors and glycosyl acceptors is presented. The simple two‐component reaction takes p…
Substrate Specific Closed-loop Optimization of Carbohydrate Protective Group Chemistry Using Bayesian Optimization and Transfer Learning Open
A new way of performing reaction optimization within carbohydrate chemistry is presented. This is done by performing closed-loop optimization of regioselective benzoylation of unprotected glycosides using Bayesian optimization. Both 6-O- m…
Substrate specific closed-loop optimization of carbohydrate protective group chemistry using Bayesian optimization and transfer learning Open
Closed-loop optimizations of regioselective benzoylations of unprotected carbohydrates using automated synthesis and Bayesian optimization. The autonomous search revealed novel procedures for both regioselective mono and dibenzoylations.
Understanding the interaction mechanism of carbazole/anthracene with <i>N</i> , <i>N</i> -dimethylformamide: NMR study substantiated carbazole separation Open
In this work, the intermolecular interaction of carbazole/anthracene with DMF was investigated using various NMR techniques. More importantly, the intermolecular hydrogen bond between carbazole and DMF in the form of CO⋯H–N was proposed.
View article: Surface and Bulk Relaxation of Vapour-Deposited Polystyrene Glasses
Surface and Bulk Relaxation of Vapour-Deposited Polystyrene Glasses Open
We have studied the liquid-like response of the surface of vapour-deposited glassy films of polystyrene to the introduction of gold nanoparticles on the surface. The build-up of polymer material was measured as a function of time and tempe…
Glycosyl Formates: Glycosylations with Neighboring-Group Participation Open
Protected 2-O-benzyolated glycosyl formates were synthesized in one-step from the corresponding orthoester using formic acid as the sole reagent. Glucopyranosyl, mannopyranosyl and galactopyranosyl donors were synthesized and their glycosy…