Outputs (134)

Nitro to amine reductions using aqueous flow catalysis under ambient conditions (2021)
Journal Article

A catalyst based on Pd on glass wool (Pd@GW) shows exceptional performance and durability for the reduction of nitrobenzene to aniline at room temperature and ambient pressure in aqueous solutions. The reaction is performed in a flow system and compl... Read More about Nitro to amine reductions using aqueous flow catalysis under ambient conditions.

Exploring the Role of Cluster Formation in UiO Family Hf Metal-Organic Frameworks with in Situ X-ray Pair Distribution Function Analysis (2021)
Journal Article

The structures of Zr and Hf metal-organic frameworks (MOFs) are very sensitive to small changes in synthetic conditions. One key difference affecting the structure of UiO MOF phases is the shape and nuclearity of Zr or Hf metal clusters acting as nod... Read More about Exploring the Role of Cluster Formation in UiO Family Hf Metal-Organic Frameworks with in Situ X-ray Pair Distribution Function Analysis.

Near-infrared PbS quantum dots functionalized with affibodies and ZnPP for targeted imaging and therapeutic applications (2021)
Journal Article

We report a new theranostic device based on lead sulfide quantum dots (PbS QDs) with optical emission in the near infrared wavelength range decorated with affibodies (small 6.5 kDa protein-based antibody replacements) specific to the cancer biomarker... Read More about Near-infrared PbS quantum dots functionalized with affibodies and ZnPP for targeted imaging and therapeutic applications.

Visible light-driven conjunctive olefination (2021)
Journal Article

Carboxylic acids and aldehydes are ubiquitous in chemistry and are native functionalities in many bioactive molecules and natural products. As such, a general cross-coupling process that involves these partners would open new avenues to achieve molec... Read More about Visible light-driven conjunctive olefination.

Erratum: Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction (Chemical Reviews (2020) 120:15 (7152−7218) DOI: 10.1021/acs.chemrev.9b00813) (2021)
Journal Article

The authors make the following additions and corrections to the paper, C. Baiz et al., Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction. Chem. Rev. 2020, 120, 7152?7218. 1. The below funding sources should be ad... Read More about Erratum: Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction (Chemical Reviews (2020) 120:15 (7152−7218) DOI: 10.1021/acs.chemrev.9b00813).

Front Cover: Palladium Nanoparticles Hardwired in Carbon Nanoreactors Enable Continually Increasing Electrocatalytic Activity During the Hydrogen Evolution Reaction (ChemSusChem 22/2021) (2021)
Journal Article

Kernel Methods for Predicting Yields of Chemical Reactions (2021)
Journal Article

The use of machine learning methods for the prediction of reaction yield is an emerging area. We demonstrate the applicability of support vector regression (SVR) for predicting reaction yields, using combinatorial data. Molecular descriptors used in... Read More about Kernel Methods for Predicting Yields of Chemical Reactions.

A systematic review and meta-analysis of altered electrophysiological markers of performance monitoring in Obsessive-Compulsive Disorder (OCD), Gilles de la Tourette Syndrome (GTS), Attention-Deficit/Hyperactivity disorder (ADHD) and Autism (2021)
Journal Article

Altered performance monitoring is implicated in obsessive-compulsive disorder (OCD), Gilles de la Tourette syndrome (GTS), attention-deficit/hyperactivity disorder (ADHD) and autism. We conducted a systematic review and meta-analysis of electrophysio... Read More about A systematic review and meta-analysis of altered electrophysiological markers of performance monitoring in Obsessive-Compulsive Disorder (OCD), Gilles de la Tourette Syndrome (GTS), Attention-Deficit/Hyperactivity disorder (ADHD) and Autism.

Green enzymatic synthesis and processing of poly (cis-9,10-epoxy-18-hydroxyoctadecanoic acid) in supercritical carbon dioxide (scCO2) (2021)
Journal Article

There is significant potential for industrial use of renewables for a wide range of materials demanded by society. Plants, trees and algae are increasingly attracting attention as sustainable sources for functionalised and polymerizable building bloc... Read More about Green enzymatic synthesis and processing of poly (cis-9,10-epoxy-18-hydroxyoctadecanoic acid) in supercritical carbon dioxide (scCO2).

Gaussian process models of potential energy surfaces with boundary optimization (2021)
Journal Article

A strategy is outlined to reduce the number of training points required to model intermolecular potentials using Gaussian processes, without reducing accuracy. An asymptotic function is used at a long range, and the crossover distance between this mo... Read More about Gaussian process models of potential energy surfaces with boundary optimization.