Essays about: "coupling reactions"

Showing result 1 - 5 of 16 essays containing the words coupling reactions.

1. 1. Evaluating and optimizing Transformer models for predicting chemical reactions

   University essay from Göteborgs universitet/Institutionen för data- och informationsteknik

   Author : Siva Manohar Koki; Supriya Kancharla; [2023-10-23]
   Keywords : Chemformer; transformer; evaluation; explainable AI; fine-tuning; machine learning;

   Abstract : In this thesis, we assess the effectiveness of a transformer model specifically trained to predict chemical reactions. The model, named Chemformer, is a sequence-tosequence model that uses the transformer’s encoder and decoder stacks. READ MORE

3. 2. Synthesis and analysis of potential metabolites of ADB-5´Br-BUTINACA

   University essay from Linköpings universitet/Kemi

   Author : Alaa Malekshahineia; [2023]
   Keywords : metabolites; NPS; synthetic cannabinoids;

   Abstract : In recent years, there has been a rise in the use of New Psychoactive Substances (NPS) that mimic the effects of controlled drugs and licensed medicines, which have become a significant public health concern globally. Synthetic cannabinoids, a rapidly expanding category of NPS, with much higher potency and binding affinity to the cannabinoid receptors than ∆9-tetrahydrocannabinol (THC), have led to serious psychiatric complications and other adverse effects. READ MORE

4. 3. Computational modelling of photosynthetic excitons coupled to a microcavity

   University essay from Lunds universitet/Fysiska institutionen; Lunds universitet/Beräkningsbiologi och biologisk fysik - Genomgår omorganisation; Lunds universitet/Institutionen för astronomi och teoretisk fysik - Genomgår omorganisation

   Author : Ilmari Turunen; [2022]
   Keywords : Cavity QED; LH2; Chlorophyll; Exciton; Polariton; Transition dipole moment; Absorbance; Physics and Astronomy; Chemistry; Biology and Life Sciences;

   Abstract : Cavity quantum electrodynamics (QED) is a theory that is used for describing the interaction between matter and cavity modes. Not until relatively recently, cavity QED has been extended to the study of photosynthetic light-harvesting complexes (LHCs). READ MORE

5. 4. Influence of The Heavy Atom Effect on The Cage Escape Yields of Iron(III)-Photosensitizers with N-Heterocyclic Carbene Ligands

   University essay from Uppsala universitet/Fysikalisk kemi

   Author : Johannes Wega; [2022]
   Keywords : ;

   Abstract : The recent emergence of earth-abundant iron(III)-photosensitizers with N-heterocyclic carbene ligands, exhibiting nanosecond ligand-to-metal charge-transfer states with suitable redox potentials to activate a broad range of substances, offers the possibility to convert sunlight into chemical substances, such as fuels or pharmaceuticals, in an environmentally friendly way. These complexes, however, often suffer from low yields of charge-separated products escaping the solvent cage, making such applications inherently inefficient. READ MORE

6. 5. Suzuki reactions in novel liquids

   University essay from Linnéuniversitetet/Institutionen för kemi och biomedicin (KOB)

   Author : Nazanin Hassanzadeh; [2021]
   Keywords : Suzuki coupling reaction; ni-DES; HPLC; TLC;

   Abstract : Non-ionic deep eutectic solvent (ni-DES) possesses various advantages such as good solvation, biodegradability, and non-toxicity which makes it a perfect and environmentally friendly solvent for organic synthesis. A Pd (OAc)2 catalyzed, Suzuki reaction of aryl bromide and N-heteroaryl halide with arylboronic acid in green and novel solvent (ni-DES) is described. READ MORE