Manussada Ratanasak
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View article: Development of an On-DNA Platform Molecule Bearing a Diazidestructure and Its Application to DEL Synthesis
Development of an On-DNA Platform Molecule Bearing a Diazidestructure and Its Application to DEL Synthesis Open
Expanding the chemical space of DNA-encoded libraries (DELs) is desirable for identifying novel bioactive compounds and enhancing hit quality in affinity-based screening. In this study, we designed and synthesized a new on-DNA diazide plat…
View article: Front Cover: A Mild and Catalyst‐Free Synthesis of Cannabidiols and Regioisomers Mediated by Fluorinated Alcohols (Chem. Asian J. 12/2025)
Front Cover: A Mild and Catalyst‐Free Synthesis of Cannabidiols and Regioisomers Mediated by Fluorinated Alcohols (Chem. Asian J. 12/2025) Open
View article: Investigating the Photolysis Mechanism of Propylene Oxide Using DFT and TD-DFT
Investigating the Photolysis Mechanism of Propylene Oxide Using DFT and TD-DFT Open
Propylene oxide (PO) is a chiral molecule initially identified in the Sagittarius B2 star-forming region through telescopic observations under interstellar conditions. The possibility of homochirality of PO by photolysis is interesting for…
View article: A Mild and Catalyst‐Free Synthesis of Cannabidiols and Regioisomers Mediated by Fluorinated Alcohols
A Mild and Catalyst‐Free Synthesis of Cannabidiols and Regioisomers Mediated by Fluorinated Alcohols Open
This study presents a novel and practical strategy for synthesizing cannabinoids using a fluorinated alcohol solvent for the first time. Hexafluoroisopropanol (HFIP) was found to efficiently promote intermolecular Friedel–Crafts alkylation…
View article: Conformational constraints in [Ni(P<sup>R</sup><sub>2</sub>N<sup>R′</sup><sub>2</sub>)<sub>2</sub>] complexes for tuning H<sub>2</sub> production and oxidation: a DFT-based ligand design study
Conformational constraints in [Ni(P<sup>R</sup><sub>2</sub>N<sup>R′</sup><sub>2</sub>)<sub>2</sub>] complexes for tuning H<sub>2</sub> production and oxidation: a DFT-based ligand design study Open
Ligand design for H 2 oxidation/production activity of Ni complex via tuning dihedral angle. Tetrahedral constraint leads to H 2 oxidation while square-planar constraint switches to H 2 production.
View article: Dft Study of Lithium Absorption and Adsorption in Silicon Bulk, Nanowires, and Nanopores: Toward Li-Ion Batteries with High Capacity and Long Cycle Life
Dft Study of Lithium Absorption and Adsorption in Silicon Bulk, Nanowires, and Nanopores: Toward Li-Ion Batteries with High Capacity and Long Cycle Life Open
View article: One‐Step Esterification of Phosphoric, Phosphonic and Phosphinic Acids with Organosilicates: Phosphorus Chemical Recycling of Sewage Waste
One‐Step Esterification of Phosphoric, Phosphonic and Phosphinic Acids with Organosilicates: Phosphorus Chemical Recycling of Sewage Waste Open
Global concerns regarding the depletion and strategic importance of phosphorus resources have increased demand for the recovery and recycling. However, waste‐derived phosphorus compounds, primarily as chemically inert phosphoric acid or it…
View article: Chemical Recycling of Phosphoric Acid Recovered from Sewage Waste via Direct Esterification with Organosilicate
Chemical Recycling of Phosphoric Acid Recovered from Sewage Waste via Direct Esterification with Organosilicate Open
Global concerns regarding the depletion and strategic importance of phosphorus resources have increased demand for the recovery and recycling. However, waste-derived phosphorus compounds, primarily as chemically inert phosphoric acid or it…
View article: Chemical upcycling of phosphoric acid recovered from sewage waste
Chemical upcycling of phosphoric acid recovered from sewage waste Open
Global concerns surrounding the depletion and strategic importance of phosphorus resources have heightened the demand for the recovery and recycling efforts. However, the phosphorus compound obtained from waste exists primarily as chemical…
View article: Bulky magnesium(<scp>ii</scp>) and sodium(<scp>i</scp>) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates
Bulky magnesium(<span>ii</span>) and sodium(<span>i</span>) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates Open
Bulky Mg( ii ) and Na( i ) bisphenoxides have been developed as extremely effective catalysts for the chemoselective transesterification of methyl (meth)acrylates. Plausible mechanisms are proposed based on the results of XRD and DFT calcu…
View article: CCDC 2072360: Experimental Crystal Structure Determination
CCDC 2072360: 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: CCDC 2072358: Experimental Crystal Structure Determination
CCDC 2072358: 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: CCDC 2072359: Experimental Crystal Structure Determination
CCDC 2072359: 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: CCDC 2072638: Experimental Crystal Structure Determination
CCDC 2072638: 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: Asymmetric Dehydrative Cyclization of Allyl Alcohol to Cyclic Ether Using Chiral Brønsted Acid/CpRu(II) Hybrid Catalysts: A DFT Study of the Origin of Enantioselectivity
Asymmetric Dehydrative Cyclization of Allyl Alcohol to Cyclic Ether Using Chiral Brønsted Acid/CpRu(II) Hybrid Catalysts: A DFT Study of the Origin of Enantioselectivity Open
To elucidate the reaction mechanism and the origin of the enantioselectivity of the asymmetric dehydrative cyclization of allyl alcohol to cyclic ether catalyzed by a Cp-ruthenium complex and a chiral pyridinecarboxylic acid, (R)-X-…
View article: A boron-transfer mechanism mediating the thermally induced revival of frustrated carbene–borane pairs from their shelf-stable adducts
A boron-transfer mechanism mediating the thermally induced revival of frustrated carbene–borane pairs from their shelf-stable adducts Open
View article: A Boron-Transfer Mechanism Mediating the Thermally Induced Revival of Frustrated Carbene−Borane Pairs from their Shelf-Stable Adducts
A Boron-Transfer Mechanism Mediating the Thermally Induced Revival of Frustrated Carbene−Borane Pairs from their Shelf-Stable Adducts Open
Combined experimental and theoretical studies allowed clarifying the reaction mechanism for the revival of frustrated carbene−borane pairs from external-stimuli-responsive classical Lewis adducts comprised of N-phosphine oxide-substituted …
View article: A Boron-Transfer Mechanism Mediating the Thermally Induced Revival of Frustrated Carbene−Borane Pairs from their Shelf-Stable Adducts
A Boron-Transfer Mechanism Mediating the Thermally Induced Revival of Frustrated Carbene−Borane Pairs from their Shelf-Stable Adducts Open
Combined experimental and theoretical studies allowed clarifying the reaction mechanism for the revival of frustrated carbene−borane pairs from external-stimuli-responsive classical Lewis adducts comprised of N-phosphine oxide-substituted …
View article: Chemoselective Transesterification of Methyl (Meth)acrylates Catalyzed by Sodium(I) or Magnesium(II) Aryloxides
Chemoselective Transesterification of Methyl (Meth)acrylates Catalyzed by Sodium(I) or Magnesium(II) Aryloxides Open
A highly chemoselective transesterification of methyl (meth)acrylates catalyzed by sterically demanding 2,6-di-tert-butyl-4-methylphenol-derived NaOAr or Mg(OAr)(2) was developed. The desired transesterification proceeded without the undes…
View article: Roles of Salicylate Donors in Enhancement of Productivity and Isotacticity of Ziegler–Natta Catalyzed Propylene Polymerization
Roles of Salicylate Donors in Enhancement of Productivity and Isotacticity of Ziegler–Natta Catalyzed Propylene Polymerization Open
Roles of internal salicylate donors (SID) in enhancing activity and stereoselectivity of Ziegler–Natta catalyzed propylene (PP) polymerization were examined using DFT calculations. Five salicylate donors were studied. The chelate mode is t…
View article: Aluminum porphyrins with quaternary ammonium halides as catalysts for copolymerization of cyclohexene oxide and CO<sub>2</sub>: metal–ligand cooperative catalysis
Aluminum porphyrins with quaternary ammonium halides as catalysts for copolymerization of cyclohexene oxide and CO<sub>2</sub>: metal–ligand cooperative catalysis Open
Bifunctional Al porphyrins worked as excellent catalysts for the copolymerization of cyclohexene oxide (CHO) and CO2.
View article: Optimizing link atom parameters for DNA QM/MM simulations
Optimizing link atom parameters for DNA QM/MM simulations Open
This work optimizes the link bond description of the quantum mechanical/molecular mechanical separation of deoxynucleosides. The nucleosides are separated at the C–N bond between the nucleobase and the deoxyribose, with the former acting a…