Search Results - "Kerdpol, Khanittha"

Voriconazole Eye Drops: Enhanced Solubility and Stability through Ternary Voriconazole/Sulfobutyl Ether β-Cyclodextrin/Polyvinyl Alcohol Complexes by Soe, Hay Man Saung Hnin, Kerdpol, Khanittha, Rungrotmongkol, Thanyada, Pruksakorn, Patamaporn, Autthateinchai, Rinrapas, Wet-Osot, Sirawit, Loftsson, Thorsteinn, Jansook, Phatsawee

“…Voriconazole (VCZ) is a broad-spectrum antifungal agent used to treat ocular fungal keratitis. However, VCZ has low aqueous solubility and chemical instability…”
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In Vitro and In Silico Study on the Molecular Encapsulation of α-Tocopherol in a Large-Ring Cyclodextrin by Sangkhawasi, Mattanun, Kerdpol, Khanittha, Ismail, Abbas, Nutho, Bodee, Hanpiboon, Chonnikan, Wolschann, Peter, Krusong, Kuakarun, Rungrotmongkol, Thanyada, Hannongbua, Supot

“…α-tocopherol is the physiologically most active form of vitamin E, with numerous biological activities, such as significant antioxidant activity, anticancer…”
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Effect of Water Microsolvation on the Excited-State Proton Transfer of 3-Hydroxyflavone Enclosed in γ-Cyclodextrin by Kerdpol, Khanittha, Daengngern, Rathawat, Sattayanon, Chanchai, Namuangruk, Supawadee, Rungrotmongkol, Thanyada, Wolschann, Peter, Kungwan, Nawee, Hannongbua, Supot

“…The effect of microsolvation on excited-state proton transfer (ESPT) reaction of 3-hydroxyflavone (3HF) and its inclusion complex with γ-cyclodextrin (γ-CD)…”
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Cavity Closure of 2-Hydroxypropyl-β-Cyclodextrin: Replica Exchange Molecular Dynamics Simulations by Kerdpol, Khanittha, Kicuntod, Jintawee, Wolschann, Peter, Mori, Seiji, Rungnim, Chompoonut, Kunaseth, Manaschai, Okumura, Hisashi, Kungwan, Nawee, Rungrotmongkol, Thanyada

“…2-Hydroxypropyl-β-cyclodextrin (HPβCD) has unique properties to enhance the stability and the solubility of low water-soluble compounds by inclusion…”
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Dynamics simulation of excited-state proton transfer reactions of 8-hydroxyquinoline with water clusters: A TD-DFT study by Kerdpol, Khanittha, Daengngern, Rathawat, Kungwan, Nawee

“…[Display omitted] •Water clusters added to 8HQ influence the strength of both intraHBs and interHBs.•The PT probabilities of 8HQ and 8HQ(W)1 are 0.80 and 0.88,…”
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Molecular encapsulation of emodin with various β-cyclodextrin derivatives: A computational study by Oo, Amy, Kerdpol, Khanittha, Mahalapbutr, Panupong, Rungrotmongkol, Thanyada

“…[Display omitted] •Emodin (ED) is able to form inclusion complexes with βCD, HPβCD and SBEβCD.•Complexation process is mainly driven by vdW interaction.•SBEβCD…”
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Solubility enhancement of poorly water soluble domperidone by complexation with the large ring cyclodextrin by Ismail, Abbas, Kerdpol, Khanittha, Rungrotmongkol, Thanyada, Tananuwong, Kanitha, Ueno, Takafumi, Ekasit, Sanong, Muangsin, Nongnuj, Krusong, Kuakarun

“…[Display omitted] •Domperidone solubility was increased by 3 fold when in complexation with LR-CDs.•The results of SEM, DSC, XRD, FTIR, NMR and TGA proved the…”
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Heteroatom effect on photophysical properties of 2-(2′-hydroxyphenyl)benzimidazole and its derivatives as fluorescent dyes: A TD-DFT study by Manojai, Natthaporn, Daengngern, Rathawat, Kerdpol, Khanittha, Ngaojampa, Chanisorn, Kungwan, Nawee

“…The effects of hetero nitrogen substitution on the photophysical properties and excited-state intramolecular proton transfer (ESIPT) of HBX derivatives (HBI,…”
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Excited-state intramolecular proton transfer reactions of 2,5-bis(2′-benzoxazolyl)hydroquinone and its water cluster exhibiting single and double proton transfer: A TD-DFT dynamics simulation by Daengngern, Rathawat, Salaeh, Rusrina, Saelee, Tinnakorn, Kerdpol, Khanittha, Kungwan, Nawee

“…Detailed pictures of the excited-state intramolecular proton transfer (ESIPT) of 2,5-bis(2′-benzoxazolyl)hydroquinone (BHQ) and its water cluster have been…”
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Theoretical Insights on Solvent Control of Intramolecular and Intermolecular Proton Transfer of 2‑(2′-Hydroxyphenyl)benzimidazole by Prommin, Chanatkran, Kanlayakan, Narissa, Chansen, Warinthon, Salaeh, Rusrina, Kerdpol, Khanittha, Daengngern, Rathawat, Kungwan, Nawee

“…Excited-state proton transfer (ESPT) processes of 2-(2′-hydroxyphenyl)­benzimidazole (HBI) and its complexation with protic solvents (H2O, CH3OH, and NH3) have…”
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Encapsulation of α-tocopherol in large-ring cyclodextrin containing 26 α-D-glucopyranose units: A molecular dynamics study by Kerdpol, Khanittha, Nutho, Bodee, Krusong, Kuakarun, Poo-arporn, Rungtiva P., Rungrotmongkol, Thanyada, Hannongbua, Supot

“…[Display omitted] •α-Tocopherol is fully and partly encapsulated inside hydrophobic interior of CD26.•The most stable α-tocopherol/CD26 inclusion complex is…”
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The effect of protic solvents on the excited state proton transfer of 3-hydroxyflavone: A TD-DFT static and molecular dynamics study by Salaeh, Rusrina, Prommin, Chanatkran, Chansen, Warinthon, Kerdpol, Khanittha, Daengngern, Rathawat, Kungwan, Nawee

“…The effect of intermolecular hydrogen bonding played by protic solvents (ammonia, methanol and water) on the excited state proton transfer (ESPT) reaction of…”
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Improvement of the solubility and anticancer activity of 6,8-dibromochrysin by encapsulation into β-cyclodextrin and its derivatives by Kerdpol, Khanittha, Oo, Amy, Mahalapbutr, Panupong, Todsaporn, Duangjai, Phumphuang, Siraphatsorn, Chavasiri, Warinthorn, Rungrotmongkol, Thanyada, Hannongbua, Supot

“…•Molecular modeling, SEM, and DSC confirm BrCN/βCDs inclusion complex formation.•Inclusion complexation with βCDs enhances the solubility and stability of…”
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Inclusion complexation of emodin with various β-cyclodextrin derivatives: Preparation, characterization, molecular docking, and anticancer activity by Oo, Amy, Mahalapbutr, Panupong, Krusong, Kuakarun, Liangsakul, Ponsiri, Thanasansurapong, Sariyarach, Reutrakul, Vichai, Kuhakarn, Chutima, Maitarad, Phornphimon, Silsirivanit, Atit, Wolschann, Peter, Putthisen, Siyaporn, Kerdpol, Khanittha, Rungrotmongkol, Thanyada

“…[Display omitted] •Inclusion complexation with βCDs enhances the solubility and stability of ED.•ED/DMβCD shows the highest water solubility and…”
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Theoretical insights into photoinduced proton transfer of 7-hydroxyquinoline via intermolecular hydrogen-bonded wire of mixed methanol and water by Kerdpol, Khanittha, Daengngern, Rathawat, Meeprasert, Jittima, Namuangruk, Supawadee, Kungwan, Nawee

“…Proton transfer (PT) reactions of 7-hydroxyquinoline (7HQ) via intermolecular hydrogen-bonded wire of methanol, water and mixed methanol–water in ground (S 0 )…”
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Excited-state proton-transfer reactions of 7-azaindole with water, ammonia and mixed water-ammonia: microsolvated dynamics simulation by Kerdpol, Khanittha, Daengngern, Rathawat, Kungwan, Nawee

“…Dynamics simulations of excited-state multiple proton transfer (ESMPT) reactions in 7-azaindole (7AI) with ammonia, mixed water-ammonia, and water molecules…”
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Theoretical study on influence of geometry controlling over the excited-state intramolecular proton transfer of 10-hydroxybenzo[h]quinoline and its derivatives by Chansen, Warinthon, Salaeh, Rusrina, Prommin, Chanatkran, Kerdpol, Khanittha, Daengngern, Rathawat, Kungwan, Nawee

“…[Display omitted] •Calculated electronic spectra of HBQ agree with experiments.•Geometry changes lead to different electronic spectra.•Potential energy…”
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Dynamics simulations of excited-state triple proton transfer in 7-azaindole complexes with water, water–methanol and methanol by Daengngern, Rathawat, Kerdpol, Khanittha, Kungwan, Nawee, Hannongbua, Supa, Barbatti, Mario

“…•We model excited-state triple proton transfer (ESTPT) of 7-azaindole with solvents.•The PT from pyrrole to the solvent is the rate determining step of the…”
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TD-DFT Study of Absorption and Emission Spectra of 2-(2′-Aminophenyl)benzothiazole Derivatives in Water by Manojai, Natthaporn, Daengngern, Rathawat, Kerdpol, Khanittha, Kungwan, Nawee, Ngaojampa, Chanisorn

“…Reduction of aromatic azides to amines is an important property of hydrogen sulphide (H 2 S) which is useful in fluorescence microscopy and H 2 S probing in…”
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Effects of the second hydration shell on excited-state multiple proton transfer: dynamics simulations of 7-azaindole:(H2O)1–5 clusters in the gas phase by Kungwan, Nawee, Kerdpol, Khanittha, Daengngern, Rathawat, Hannongbua, Supa, Barbatti, Mario

“…Dynamics of the multiple excited-state proton transfer (ESPT) in clusters of 7-azaindole with up to five water molecules was investigated with quantum chemical…”
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