Search Results - "Rungnim, Chompoonut"

A DFT study of volatile organic compounds adsorption on transition metal deposited graphene by Kunaseth, Manaschai, Poldorn, Preeyaporn, Junkeaw, Anchalee, Meeprasert, Jittima, Rungnim, Chompoonut, Namuangruk, Supawadee, Kungwan, Nawee, Inntam, Chan, Jungsuttiwong, Siriporn

“…[Display omitted] •VOCs removal via modified carbon-based adsorbent using density functional theory.•The single-vacancy defective graphene (SDG) with…”
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Biological Evaluation and Molecular Dynamics Simulation of Chalcone Derivatives as Epidermal Growth Factor-Tyrosine Kinase Inhibitors by Sangpheak, Kanyani, Tabtimmai, Lueacha, Seetaha, Supaphorn, Rungnim, Chompoonut, Chavasiri, Warinthorn, Wolschann, Peter, Choowongkomon, Kiattawee, Rungrotmongkol, Thanyada

“…Targeted cancer therapy has become a high potential cancer treatment. Epidermal growth factor receptor (EGFR), which plays an important role in cell signaling,…”
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Encapsulation of alpha-mangostin and hydrophilic beta-cyclodextrins revealed by all-atom molecular dynamics simulations by Hotarat, Wiparat, Phunpee, Sarunya, Rungnim, Chompoonut, Wolschann, Peter, Kungwan, Nawee, Ruktanonchai, Uracha, Rungrotmongkol, Thanyada, Hannongbua, Supot

“…The binding affinity of α-mangostin (MGS) inside β-cyclodextrin (βCD) and two of its derivatives, 2,6-dimethyl-β-cyclodextrin (DMβCD) and…”
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Co-solvation effect on the binding mode of the α-mangostin/β-cyclodextrin inclusion complex by Rungnim, Chompoonut, Phunpee, Sarunya, Kunaseth, Manaschai, Namuangruk, Supawadee, Rungsardthong, Kanin, Rungrotmongkol, Thanyada, Ruktanonchai, Uracha

“…Cyclodextrins (CDs) have been extensively utilized as host molecules to enhance the solubility, stability and bioavailability of hydrophobic drug molecules…”
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Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes by Nutho, Bodee, Khuntawee, Wasinee, Rungnim, Chompoonut, Pongsawasdi, Piamsook, Wolschann, Peter, Karpfen, Alfred, Kungwan, Nawee, Rungrotmongkol, Thanyada

“…In the present study, our aim is to investigate the preferential binding mode and encapsulation of the flavonoid fisetin in the nano-pore of β-cyclodextrin…”
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Computational screening of chalcones acting against topoisomerase IIα and their cytotoxicity towards cancer cell lines by Sangpheak, Kanyani, Mueller, Monika, Darai, Nitchakan, Wolschann, Peter, Suwattanasophon, Chonticha, Ruga, Ritbey, Chavasiri, Warinthon, Seetaha, Supaporn, Choowongkomon, Kiattawee, Kungwan, Nawee, Rungnim, Chompoonut, Rungrotmongkol, Thanyada

“…Targeted cancer therapy has become one of the high potential cancer treatments. Human topoisomerase II (hTopoII), which catalyzes the cleavage and rejoining of…”
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Control of a Dual-Cross-Linked Boron Nitride Framework and the Optimized Design of the Thermal Conductive Network for Its Thermoresponsive Polymeric Composites by Jiang, Fang, Cui, Siqi, Rungnim, Chompoonut, Song, Na, Shi, Liyi, Ding, Peng

“…With the development of polymer-based composite materials technologies and the continuous expansion of its application scale, the research focus has shifted…”
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Hydrogen storage performance of platinum supported carbon nanohorns: A DFT study of reaction mechanisms, thermodynamics, and kinetics by Rungnim, Chompoonut, Faungnawakij, Kajornsak, Sano, Noriaki, Kungwan, Nawee, Namuangruk, Supawadee

“…Platinum (Pt) is one of a robust hydrogen dissociative catalyst. However, the migration of dissociated hydrogens from Pt nanoparticles to carbon supports such…”
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Complete reaction mechanisms of mercury oxidation on halogenated activated carbon by Rungnim, Chompoonut, Promarak, Vinich, Hannongbua, Supa, Kungwan, Nawee, Namuangruk, Supawadee

“…•Hg oxidation on halogenated activated carbon were investigated by DFT method.•Halide type has less effect to Hg adsorption energy.•Halide type strongly…”
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In silico screening of chalcones against Epstein-Barr virus nuclear antigen 1 protein by Nitchakan Darai, Panupong Mahalapbutr, Kanyani Sangpheak, Chompoonut Rungnim, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol

“…The Epstein-Barr nuclear antigen 1 (EBNA1) is a crucial protein expressed by the Epstein-Barr virus (EBV). The EBNA1 is necessary for the replication and…”
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DFT Study of Catalytic CO2 Hydrogenation over Pt-Decorated Carbon Nanocones: H2 Dissociation Combined with the Spillover Mechanism by Yodsin, Nuttapon, Rungnim, Chompoonut, Tungkamani, Sabaithip, Promarak, Vinich, Namuangruk, Supawadee, Jungsuttiwong, Siriporn

“…In this work, we investigate the catalytic role of platinum-decorated defective CNC (Pt/dCNC) in CO2 hydrogenation to formic acid (FA) by a density functional…”
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Self-calcifying lipid nanocarrier for bone tissue engineering by Chaiin, Poowadon, Yostaworakul, Jakarwan, Rungnim, Chompoonut, Khemthong, Pongtanawat, Yata, Teerapong, Boonrungsiman, Suwimon

“…A nanoemulsion with specific surface properties (such as charge and functional groups) can initiate the deposition of calcium phosphate (CaP) on its surface,…”
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DFT Study of Catalytic CO 2 Hydrogenation over Pt-Decorated Carbon Nanocones: H 2 Dissociation Combined with the Spillover Mechanism by Yodsin, Nuttapon, Rungnim, Chompoonut, Tungkamani, Sabaithip, Promarak, Vinich, Namuangruk, Supawadee, Jungsuttiwong, Siriporn

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Controllable encapsulation of α-mangostin with quaternized β-cyclodextrin grafted chitosan using high shear mixing by Phunpee, Sarunya, Suktham, Kunat, Surassmo, Suvimol, Jarussophon, Suwatchai, Rungnim, Chompoonut, Soottitantawat, Apinan, Puttipipatkhachorn, Satit, Ruktanonchai, Uracha Rungsardthong

“…The CS chain, β-CD and α-mangostin are represented by grey, cyan and pink surfaces, respectively. [Display omitted] In this study, the inclusion complex…”
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Characterization and in vitro evaluation of melanin nanoparticles as an oral drug delivery system: Studies using Caco-2 cell model and molecular dynamics simulations by Suchaoin, Wongsakorn, Kunyanee, Chanikarn, Kongtaworn, Napat, Nutho, Bodee, Rungnim, Chompoonut, Rungrotmongkol, Thanyada, Wutikhun, Tuksadon, Gonil, Pattarapond, Sajomsang, Warayuth, Aueviriyavit, Sasitorn

“…Interest has been shown in the use of melanin nanoparticles (MNPs) for drug delivery applications. This study investigates the potential use of MNPs as an oral…”
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Effect of the ethanol-to-water ratio on the properties of silica–carbon core–shell materials for prolonged antibacterial activity of thymol by Khemthong, Pongtanawat, Phanthasri, Jakkapop, Youngjan, Saran, Wanmolee, Wanwitoo, Samun, Yodsagon, Sosa, Narongrit, Rungnim, Chompoonut, Kraithong, Wasawat, Sangkhun, Weradesh, Parnthong, Jatuporn, Butburee, Teera, Thanee, Kidsada, Nakajima, Hideki, Supruangnet, Ratchadaporn, Towiwat, Pasarapa, Chanvorachote, Pithi, Sukrong, Suchada

“…[Display omitted] •The ratio of ethanol to water affected the morphology and particle size of SiO2@C.•Surface species of SiO2@C core–shell effected the…”
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Molecular dynamics properties of varying amounts of the anticancer drug gemcitabine inside an open-ended single-walled carbon nanotube by Rungnim, Chompoonut, Arsawang, Uthumporn, Rungrotmongkol, Thanyada, Hannongbua, Supot

“…[Display omitted] ► 1–6 Gemcitabine drugs confined inside SWCNT were studied using MD simulation. ► At low content, two adjacent drugs moved together due to…”
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Rational design for MgO-modified porous carbon towards enhancing zoledronic acid adsorption by Wongthong, Unchidtha, Khemthong, Pongtanawat, Youngjan, Saran, Phanthasri, Jakkapop, Toso, Montree, Rungnim, Chompoonut, Boonrungsiman, Suwimon, Butburee, Teera, Sriring, Manus, Chanthad, Chalathorn, Sreearunothai, Paiboon, Ikoma, Toshiyuki, Nakajima, Hideki, Klysubun, Wantana, Supruangnet, Ratchadaporn, Singhatanadgit, Weerachai

“…[Display omitted] •The adsorption mechanism of zoledronic acid (ZA) over MgO/AC is reported for the first time.•The rational design concept to remove ZA by…”
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Replica exchange molecular dynamics simulation of chitosan for drug delivery system based on carbon nanotube by Rungnim, Chompoonut, Rungrotmongkol, Thanyada, Hannongbua, Supot, Okumura, Hisashi

“…[Display omitted] ► The behaviors of wrapped chitosan chain over SWCNT surface depend on temperature. ► The length of chitosan effect to the binding of EGF and…”
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Effects of shape, size, and pyrene doping on electronic properties of graphene nanoflakes by Kuamit, Thanawit, Ratanasak, Manussada, Rungnim, Chompoonut, Parasuk, Vudhichai

“…Effects of size, shape, and pyrene doping on electronic properties of graphene nanoflakes (GNFs) were theoretically investigated using density functional…”
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