Publication

2021

[1] T. Jitwatanasirikul, T. Roongcharoen, C. Chitpakdee, S. Jungsuttiwong, P. Poldorn, K. Takahashi, S. Namuangruk, Co-embedded sulfur vacant MoS2 monolayer as a promising catalyst for formaldehyde oxidation: a theoretical evaluation, NEW J. Chem. 45 (2021) 17407–17417. doi:10.1039/d1nj02869c.

[2] J. Santatiwongchai, K. Faungnawakij, P. Hirunsit, Comprehensive Mechanism of CO2 Electroreduction toward Ethylene and Ethanol: The Solvent Effect from Explicit Water Cu(100) Interface Models, ACS Catal. 11 (2021) 9688–9701. doi:10.1021/acscatal.1c01486.

[3] T. Somboon, P. Mahalapbutr, K. Sanachai, P. Maitarad, V.S. Lee, S. Hannongbua, T. Rungrotmongkol, Computational study on peptidomimetic inhibitors against SARS-CoV-2 main protease, J. Mol. Liq. 322 (2021). doi:10.1016/j.molliq.2020.114999.

[4] K. Atsawawaranunt, T. Kochakarn, A. Kongklieng, P. Panwijitkul, R. Tragoolpua, K. Jaradilokkul, P. Kaewmalang, D. Loesbanluechai, N. Kotanan, K. Joonlasak, E.M. Batty, A. Mungaomklang, V. Pawun, W. Chantratita, T. Chookajorn, COVID-19 Transmission among Healthcare Workers at a Quarantine Facility in Thailand: Genomic and Outbreak Investigations, Am. J. Trop. Med. Hyg. 105 (2021) 421–424. doi:10.4269/ajtmh.21-0344.

[5] P. Sikam, K. Takahashi, T. Roongcharoen, T. Jitwatanasirikul, C. Chitpakdee, K. Faungnawakij, S. Namuangruk, Effect of 3d-transition metals doped in ZnO monolayers on the CO2 electrochemical reduction to valuable products: first principles study, Appl. Surf. Sci. 550 (2021) 149380. doi:10.1016/j.apsusc.2021.149380.

[6] P. Phonsuksawang, P. Khajondetchairit, K. Ngamchuea, T. Butburee, S. Sattayaporn, N. Chanlek, S. Suthirakun, T. Siritanon, Enhancing performance of NiCo2S4/Ni3S2 supercapacitor electrode by Mn doping, Electrochim. Acta. 368 (2021). doi:10.1016/j.electacta.2020.137634.

[7] A. Junkaew, M. Ehara, L. Huang, S. Namuangruk, Facet-dependent catalytic activity of anatase TiO2 for the selective catalytic reduction of NO with NH3: A dispersion-corrected density functional theory study, Appl. Catal. A-GENERAL. 623 (2021). doi:10.1016/j.apcata.2021.118250.

[8] M. Liangruksa, P. Sukpoonprom, A. Junkaew, W. Photaram, C. Siriwong, Gas sensing properties of palladium-modified zinc oxide nanofilms: A DFT study, Appl. Surf. Sci. 544 (2021). doi:10.1016/j.apsusc.2020.148868.

[9] K. Joonlasak, E.M. Batty, T. Kochakarn, B. Panthan, K. Kumpornsin, P. Jiaranai, A. Wangwiwatsin, A. Huang, N. Kotanan, P. Jaru-Ampornpan, W. Manasatienkij, T. Watthanachockchai, K. Rakmanee, A.R. Jones, S. Fernandez, I. Sensorn, S. Sungkanuparph, E. Pasomsub, C. Klungthong, T. Chookajorn, W. Chantratita, Genomic surveillance of SARS-CoV-2 in Thailand reveals mixed imported populations, a local lineage expansion and a virus with truncated ORF7a, VIRUS Res. 292 (2021). doi:10.1016/j.viruses.2020.198233.

[10] P. Plerdsranoy, N. Thaweelap, Y. Poo-arporn, P. Khajondetchairit, S. Suthirakun, I. Fongkaew, N. Chanlek, O. Utke, A. Pangon, R. Utke, Hydrogen adsorption of O/N-rich hierarchical carbon scaffold decorated with Ni nanoparticles: Experimental and computational studies, Int. J. Hydrogen Energy. 46 (2021) 5427–5440. doi:10.1016/j.ijhydene.2020.11.042.

[11] O. In-noi, P. Daorattanachai, C. Rungnim, K. Prasitnok, B. Rungtaweevoranit, K. Faungnawakij, P. Khemthong, Insight into Fructose Dehydration over Lewis Acid α-Cu2P2O7 Catalyst, ChemNanoMat. 7 (2021) 292–298. doi:https://doi.org/10.1002/cnma.202000634.

[12] P. Deetanya, K. Hengphasatporn, P. Wilasluck, Y. Shigeta, T. Rungrotmongkol, K. Wangkanont, Interaction of 8-anilinonaphthalene-1-sulfonate with SARS-CoV-2 main protease and its application as a fluorescent probe for inhibitor identification, Comput. Struct. Biotechnol. J. 19 (2021) 3364–3371. doi:10.1016/j.csbj.2021.05.0532001-0370/.

[13] A.M. Fiscarelli, M.R. Brust, R. Bouffanais, A. Piyatumrong, G. Danoy, P. Bouvry, Interplay between success and patterns of human collaboration: case study of a Thai Research Institute, Sci. Rep. 11 (2021) 318. doi:10.1038/s41598-020-79447-z.

[14] T. Roongcharoen, S. Impeng, C. Chitpakdee, T. Rungrotmongkol, T. Jitwatanasirikul, S. Jungsuttiwong, S. Namuangruk, Intrinsic property and catalytic performance of single and double metal atoms incorporated g-C3N4 for O-2 activation: A DFT insight, Appl. Surf. Sci. 541 (2021). doi:10.1016/j.apsusc.2020.148671.

[15]   P. Watthaisong, S. Suthirakun, P. Hirunsit, Mechanistic Study of the Effect of Epoxy Groups on Ethylene Carbonate Decomposition Reaction on Carbon Anodes of Sodium-Ion Batteries, J. Phys. Chem. C. 125 (2021) 8031–8044. doi:10.1021/acs.jpcc.0c10702.

[16]   N. Thaweelap, P. Plerdsranoy, Y. Poo-arporn, P. Khajondetchairit, S. Suthirakun, I. Fongkaew, P. Hirunsit, N. Chanlek, O. Utke, A. Pangon, R. Utke, Ni-doped activated carbon nanofibers for storing hydrogen at ambient temperature: Experiments and computations, FUEL. 288 (2021). doi:10.1016/j.fuel.2020.119608.

[17] A. Waehayee, C. Pongsawakul, A. Ngoipala, P. Phonsuksawang, A. Jiamprasertboon, S. Wannapaiboon, H. Nakajima, T. Butburee, S. Suthirakun, T. Siritanon, Promoting superoxide generation in Bi2WO6 by less electronegative substitution for enhanced photocatalytic performance: an example of Te doping, Catal. Sci. Technol. 11 (2021) 6291–6304. doi:10.1039/D1CY00739D.

[18]   R.J. Chimentao, P. Hirunsit, C.S. Torres, M.B. Ordono, A. Urakawa, J.L.G. Fierro, D. Ruiz, Selective dehydration of glycerol on copper based catalysts, Catal. TODAY. 367 (2021) 58–70. doi:10.1016/j.cattod.2020.09.031.

[19]   P. Sakdhnagool, M. Kunaseth, A. Piyatumrong, C. Rungnim, V. Jarerattanachat, W. Udomsiripinij, K. Tharatipayakul, T. Suwan, P. Srichaikul, TARA: A Year in Review, THAI J. Math. 19 (2021) 739–751.

[20]   R. Intayot, C. Rungnim, S. Namuangruk, N. Yodsin, S. Jungsuttiwong, Ti4-Decorated B/N-doped graphene as a high-capacity hydrogen storage material: a DFT study, Dalt. Trans. 50 (2021) 11398–11411. doi:10.1039/D1DT01498F.

[21]   S. Jankhunthod, C. Moonla, A. Watwiangkham, S. Suthirakun, T. Siritanon, S. Wannapaiboon, K. Ngamchuea, Understanding electrochemical and structural properties of copper hexacyanoferrate: Application in hydrogen peroxide analysis, Electrochim. Acta. 394 (2021) 139147. doi:10.1016/j.electacta.2021.139147.

[22]   V. Itthibenchapong, P. Chakthranont, C. Sattayanon, T. Butburee, K. Faungnawakij, S. Namuangruk, Understanding the promoter effect of bifunctional (Pt, Ni, Cu)-MoO3-x/TiO2 catalysts for the hydrodeoxygenation of p-cresol: A combined DFT and experimental study, Appl. Surf. Sci. 547 (2021). doi:10.1016/j.apsusc.2021.149170.

[23]   A. Plucksacholatarn, B. Tharat, S. Suthirakun, K. Faungnawakij, A. Junkaew, Theoretical insight into the interaction on Ni and Cu surfaces for HMF hydrogenation: a density functional theory study, New J. Chem. (2021). doi:10.1039/D1NJ04154A.


2020

[1] B. Nutho, P. Mahalapbutr, K. Hengphasatporn, N.C. Pattaranggoon, N. Simanon, Y. Shigeta, S. Hannongbua, T. Rungrotmongkol, Why are lopinavir and ritonavir effective against the newly emerged coronavirus 2019? Atomistic insights into the inhibitory mechanisms, Biochemistry. 59 (2020) 1769–1779. doi:10.1021/acs.biochem.0c00160.

[2] N. Yodsin, C. Rungnim, S. Tungkamani, V. Promarak, S. Namuangruk, S. Jungsuttiwong, DFT Study of Catalytic CO2 Hydrogenation over Pt-Decorated Carbon Nanocones: H2 Dissociation Combined with the Spillover Mechanism, J. Phys. Chem. C. 124 (2020) 1941–1949. doi:10.1021/acs.jpcc.9b08776.

[3] A. Ngoipala, L. Ngamwongwan, I. Fongkaew, S. Jungthawan, P. Hirunsit, S. Limpijumnong, S. Suthirakun, On the Enhanced Reducibility and Charge Transport Properties of Phosphorus-Doped BiVO4 as Photocatalysts: A Computational Study, J. Phys. Chem. C. 124 (2020) 4352–4362. doi:10.1021/acs.jpcc.9b09909.

[4] S. Thongratkaew, C. Luadthong, S. Kiatphuengporn, P. Khemthong, P. Hirunsit, K. Faungnawakij, Cu-Al spinel-oxide catalysts for selective hydrogenation of furfural to furfuryl alcohol, Catal. Today. (2020). doi:10.1016/j.cattod.2020.04.066.

[5] S. Impeng, T. Roongcharoen, P. Maitarad, H. Wu, C. Chitpakdee, V. Promarak, L. Shi, S. Namuangruk, High selective catalyst for ethylene epoxidation to ethylene oxide: A DFT investigation, Appl. Surf. Sci. 513 (2020). doi:10.1016/j.apsusc.2020.145799.

[6] D. Sompornpailin, C. Ratanatawanate, C. Sattayanon, S. Namuangruk, P. Punyapalakul, Selective adsorption mechanisms of pharmaceuticals on benzene-1,4-dicarboxylic acid-based MOFs: Effects of a flexible framework, adsorptive interactions and the DFT study, Sci. Total Environ. 720 (2020). doi:10.1016/j.scitotenv.2020.137449.

[7] P. Maitarad, A. Junkaew, V. Promarak, L. Shi, S. Namuangruk, Complete catalytic cycle of NO decomposition on a silicon-doped nitrogen-coordinated graphene: Mechanistic insight from a DFT study, Appl. Surf. Sci. 508 (2020). doi:10.1016/j.apsusc.2020.145255.

[8] T. Roongcharoen, S. Impeng, N. Kungwan, S. Namuangruk, Revealing the effect of N-content in Fe doped graphene on its catalytic performance for direct oxidation of methane to methanol, Appl. Surf. Sci. 527 (2020). doi:10.1016/j.apsusc.2020.146833.

[9] P. Phonsuksawang, P. Khajondetchairit, T. Butburee, S. Sattayaporn, N. Chanlek, P. Hirunsit, S. Suthirakun, T. Siritanon, Effects of Fe doping on enhancing electrochemical properties of NiCo2S4 supercapacitor electrode, Electrochim. Acta. 340 (2020) 135939. doi:10.1016/j.electacta.2020.135939.

[10] R. Salaeh, K. Faungnawakij, N. Kungwan, P. Hirunsit, The Role of Metal Species on Aldehyde Hydrogenation over Co13 and Ni13 Supported on γ-Al2O3 110) Surfaces: A Theoretical Study, ChemistrySelect. 5 (2020) 4058–4068. doi:10.1002/slct.202000324.

[11] J. Nootem, C. Sattayanon, S. Namuangruk, P. Rashatasakhon, W. Wattanathana, G. Tumcharern, K. Chansaenpak, Solvatochromic triazaborolopyridinium probes toward ultra-sensitive trace water detection in organic solvents, Dye. Pigment. 181 (2020). doi:10.1016/j.dyepig.2020.108554.

[12] Y. Wongnongwa, S. Jungsuttiwong, M. Pimsuta, P. Khemthong, M. Kunaseth, Mechanistic and thermodynamic insights into the deoxygenation of palm oils using Ni2P catalyst: A combined experimental and theoretical study, Chem. Eng. J. 399 (2020). doi:10.1016/j.cej.2020.125586.

[13] K. Ngamchuea, B. Tharat, P. Hirunsit, S. Suthirakun, Electrochemical oxidation of resorcinol: mechanistic insights from experimental and computational studies, RSC Adv. 10 (2020) 28454–28463. doi:10.1039/D0RA06111E.

[14]  N. Nisoh, V. Jarerattanachat, M. Karttunen, J. Wong-ekkabut, Formation of aggregates, icosahedral structures and percolation clusters of fullerenes in lipids bilayers: The key role of lipid saturation, Biochim. Biophys. Acta – Biomembr. 1862 (2020) 183328. doi:10.1016/j.bbamem.2020.183328

[15]  P. Mahalapbutr, N. Kongtaworn, T. Rungrotmongkol, Structural insight into the recognition of S-adenosyl-L-homocysteine and sinefungin in SARS-CoV-2 Nsp16/Nsp10 RNA cap 2′-O-Methyltransferase, Comput. Struct. Biotechnol. J. 18 (2020) 2757–2765. doi:10.1016/j.csbj.2020.09.032.

 

2019

[1] P. Reangchim, T. Saelee, V. Itthibenchapong, A. Junkaew, N. Chanlek, A. Eiad-ua, N. Kungwan, K. Faungnawakij, Role of Sn promoter in Ni/Al 2 O 3 catalyst for the deoxygenation of stearic acid and coke formation: experimental and theoretical studies, Catal. Sci. Technol. 9 (2019) 3361–3372. doi:10.1039/C9CY00268E.

[2] P. Watthaisong, S. Jungthawan, P. Hirunsit, S. Suthirakun, Transport properties of electron small polarons in a V2O5 cathode of Li-ion batteries: A computational study, RSC Adv. 9 (2019) 19483–19494. doi:10.1039/c9ra02923k.