PMID- 36996517
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20230430
LR  - 20230430
IS  - 1873-3557 (Electronic)
IS  - 1386-1425 (Linking)
VI  - 296
DP  - 2023 Aug 5
TI  - Structures of water on the surface of anatase TiO(2) studied by diffuse 
      reflectance near-infrared spectroscopy.
PG  - 122674
LID - S1386-1425(23)00359-1 [pii]
LID - 10.1016/j.saa.2023.122674 [doi]
AB  - Investigating the structures of water on metal oxides is helpful for 
      understanding the mechanism of the adsorptions in the presence of water. In this 
      work, the structures of adsorbed water molecules on anatase TiO(2) (101) were 
      studied by diffuse reflectance near-infrared spectroscopy (DR-NIRS). With 
      resolution enhanced spectrum by continuous wavelet transform (CWT), the spectral 
      features of adsorbed water at different sites were found. In the spectrum of 
      dried TiO(2) powder, there is only the spectral feature of the water adsorbed at 
      5-coordinated titanium atoms (Ti(5c)). With the increase of the adsorbed water, 
      the spectral feature of the water at 2-coordinated oxygen atoms (O(2c)) emerges 
      first, and then that of the water interacting with the adsorbed water can be 
      observed. When adenosine triphosphate (ATP) was adsorbed on TiO(2), the intensity 
      of the peaks related to the adsorbed water decreases, indicating that the 
      adsorbed water is replaced by ATP due to the strong affinity to Ti(5c). 
      Therefore, there is a clear correlation between the peak intensity of the 
      adsorbed water and the adsorbed quantity of ATP. Water can be a NIR spectroscopic 
      probe to detect the quantity of the adsorbed ATP. A partial least squares (PLS) 
      model was established to predict the content of adsorbed ATP by the spectral 
      peaks of water. The recoveries of validation samples are in the range of 
      92.00-114.96% with the relative standard deviations (RSDs) in a range of 
      2.13-5.82%.
CI  - Copyright (c) 2023 Elsevier B.V. All rights reserved.
FAU - Su, Changlin
AU  - Su C
AD  - Research Center for Analytical Sciences, Frontiers Science Center for New Organic 
      Matter, College of Chemistry, Tianjin Key Laboratory of Biosensing and Molecular 
      Recognition, State Key Laboratory of Medicinal Chemical Biology, Nankai 
      University, Tianjin 300071, China; Haihe Laboratory of Sustainable Chemical 
      Transformations, Tianjin 300192, China.
FAU - Han, Li
AU  - Han L
AD  - Research Center for Analytical Sciences, Frontiers Science Center for New Organic 
      Matter, College of Chemistry, Tianjin Key Laboratory of Biosensing and Molecular 
      Recognition, State Key Laboratory of Medicinal Chemical Biology, Nankai 
      University, Tianjin 300071, China; Haihe Laboratory of Sustainable Chemical 
      Transformations, Tianjin 300192, China.
FAU - An, Hongle
AU  - An H
AD  - Research Center for Analytical Sciences, Frontiers Science Center for New Organic 
      Matter, College of Chemistry, Tianjin Key Laboratory of Biosensing and Molecular 
      Recognition, State Key Laboratory of Medicinal Chemical Biology, Nankai 
      University, Tianjin 300071, China; Haihe Laboratory of Sustainable Chemical 
      Transformations, Tianjin 300192, China.
FAU - Cai, Wensheng
AU  - Cai W
AD  - Research Center for Analytical Sciences, Frontiers Science Center for New Organic 
      Matter, College of Chemistry, Tianjin Key Laboratory of Biosensing and Molecular 
      Recognition, State Key Laboratory of Medicinal Chemical Biology, Nankai 
      University, Tianjin 300071, China; Haihe Laboratory of Sustainable Chemical 
      Transformations, Tianjin 300192, China.
FAU - Shao, Xueguang
AU  - Shao X
AD  - Research Center for Analytical Sciences, Frontiers Science Center for New Organic 
      Matter, College of Chemistry, Tianjin Key Laboratory of Biosensing and Molecular 
      Recognition, State Key Laboratory of Medicinal Chemical Biology, Nankai 
      University, Tianjin 300071, China; Haihe Laboratory of Sustainable Chemical 
      Transformations, Tianjin 300192, China. Electronic address: xshao@nankai.edu.cn.
LA  - eng
PT  - Journal Article
DEP - 20230325
PL  - England
TA  - Spectrochim Acta A Mol Biomol Spectrosc
JT  - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
JID - 9602533
SB  - IM
OTO - NOTNLM
OT  - Adsorbed water
OT  - Anatase TiO(2)
OT  - Diffuse reflectance near-infrared spectroscopy
OT  - Quantitative detection
OT  - Spectral probe
COIS- Declaration of Competing Interest The authors declare that they have no known 
      competing financial interests or personal relationships that could have appeared 
      to influence the work reported in this paper.
EDAT- 2023/03/31 06:00
MHDA- 2023/03/31 06:01
CRDT- 2023/03/30 18:00
PHST- 2022/12/15 00:00 [received]
PHST- 2023/03/05 00:00 [revised]
PHST- 2023/03/24 00:00 [accepted]
PHST- 2023/03/31 06:01 [medline]
PHST- 2023/03/31 06:00 [pubmed]
PHST- 2023/03/30 18:00 [entrez]
AID - S1386-1425(23)00359-1 [pii]
AID - 10.1016/j.saa.2023.122674 [doi]
PST - ppublish
SO  - Spectrochim Acta A Mol Biomol Spectrosc. 2023 Aug 5;296:122674. doi: 
      10.1016/j.saa.2023.122674. Epub 2023 Mar 25.