2021
DOI: 10.1016/j.molstruc.2021.131176
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Prediction of electronic and vibrational properties of poly (hexamethylene biguanide) hydrochloride: A combined theoretical and experimental investigation

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Cited by 5 publications
(3 citation statements)
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“…This accounts for the chemical stability of PHMB, with the characteristics of insulator materials. In this regard, Rodrigues et al 27 had similar observations to Celik and Tanıs 30 and reached the same conclusion.…”
Section: Phmb: Synthesis and Chemical Modificationsupporting
confidence: 65%
See 1 more Smart Citation
“…This accounts for the chemical stability of PHMB, with the characteristics of insulator materials. In this regard, Rodrigues et al 27 had similar observations to Celik and Tanıs 30 and reached the same conclusion.…”
Section: Phmb: Synthesis and Chemical Modificationsupporting
confidence: 65%
“…2b). 27 The first imino group can generally be protonated at pH ≈ 11 and the other one at about 2.5, which means PHMB is in the monoprotonated form at a physiological pH. 28 Also, PHMB was suggested to be used as a chelating agent to interact with metallic ions.…”
Section: Phmb: Synthesis and Chemical Modificationmentioning
confidence: 99%
“…Due to the unique molecular structural properties (e.g., the rigid active biguanide moieties and flexible alkyl linking groups), PHMB exhibits self-folding behavior enthalpically driven by the like-charge pairing of the biguanide units, making the adsorption reaction a fast kinetic process 8 . The significant HOMO-LUMO energy gap of PHMB also favors its stable chemical skeleton and thermal stability 9 . Also, the biguanide group has three tautomeric resonance forms, which implies that biguanide-bearing cationic polyelectrolytes, including PHMB, have high proton mobility and pH-tolerant properties owing to the delocalization of charges [10][11][12] .…”
Section: Introductionmentioning
confidence: 99%