연구단보: 신규 설계된 Cyclic Nitronate 염료분자의 분광특성과 잠재지문 현출성에 대한 접근
Technical Note : Spectroscopic Character of New Designed Cyclic Nitronate Dye Molecules, and Approach for the Detectability of Latent Fingerprints
0
조회
0
다운로드
1
인용
0
참고문헌
키워드
초록
새로운 이중성 fluoran leuco 계 염료로서 cyclic nitronate 유도체 (A 및 C) 를 Me too approach 방법 으로 설계하였다 . 이 염료 분자 (C1) 는 분광 특성으로 장 파장 (λ em. 850 nm) 영역에서 형광발광 (S 0 → S 1 ; π* → π) 과 큰 anti-Stokes shift interval ( Δ λ) 을 나타내었다 . 또한 , 소수성 C 분자에 의한 잠재지문 현출반응 과 관련된 소수성과 전산화학적인 방법에 따른 표적분자 간 FMO energy 차이 ( Δ E) 의 비교로부터 , C1 분자에 대한 반응성은 아미노산 (P) 이 지방산 (F) 보다 큰 경향이었다 . 그러므로 염료 (C1) 분자는 ninhydrin 대체 제로는 물론 , 감열지에서 소수성적인 친화력으로 최적화된 anti-Stokes shift 지문 현출제로 적합 할 것으로 예상되었다 .
Abstract
As a new amphoteric fluoran leuco family dye, the cyclic nitronates (A & C) are designed by Me too approach method. This dye molecule (C1) showed the fluorescence emission light (S 0 →S 1 ; π*→π) and large anti-Stokes shift interval ( Δ λ) in the long wavelength region (λ em . 850 nm) as spectroscopic character. Furthermore, from the comparison of hydrophobic and target intermolecular FMO energy differences ( Δ E) according to the computational chemistry method associated with the latent fingerprint detectable reaction by hydrophobic C molecule, reactivity to the C1 molecule was a tendency for amino acids (P) to be greater than fatty acids (F). Therefore, the dye (C1) molecules were predicted to suitable as a substitute agent for ninhydrin, as well as an anti-Stokes shift fingerprinting agent optimized for hydrophobic affinity on the thermal paper.
참고문헌 (19)
- TD Meyer, "Halochromic properties of sulfonphthaleine dyes in a textile environment: The influence of substituents", Dyes and Pigments, 124, pp.249~257 (2016)
- AR Leach, "An Introduction to Chemoinformatics", pp.104~122 (2003), Kluwer Academic Publishers
- 전우현, "새로운 anti-Stokes shift 지문 분말제로서 Cyclic Nitronates 염료의 분자설계와 잠재지문 현출성", 석사, pp.2021
- F Kang, "Correlation between structure and stability of nitronic acids and nitronic esters", Sc China Ser. B-Chem, 41, pp.504~509 (1998)
- EV Pospelov, "The Cyclic Nitronate Route to Pharmaceutical Molecules: Synthesis of GSK’s Potent PDE4 Inhibitor as a Case Study", Molecules, 25(16), pp.3613~3626 (2020)
- LG Zhuo, "A frontier molecular orbital theory approach to understanding the Mayr equation and to quantifying nucleophilicity and electrophilicity by using HOMO and LUMO energies", Asian J Org Chem, 1, pp.336~345 (2012)
- AD Beck, "Density functional thermochemistry. III. The role of exact exchange 98; 5648-5642", J Chem Phys, 103, pp.361~363 (1993)
- LG Zhuo, "A frontier molecular orbital theory approach to understanding the Mayr equation and to quantifying nucleophilicity and electrophilicity by using HOMO and LUMO energies", Asian J Org Chem, 1, pp.336~345 (2012)
- TD Meyer, "Substituent effects on absorption spectra of pH indicators: An experimental and computational study of sulfonphthalein dyes", Dyes and Pigments, 102, pp.241~250 (2014)
- "ACD", ChemSketch (Ver 14.0)
- J Fujisawa, "An unusual mechanism for HOMO-LUMO gap narrowing in a minimal near-IR dye generated by the deprotonation of bis (dicyanomethylene) indan", Chemical Physics Letters, 608, pp.355~359 (2014)
- TG Castro, "The Structural Properties of Odorants Modulate Their Association to Human Odorant Binding Protein", Biomolecules, 11, pp.145~160 (2021)
- AO Barel, "Handbook of Cosmetic Science and Technology", pp.692~693 (2009), Informa Healthcare. USA Inc
- RS Ramotowski, "Advances in Fingerprint Technology", pp.163~166 (2013), CRC Press
- 홍주은, "이중성 지문시약으로서 Ruhemann’s Purple 화합물과 그 금속이온착 화합물의 생성 반응성 및 DNA분자 보호 가능성", 과학수사학회지, 12(2), pp.69~79 (2018), 한국과학수사학회
- 엄창용, "습윤지수에 관한 QSPR 모델로 예측된 불소치환 비활성 용매 중에서 Dansyl 방법의 잠재지문 현출 효율성", 과학수사학회지, 10(1), pp.28~37 (2016), 한국과학수사학회
- OP Jasuja, "Development of latent fingermarks on thermal paper: Preliminary investigation into use of iodine fuming", Forensic Sci int’l, 192(1-3), pp.e11~e16 (2009)
- S Stojkovikj, "Visulization of latent fingermarks on the thermal paper: A new method based on nitrogen dioxide treat ment", Forensic Chem, 17, pp.100196~100220 (2020)
