메뉴 건너뛰기




Volumn 38, Issue 3, 2012, Pages 405-413

First principles investigation of L-alanine in terahertz region

Author keywords

L alanine; Solid state theory; THz TDS

Indexed keywords

ALANINE;

EID: 84863874917     PISSN: 00920606     EISSN: 15730689     Source Type: Journal    
DOI: 10.1007/s10867-012-9261-0     Document Type: Article
Times cited : (29)

References (35)
  • 1
    • 0038373345 scopus 로고    scopus 로고
    • Terahertz time-domain spectroscopy of glucose and uric acid
    • Upadhya, P.C., Shen, Y.C., Davies, A.G., Linfield, E.H.: Terahertz time-domain spectroscopy of glucose and uric acid. J. Biol. Phys. 29, 117-121 (2003)
    • (2003) J. Biol. Phys. , vol.29 , pp. 117-121
    • Upadhya, P.C.1    Shen, Y.C.2    Davies, A.G.3    Linfield, E.H.4
  • 2
    • 33846623234 scopus 로고    scopus 로고
    • Terahertz time-domain spectroscopy of four hydroxycinnamic acid derivatives
    • Ge, M., Zhao, H.W., Wang, W.F., Zhang, Z.Y., Yu, X.H., Li, W.X.: Terahertz time-domain spectroscopy of four hydroxycinnamic acid derivatives. J. Biol. Phys. 32, 403-412 (2006)
    • (2006) J. Biol. Phys. , vol.32 , pp. 403-412
    • Ge, M.1    Zhao, H.W.2    Wang, W.F.3    Zhang, Z.Y.4    Yu, X.H.5    Li, W.X.6
  • 7
    • 0037382369 scopus 로고    scopus 로고
    • Using terahertz pulse spectroscopy to study the crystalline structure of a drug: A case study of the polymorphs of ranitidine hydrochloride
    • Taday, P.F., Bradley, I.V., Arnone, D.D., Pepper, M.: Using terahertz pulse spectroscopy to study the crystalline structure of a drug: a case study of the polymorphs of ranitidine hydrochloride. J. Pharm. Sci. 92, 831-838 (2003)
    • (2003) J. Pharm. Sci. , vol.92 , pp. 831-838
    • Taday, P.F.1    Bradley, I.V.2    Arnone, D.D.3    Pepper, M.4
  • 8
    • 70349764491 scopus 로고    scopus 로고
    • Investigation of (1R,2S)-(-)-Ephedrine by cryogenic terahertz spectroscopy and solid-state density functional theory
    • Hakey, P.M., Allis, D.G., Hudson, M.R., Ouellette, W., Korter, T.M.: Investigation of (1R,2S)-(-)-Ephedrine by cryogenic terahertz spectroscopy and solid-state density functional theory. ChemPhysChem 10, 2434-2444 (2009)
    • (2009) ChemPhysChem , vol.10 , pp. 2434-2444
    • Hakey, P.M.1    Allis, D.G.2    Hudson, M.R.3    Ouellette, W.4    Korter, T.M.5
  • 9
    • 1842615258 scopus 로고    scopus 로고
    • Non-destructive terahertz imaging of illicit drugs using spectral fingerprints
    • Kawase, K., Ogawa, Y., Watanabe, Y.: Non-destructive terahertz imaging of illicit drugs using spectral fingerprints. Opt. Express 11, 2549-2554 (2003)
    • (2003) Opt. Express , vol.11 , pp. 2549-2554
    • Kawase, K.1    Ogawa, Y.2    Watanabe, Y.3
  • 10
    • 33846213175 scopus 로고    scopus 로고
    • Research progress of terahertz wave technology in food inspection
    • Yan, Z.K., Ying, Y.B., Zhang, H.J., Yu, H.Y.: Research progress of terahertz wave technology in food inspection. Proc. SPIE 6373, 63730R (2006)
    • (2006) Proc. SPIE , vol.6373
    • Yan, Z.K.1    Ying, Y.B.2    Zhang, H.J.3    Yu, H.Y.4
  • 11
    • 34250712371 scopus 로고    scopus 로고
    • Far-infrared spectroscopic characterization of explosives for security applications using broadband terahertz time-domain spectroscopy
    • Fan, W.H., Burnett, A., Upadhya, P.C., Cunningham, J., Linfield, E.H., Davies, A.G.: Far-infrared spectroscopic characterization of explosives for security applications using broadband terahertz time-domain spectroscopy. Appl. Spectrosc. 61, 638-643 (2007)
    • (2007) Appl. Spectrosc. , vol.61 , pp. 638-643
    • Fan, W.H.1    Burnett, A.2    Upadhya, P.C.3    Cunningham, J.4    Linfield, E.H.5    Davies, A.G.6
  • 12
    • 0037444095 scopus 로고    scopus 로고
    • Noncovalent intermolecular forces in polycrystalline and amorphous saccharides in the far infrared
    • Walther, M., Fischer, B.M., Jepsen, P.U.: Noncovalent intermolecular forces in polycrystalline and amorphous saccharides in the far infrared. Chem. Phys. 288, 261-268 (2003)
    • (2003) Chem. Phys. , vol.288 , pp. 261-268
    • Walther, M.1    Fischer, B.M.2    Jepsen, P.U.3
  • 13
    • 0042910364 scopus 로고    scopus 로고
    • Far-infrared vibrational spectra of all-trans, 9-cis and 13-cis retinal measured by THz time-domain spectroscopy
    • Walther, M., Fischer, B.M., Schall, M., Helm, H., Jepsen, P.U.: Far-infrared vibrational spectra of all-trans, 9-cis and 13-cis retinal measured by THz time-domain spectroscopy. Chem. Phys. Lett. 332, 389-395 (2000)
    • (2000) Chem. Phys. Lett. , vol.332 , pp. 389-395
    • Walther, M.1    Fischer, B.M.2    Schall, M.3    Helm, H.4    Jepsen, P.U.5
  • 14
    • 0034740079 scopus 로고    scopus 로고
    • Neutron scattering, infrared, Raman spectroscopy and ab initio study of L-threonine
    • Pawlukojc, A., Leciejewicz, J., Tomkinson, J., Parker, S.F.: Neutron scattering, infrared, Raman spectroscopy and ab initio study of L-threonine. Spectrochim. Acta 57A, 2513-2523 (2001)
    • (2001) Spectrochim. Acta , vol.57 A , pp. 2513-2523
    • Pawlukojc, A.1    Leciejewicz, J.2    Tomkinson, J.3    Parker, S.F.4
  • 15
    • 0038373347 scopus 로고    scopus 로고
    • Terahertz pulse spectroscopy of biological materials: L-glutamic acid
    • Taday, P.F., Bradley, I.V., Arnone, D.D.: Terahertz pulse spectroscopy of biological materials: L-glutamic acid. J. Biol. Phys. 29, 109-115 (2003)
    • (2003) J. Biol. Phys. , vol.29 , pp. 109-115
    • Taday, P.F.1    Bradley, I.V.2    Arnone, D.D.3
  • 16
    • 25144473133 scopus 로고    scopus 로고
    • Collective vibrational spectra of α- And γ-glycine studied by terahertz and Raman spectroscopy
    • Shi, Y.L., Wang, L.: Collective vibrational spectra of α- and γ-glycine studied by terahertz and Raman spectroscopy. J. Phys. D: Appl. Phys. 38, 3741-3745 (2005)
    • (2005) J. Phys. D: Appl. Phys. , vol.38 , pp. 3741-3745
    • Shi, Y.L.1    Wang, L.2
  • 18
    • 78650513082 scopus 로고    scopus 로고
    • Molecular structure, vibrational spectra and nonlinear optical properties of L-valine hydrobromide: DFT study
    • Amalanathan, M., Joe, I.H., Rastogi, V.K.: Molecular structure, vibrational spectra and nonlinear optical properties of L-valine hydrobromide: DFT study. J. Mol. Struct. 985, 48-56 (2011)
    • (2011) J. Mol. Struct. , vol.985 , pp. 48-56
    • Amalanathan, M.1    Joe, I.H.2    Rastogi, V.K.3
  • 19
    • 25144444819 scopus 로고
    • Raman study of hydrogen bonding and long-wavelength lattice modes in an L-alanine single crystal
    • Wang, C.H., Storms, R.D.: Raman study of hydrogen bonding and long-wavelength lattice modes in an L-alanine single crystal. J. Chem. Phys. 55, 5110-5119 (1971)
    • (1971) J. Chem. Phys. , vol.55 , pp. 5110-5119
    • Wang, C.H.1    Storms, R.D.2
  • 20
    • 0010299457 scopus 로고
    • The temperature-dependence of the far-infrared spectra of L-alanine
    • Bandekar, J., Genzel, L., Kremer, F., Santo, L.: The temperature- dependence of the far-infrared spectra of L-alanine. Spectrochim. Acta 39A, 357-366 (1983)
    • (1983) Spectrochim. Acta , vol.39 A , pp. 357-366
    • Bandekar, J.1    Genzel, L.2    Kremer, F.3    Santo, L.4
  • 21
    • 18644363171 scopus 로고    scopus 로고
    • Terahertz absorption spectra of L-, D-, and DL-alanine and their application to determination of enantiometric composition
    • Yamaguchi, M., Miyamaru, F., Yamamoto, K., Tani, M., Hangyo, M.: Terahertz absorption spectra of L-, D-, and DL-alanine and their application to determination of enantiometric composition. Appl. Phys. Lett. 86, 053903 (2005)
    • (2005) Appl. Phys. Lett. , vol.86 , pp. 053903
    • Yamaguchi, M.1    Miyamaru, F.2    Yamamoto, K.3    Tani, M.4    Hangyo, M.5
  • 22
    • 84856710918 scopus 로고    scopus 로고
    • Chiral analysis of re-crystallized mixtures of D-, L-amino acid using terahertz spectroscopy.Malays
    • Sakamoto, T., Tanabe, T., Sasaki, T., Oyama, Y., Nishizawa, J., Kawanishi, T., Hiyama, Y.: Chiral analysis of re-crystallized mixtures of D-, L-amino acid using terahertz spectroscopy.Malays. J. Chemist. 11, 088-093 (2009)
    • (2009) J. Chemist. , vol.11 , pp. 088-093
    • Sakamoto, T.1    Tanabe, T.2    Sasaki, T.3    Oyama, Y.4    Nishizawa, J.5    Kawanishi, T.6    Hiyama, Y.7
  • 23
    • 64849110291 scopus 로고    scopus 로고
    • Qualitative analysis of collective mode frequency shifts in L-alanine using terahertz spectroscopy
    • Taulbee, A.R., Heuser, J.A., Spendel, W.U., Pacey, G.E.: Qualitative analysis of collective mode frequency shifts in L-alanine using terahertz spectroscopy. Anal. Chem. 81, 2664-2667 (2009)
    • (2009) Anal. Chem. , vol.81 , pp. 2664-2667
    • Taulbee, A.R.1    Heuser, J.A.2    Spendel, W.U.3    Pacey, G.E.4
  • 24
    • 77955592732 scopus 로고    scopus 로고
    • A study of vibrational spectra of L-,D-, DL-alanine in terahertz domain, spectroscopy and spectral analysis
    • Fu, R., Li, Z., Jin, B., Zhang, C., Dai, H., Xue, Y., Chen, J.: A study of vibrational spectra of L-,D-, DL-alanine in terahertz domain, spectroscopy and spectral analysis. Spectroscopy and Spectral Analysis 30, 2023-2026 (2010)
    • (2010) Spectroscopy and Spectral Analysis , vol.30 , pp. 2023-2026
    • Fu, R.1    Li, Z.2    Jin, B.3    Zhang, C.4    Dai, H.5    Xue, Y.6    Chen, J.7
  • 25
    • 4944257482 scopus 로고    scopus 로고
    • Dielectric and vibrational properties of amino acids
    • Tulip, P.R., Clark, S.J.: Dielectric and vibrational properties of amino acids. J. Chem. Phys. 121, 5201-5210 (2004)
    • (2004) J. Chem. Phys. , vol.121 , pp. 5201-5210
    • Tulip, P.R.1    Clark, S.J.2
  • 26
    • 70449638249 scopus 로고    scopus 로고
    • Characteristic research of photoconductive antenna for broadband THz generation
    • Xue, B., Fan,W.H., Yang, J., Liu, H.L., Zhang, T.Y.: Characteristic research of photoconductive antenna for broadband THz generation. Proc. SPIE 7385, 73851U (2010)
    • (2010) Proc. SPIE , vol.7385
    • Xue, B.1    Fan, W.H.2    Yang, J.3    Liu, H.L.4    Zhang, T.Y.5
  • 27
    • 0031552782 scopus 로고    scopus 로고
    • Free-space electro-optic sampling with a high-repetition-rate regenerative amplified laser
    • Lu, Z.G., Campbell, P., Zhang, X.C.: Free-space electro-optic sampling with a high-repetition-rate regenerative amplified laser. Appl. Phys. Lett. 71, 593-595 (1997)
    • (1997) Appl. Phys. Lett. , vol.71 , pp. 593-595
    • Lu, Z.G.1    Campbell, P.2    Zhang, X.C.3
  • 28
    • 23244460838 scopus 로고
    • Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
    • Perdew, J.P., Chevary, J.A., Vosko, S.H., Jackson, K.A., Pederson, M.R., Singh, D.J., Fiolhais, C.: Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation. Phys. Rev. B 46, 6671-6687 (1992)
    • (1992) Phys. Rev. B , vol.46 , pp. 6671-6687
    • Perdew, J.P.1    Chevary, J.A.2    Vosko, S.H.3    Jackson, K.A.4    Pederson, M.R.5    Singh, D.J.6    Fiolhais, C.7
  • 29
    • 0015515825 scopus 로고
    • Precision neutron diffraction structure determination of protein and nucleic acid components. I. The crystal and molecular structure of the amino acid L-alanine
    • Lehmann, M.S., Koetzle, T.F., Hamilton, W.C.: Precision neutron diffraction structure determination of protein and nucleic acid components. I. The crystal and molecular structure of the amino acid L-alanine. New J. Chem. 94, 2657-2660 (1972)
    • (1972) New J. Chem. , vol.94 , pp. 2657-2660
    • Lehmann, M.S.1    Koetzle, T.F.2    Hamilton, W.C.3
  • 30
    • 55149111352 scopus 로고    scopus 로고
    • Vibrational spectra of α-amino acids in the zwitterionic state in aqueous solution and the solid state: DFT calculations and the influence of hydrogen bonding
    • Chowdhry, B.Z., Dines, T.J., Jabeen, S., Withnall, R.: Vibrational spectra of α-amino acids in the zwitterionic state in aqueous solution and the solid state: DFT calculations and the influence of hydrogen bonding. J. Phys. Chem. A 112, 10333-10347 (2008)
    • (2008) J. Phys. Chem. A , vol.112 , pp. 10333-10347
    • Chowdhry, B.Z.1    Dines, T.J.2    Jabeen, S.3    Withnall, R.4
  • 32
    • 0742287392 scopus 로고    scopus 로고
    • Modified genetic algorithm to model crystal structures: III. Determination of crystal structures allowing simultaneous molecular geometry relaxation
    • Bazterra, V.E., Ferraro, M.B., Facelli, J.C.: Modified genetic algorithm to model crystal structures: III. Determination of crystal structures allowing simultaneous molecular geometry relaxation. Int. J. Quant. Chem. 96, 312-320 (2004)
    • (2004) Int. J. Quant. Chem. , vol.96 , pp. 312-320
    • Bazterra, V.E.1    Ferraro, M.B.2    Facelli, J.C.3
  • 33
    • 79251581587 scopus 로고    scopus 로고
    • Understanding the terahertz spectra of crystalline pharmaceuticals: Terahertz spectroscopy and solid-state density functional theory study of (S)-(+)-Ibuprofen and (RS)-Ibuprofen
    • King, M.D., Buchanan, W.D., Korter, T.M.: Understanding the terahertz spectra of crystalline pharmaceuticals: terahertz spectroscopy and solid-state density functional theory study of (S)-(+)-Ibuprofen and (RS)-Ibuprofen. J. Pharm. Sci. 100, 1116-1129 (2010)
    • (2010) J. Pharm. Sci. , vol.100 , pp. 1116-1129
    • King, M.D.1    Buchanan, W.D.2    Korter, T.M.3
  • 34
    • 68949110337 scopus 로고    scopus 로고
    • Investigation of crystalline 2-pyridone using terahertz spectroscopy and solid-state density functional theory
    • Motley, T., Allis, D.G., Korter, T.M.: Investigation of crystalline 2-pyridone using terahertz spectroscopy and solid-state density functional theory. Chem. Phys. Lett. 478, 166-171 (2009)
    • (2009) Chem. Phys. Lett. , vol.478 , pp. 166-171
    • Motley, T.1    Allis, D.G.2    Korter, T.M.3
  • 35
    • 33644781970 scopus 로고    scopus 로고
    • Solid-state modeling of the terahertz spectrum of the high explosive HMX
    • Allis, D.G., Prokhorova, D.A., Korter, T.M.: Solid-state modeling of the terahertz spectrum of the high explosive HMX. J. Phys. Chem. A 110, 1951-1959 (2006)
    • (2006) J. Phys. Chem. A , vol.110 , pp. 1951-1959
    • Allis, D.G.1    Prokhorova, D.A.2    Korter, T.M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.