Terahertz: dictating the frequency of life. Do macromolecular vibrational modes impose thermal limitations on terrestrial life?

Kieran Hand  and Edwin Yates

https://royalsocietypublishing.org/doi/full/10.1098/rsif.2017.0673

Conditions on exoplanets include elevated temperatures and pressures. The response of carbon-based biological macromolecules to such conditions is then relevant to the viability of life. The capacity of proteins and ribozymes to catalyse reactions or bind receptors, and nucleic acids to convey information, depends on them sampling different conformational states. These are determined by macromolecular vibrational states, or phonon modes, accessible using terahertz (THz: 1012Hz) absorption spectroscopy. THz spectra of biological macromolecules exhibit broad absorption at approximately 6 THz (equating to approx. 280 K) corresponding to dense transitions between phonon modes. There are also troughs at approximately 10 THz (approx. 500 K) implying diminishing numbers of available conformational states at higher temperatures; hence, fewer routes by which biochemical processes can be realized, as equilibrium is approached. Could this conformational bottleneck hinder the operation of biological macromolecules at higher temperatures? We suggest that the troughs at approximately 10 THz in absorbance spectra indicate that the hydrogen bonds, charge interactions and geometry of biological macromolecules associated with terrestrial life impose fundamental vibrational properties that could limit the upper temperature at which they may function.

Abstract-Experimental and Theoretical Study on Terahertz Absorption Characteristics and Spectral De-noising of Three Plant Growth Regulators

Fangfang Qu, 

Yi Pan, 

Lei Lin, 

Chengyong Cai, 

Tao Dong, 

Yong He, 

Pengcheng Nie, 

https://link.springer.com/article/10.1007%2Fs10762-018-0507-1
Accurate identification of terahertz (THz) absorption peaks of biological macromolecules is of great significance in practical applications. In this work, the experimental and theoretical fundamentals of detecting three plant growth regulators (PGRs), including 6-Benzylaminopurine (6-BA), paclobutrazol (PBZ), and maleic hydrazide (MH) were investigated by using THz time-domain spectroscopy (THz-TDS). THz absorption coefficient and refractive index in frequencies of 0.06–4 THz were obtained. The wavelet threshold de-noising (WTD) method was used to remove spectral noise and improve the signal-to-noise ratio (SNR). The density functional theory (DFT) was applied to the molecular characterization and theoretical calculation of PGRs. Experimental results showed that the three PGRs had unique characteristic absorption peaks. Based on the sym4 wavelet function and four-layer wavelet decomposition, the de-noising performance of hard threshold WTD was better than that of soft threshold WTD. The spectra processed by hard threshold de-noising achieved higher peak SNR (6-BA: 40.22, PBZ: 37.73, MH: 34.83) and lower root mean square error (6-BA: 0.41, PBZ:0.40, MH:0.54). In addition, the characteristic absorption and anomalous dispersion of 6-BA were found at 2.08 and 3.00 THz, those of PBZ were shown at 0.71, 1.30, 1.88, and 2.67 THz, and those of MH were shown at 2.34 THz. The absorption peaks in THz spectra processed by hard threshold WTD were demonstrated to be in good agreement with the simulation results of DFT. These results show the effectiveness of WTD in THz spectral de-noising and the feasibility of using THz-TDS to detect PGRs.