Quantum-chemical approach to serine formation in the interstellar medium: A possible reaction pathway

Singh, Ashutosh Pratap; Gupta, Vikram; Misra, Alka; Tandon, Poonam

doi:10.1051/0004-6361/201118470

Cited by 11 publications

(8 citation statements)

References 65 publications

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“…The intrinsic conformational properties of such building blocks contribute to the functional specificity of proteins and polypeptides . Detailed conformational studies of natural amino acids are also essential to the search for prebiotic molecules. − Bada et al found traces of serine in meteorites, and quantum chemical computations showed that serine formation is possible in interstellar space …”

Section: Introductionmentioning

confidence: 99%

Conformers of Gaseous Serine

Allen

2016

J. Chem. Theory Comput.

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The myriad conformers of the neutral form of natural amino acid serine (Ser) have been investigated by systematic computations with reliable electronic wave function methods. A total of 85 unique conformers were located using the MP2/cc-pVTZ level of theory. The 12 lowest-energy conformers of serine fall within a 8 kJ mol(-1) window, and for these species, geometric structures, precise relative energies, equilibrium and vibrationally averaged rotational constants, anharmonic vibrational frequencies, infrared intensities, quartic and sextic centrifugal distortion constants, dipole moments, and (14)N nuclear quadrupole coupling constants were computed. The relative energies were refined through composite focal-point analyses employing basis sets as large as aug-cc-pV5Z and correlation treatments through CCSD(T). The rotational constants for seven conformers measured by Fourier-transform microwave spectroscopy are in good agreement with the vibrationally averaged rotational constants computed in this study. Our anharmonic vibrational frequencies are compared to the large number of experimental vibrational absorptions attributable to at least six conformers.

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Section: Introductionmentioning

confidence: 99%

Conformers of Gaseous Serine

Allen

2016

J. Chem. Theory Comput.

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“…We suggest that if a glycine radical, with radical center on the C α -atom, is also generated under similar conditions, this reactive C α -glycyl (H 2 N • CHCOOH) radical can open a door to interstellar natural amino acid synthesis. As an example, Singh et al suggested that serine can be synthesized in the interstellar medium (ISM) by the subsequent reactions of methylene (:CH 2 ) and hydroxyl ( • OH) radicals with C α -glycyl radical …”

mentioning

confidence: 99%

Non-energetic, Low-Temperature Formation of C_α-Glycyl Radical, a Potential Interstellar Precursor of Natural Amino Acids

Schneiker

Góbi

Joshi

et al. 2021

J. Phys. Chem. Lett.

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The reaction of H atoms with glycine was investigated at 3.1 K in para-H 2 , a quantum-solid host. The reaction was followed by IR spectroscopy, with the spectral analysis aided by quantum chemical computations. Comparison of the experimental IR spectrum with computed anharmonic frequencies and intensities proved that, regardless of the reactant glycine conformation, C α -glycyl radical is formed in an H-atom-abstraction process with great selectivity. The product of the second H-atom abstraction, iminoacetic acid, was also observed in a smaller amount. The C α -glycyl radical is sensitive to UV light and decomposes to iminoacetic acid and H atom upon 280 nm radiation. Since the reactive radical center is located on the C α -atom, it is suggested that natural α-amino acids can be formed from glycine via the C α -glycyl radical by non-energetic mechanisms in the solid phase of the interstellar medium.

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“…Shivani et al (2017) suggested, through DFT calculations, that the reaction between CH 3 CN, CH 3 CNH 2 and HCOOH could lead to the formation of Ala. The same group explored the possibility of Ser formation in the interstellar medium through detected interstellar molecules such as CH, CO, and OH by radical-radical and radicalneutral interactions in the gaseous phase using DFT at the B3LYP/6-311G+(2df,2p) level (Shivani et al 2014). The results were calibrated with higher-level M06 and M06-2X functional, suggesting that the proposed reactions with low potential barriers could occur in the ISM.…”

Section: B Chiral Alpha-amino Acidsmentioning

confidence: 99%

First Report of Root Rot Caused by Fusarium solani on Roselle in Nanning, Guangxi, China

Liao¹,

Hou²,

Tang³

et al. 2023

Plant Disease

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Roselle (Hibiscus sabdariffa L.) is an annual herbaceous plant in the Malvaceae family with high anthocyanin and is widely cultivated in Nanning, Guangxi of China due to its economic and nutritional importance. In August 2021, a severe root rot disease with incidence of 42.4% (860 plants in the field) was observed in roselle plants in an open-field crop in Nanning (108°33"E, 22°84"N), Guangxi, China. The roots of the diseased plants were discolored and rotten, and the xylem became black, extending along the main root to the junction of the rhizomes. The above-ground symptoms were leaf yellowing, vascular tissue browning, wilting and death. Three diseased samples were rinsed thoroughly with sterile distilled water, cut with a sterile scalpel into approximately 0.5-cm pieces, surface disinfested with 75% ethanol for one minute, rinsed 3-4 times with sterile water, and finally incubated on potato dextrose agar (PDA) at 28 °C in the dark for 3 days. Emerging colonies were transferred to new PDA two-three times until a single colony was obtained. The aerial mycelium was initially white, turning pale yellow after 5 days of growth on PDA. Microscopic observations revealed that microconidia were hyaline and ovoid with sizes of 5.13 to 15.12 and 2.50 to 4.20 μm (average 9.02, 3.32 μm, n=30). Macroconidia were falciform with 3- to 4-septate, with sizes of 19.08 to 24.35 and 4.5 to 8.00 μm (average 24.35 and 5.23 μm, n=30). The morphological characteristics of the microscopic images were identical to those described for Fusarium solani (Leslie and Summerell 2006). A representative isolate (GXRST29) was selected for DNA extraction for further characterization. The internal transcribed spacer rRNA regions (ITSs), beta tubulin gene sequence and a fragment of the translation elongation factor 1-alpha (EF 1-α) gene sequence were amplified using the primer pairs ITS1/ITS4 (Chehri 2014), Bt-1/Bt-2 (Wang et al. 2014) and EF1-F/EF2-R (O'Donnell et al. 2010), respectively. PCR products were sequenced and deposited in GenBank (accession Nos. OL314654, ON157430 and ON157431, respectively). BLASTn analysis showed that the ITS sequence had 96.99% homology with sequence of F. solani (NR 163531), and 99.26% for Fusarium cf. solani (MG775565) obtained from Homo sapiens. The beta tubulin sequence had 97.96% similarity with BLAST sequence of F. solani (MN295052.1) and EF 1-α gene had 100% identity to published F. solani (MN977912.1). The fungus was identified as F. solani. Five roselle plants at the 5-leaf stage were artificially inoculated by root dipping into a 106-107-mL-1 spore suspension of the isolated GXRST29 for pathogenicity testing. The experiment was conducted three times, and the negative controls were replaced with sterile water. Compared to the control, the growth of plants was significantly inhibited, leaves turned yellow, plants dwarfed and wilted, and roots decayed three days post-inoculation. One week post-inoculation, all plants exhibited symptoms similar to those observed in the field, and F. solani was steadily reisolated from those diseased plants, while no positive isolations were obtained in the controls. F. solani has been reported to cause root rot on roselle in Upper Egypt (Hassan et al. 2014) and lisianthus in China (Xiao et al. 2018). To our knowledge, however, this is the first report of Fusarium wilt caused by F. solani in roselle plants in Nanning, Guangxi, China, and could result in severe crop losses.

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Quantum-chemical approach to serine formation in the interstellar medium: A possible reaction pathway

Cited by 11 publications

References 65 publications

Conformers of Gaseous Serine

Conformers of Gaseous Serine

Non-energetic, Low-Temperature Formation of C_α-Glycyl Radical, a Potential Interstellar Precursor of Natural Amino Acids

First Report of Root Rot Caused by Fusarium solani on Roselle in Nanning, Guangxi, China

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Quantum-chemical approach to serine formation in the interstellar medium: A possible reaction pathway

Cited by 11 publications

References 65 publications

Conformers of Gaseous Serine

Conformers of Gaseous Serine

Non-energetic, Low-Temperature Formation of Cα-Glycyl Radical, a Potential Interstellar Precursor of Natural Amino Acids

First Report of Root Rot Caused by Fusarium solani on Roselle in Nanning, Guangxi, China

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Non-energetic, Low-Temperature Formation of C_α-Glycyl Radical, a Potential Interstellar Precursor of Natural Amino Acids