Decarboxylation of glycine on icy grain surfaces: a first-principle investigation

NF Xavier Jr, AM da Silva Jr, M Sacchi… - Monthly Notices of the …, 2022 - academic.oup.com
Much effort has been devoted to the investigation of the reactivity of glycine, the smallest
amino acid, in different environments in the interstellar medium (ISM). While the formation …

What Rules the Relative Stability of α-, β-, and γ-Glycine Polymorphs?

NF Xavier Jr, AM da Silva Jr… - Crystal Growth & …, 2020 - ACS Publications
Theoretical calculations based on the density functional theory, using the PBE functional
with the D3 dispersion correction under periodic boundary conditions, have been employed …

Chemical mechanism for the decomposition of CH3NH2 and implications to interstellar glycine

DN de Jesus, JMBA da Silva, TN Tejero… - Monthly Notices of …, 2021 - academic.oup.com
Complex organic molecules from extraterrestrial source are expected to have contributed to
the Early Earth chemistry. Methylamine (CH3NH2) has already been observed in the …

Intermolecular hydrogen bonding behavior of amino acid radical cations

I Moppel, BA Elliott, S Chen - Organic & Biomolecular Chemistry, 2024 - pubs.rsc.org
Amino acid and peptide radicals are of broad interest due to their roles in biochemical
oxidative damage, pathogenesis and protein radical catalysis, among others. Using density …

Structure, stability, and spectroscopic properties of small acetonitrile cation clusters

HBA Cerqueira, JC Santos, F Fantuzzi… - The Journal of …, 2020 - ACS Publications
Ionization and fragmentation pathways induced by ionizing agents are key to understanding
the formation of complex molecules in astrophysical environments. Acetonitrile (CH3CN) …

Determination of the Cohesive Properties and Sublimation Temperatures of Glycine Polymorphs

NF Xavier Jr, GF Bauerfeldt - Crystal Growth & Design, 2021 - ACS Publications
The experimental data of sublimation properties is limited to important materials,
encouraging the development and assessment of theoretical models. Here, such properties …

Elementary reactions for glycine production in hot and dense interstellar media from , HCOOH, and

CH Pinto, IS Vieira, RFK Spada - Journal of Molecular Modeling, 2025 - Springer
Context In this work, we investigate three elementary reactions involved in the production of
glycine in the interstellar medium (ISM) employing trustworthy electronic structure and …

Formation of aminomethanol in ammonia-water interstellar ice

KK Singh, P Tandon, R Kumar, A Misra… - Monthly Notices of …, 2021 - academic.oup.com
Aminomethanol is an important precursor of interstellar glycine. A two-step formation
pathway has been proposed for aminomethanol in interstellar ice via reaction between CH+ …

Dynamics and mechanisms of nonradiative photodissociation of glycine: A theoretical study

J Nirasok, P Panajapo, P Promma… - … of Photochemistry and …, 2023 - Elsevier
Photochemistry of small biomolecules is fundamental to understand the photochemical
reactions of larger molecules, such as proteins. In this work, the dynamics and mechanisms …

Quantum chemistry and metadynamics study of kinetic routes to alanine formation by CO or CO2 insertions in E- or Z-ethanimine isomers

MAR Nogueira-da-Silva, ND Coutinho… - … Lincei. Scienze Fisiche …, 2023 - Springer
Investigations of the synthesis of amino acids are crucial to the understanding of the
chemical evolution of life and are of applied interest in biochemistry and pharmaceutical …