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Accurate enthalpies of formation are reported for known and potential astromolecules using high level ab initio quantum chemical calculations. A total of 130 molecules comprising of 31 isomeric groups and 24 cyanide/isocyanide pairs with…

Astrophysics of Galaxies · Physics 2016-10-03 Emmanuel E. Etim , Elangannan Arunan

Natural protein sequences that self-assemble to form globular structures are compact with high packing densities in the folded states. It is known that proteins unfold upon addition of denaturants, adopting random coil structures. The…

Biomolecules · Quantitative Biology 2016-12-02 Himadri S. Samanta , Pavel I. Zhuravlev , Michael Hinczewski , Naoto Hori , Shaon Chakrabarti , D. Thirumalai

Understanding how monomeric proteins fold under in vitro conditions is crucial to describing their functions in the cellular context. Significant advances both in theory and experiments have resulted in a conceptual framework for describing…

Soft Condensed Matter · Physics 2010-07-20 D. Thirumalai , Edward P. O'Brien , Greg Morrison , Changbong Hyeon

Amino acids are building-blocks of proteins, basic constituents of all organisms and essential to life on Earth. They are present in carbonaceous chondrite meteorites and comets, but their origin is still unknown. We present Spitzer…

Astrophysics of Galaxies · Physics 2023-01-19 Susana Iglesias-Groth

Currently, 163 isotopes of elements with Z $\ge$ 100 have been observed and the discovery of these isotopes is discussed here. For each isotope a brief synopsis of the first refereed publication, including the production and identification…

Nuclear Experiment · Physics 2015-06-04 M. Thoennessen

The problem of characterizing trees with minimal atom-bond-connectivity index (minimal-ABC trees) has a reputation as one of the most demanding recent open optimization problems in mathematical chemistry. Here firstly, we give an…

Combinatorics · Mathematics 2022-01-21 Darko Dimitrov , Zhibin Du

We derive the abundance of 19 elements in a sample of 64 stars with fundamental parameters very similar to solar, which minimizes the impact of systematic errors in our spectroscopic 1D-LTE differential analysis, using high-resolution…

Solar and Stellar Astrophysics · Physics 2009-12-10 I. Ramirez , J. Melendez , M. Asplund

The existence of various physical phenomena stems from the concept called asymptotic emergence, that is, they seem to be exclusively reserved for certain limiting theories. Important examples are spontaneous symmetry breaking (SSB) and…

Quantum Physics · Physics 2023-10-24 Christiaan J. F. van de Ven

We consider six isomeric groups (CH3N, CH5N, C2H5N, C2H7N, C3H7N and C3H9N) to review the presence of amines and aldimines within the interstellar medium (ISM). Each of these groups contains at least one aldimine or amine. Methanimine…

Astrophysics of Galaxies · Physics 2023-03-14 Milan Sil , Prasanta Gorai , Ankan Das , Bratati Bhat , Emmanuel E. Etim , Sandip K. Chakrabarti

In view of the critical behavior exhibited by a statistical model describing a one dimensional crystal containing isotopic impurities and the fact that for impurity mass parameter 3 times the host mass the critical temperature can attain…

Condensed Matter · Physics 2016-08-31 Carla Goldman , Robson Francisco de Souza

Using the subdivision schemes theory, we develop a criterion to check if any natural number has at most one representation in the $n$-ary number system with a set of non-negative integer digits $A=\{a_1, a_2,\ldots, a_n\}$ that contains…

Number Theory · Mathematics 2025-11-25 Sergei V. Konyagin , Vladimir Yu. Protasov , Alexey L. Talambutsa

Evolutionary crystal structure prediction proved to be a powerful approach for studying a wide range of materials. Here, we present a specifically designed algorithm for the prediction of the structure of complex crystals consisting of…

Materials Science · Physics 2012-05-21 Qiang Zhu , Artem R. Oganov , Colin W. Glass , Harold T. Stokes

A novel scheme is introduced to capture the spatial correlations of consecutive amino acids in naturally occurring proteins. This knowledge-based strategy is able to carry out optimally automated subdivisions of protein fragments into…

Soft Condensed Matter · Physics 2007-05-23 Cristian Micheletti , Flavio Seno , Amos Maritan

Currently, thirty-two zinc, thirty-two selenium, twenty-nine bromine and thirty-one neodymium isotopes have been observed and the discovery of these isotopes is discussed here. For each isotope a brief synopsis of the first refereed…

Nuclear Experiment · Physics 2010-12-10 J. L. Gross , J. Claes , J. Kathawa , M. Thoennessen

The intricate three-dimensional geometries of protein tertiary structures underlie protein function and emerge through a folding process from one-dimensional chains of amino acids. The exact spatial sequence and configuration of amino…

Biomolecules · Quantitative Biology 2021-02-24 Nora Molkenthin , Steffen Mühle , Antonia S J S Mey , Marc Timme

Mathematical and computational approaches in chemistry and biochemistry fill a gap in respect to the analysis of the physicochemical features of compounds and their functionality and provide an overview of known as well as yet unknown, but…

Biomolecules · Quantitative Biology 2025-03-14 Stefan Schuster , Tatjana Malycheva

While all the information required for the folding of a protein is contained in its amino acid sequence, one has not yet learned how to extract this information to predict the three--dimensional, biologically active, native conformation of…

Biomolecules · Quantitative Biology 2009-11-10 R. A. Broglia , G. Tiana

Nonaromatic amino acids are generally believed to be nonemissive, owing to their lack of apparently remarkable conjugation within individual molecules. Here we report the intrinsic visible emission of nonaromatic amino acids and poly(amino…

Chemical Physics · Physics 2017-06-13 Xiaohong Chen , Weijian Luo , Huili Ma , Qian Peng , Wang Zhang Yuan , Yongming Zhang

Natural protein sequences somehow encode the structural forms that these molecules adopt. Recent developments in structure-prediction are agnostic to the mechanisms by which proteins fold and represent them as static objects. However, the…

Biomolecules · Quantitative Biology 2025-05-26 Ezequiel A. Galpern , Federico Caamaño , Diego U. Ferreiro

Structures of chemical compounds can be synthesized and categorized through mathematical means. Organic compounds are suitable targets because of their simple valences. Acyclic organic compounds made of hydrogen and second-row elements C,…

Combinatorics · Mathematics 2013-01-08 Chin-yah Yeh