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The research draws on experimental and theoretical data about energetics and kinetics of mass spectrometric (MS) reactions of glycyl homopenta– (G5) and glycyl homohexapeptides (G6). It shows the great applicability of the methods of quantum chemistry to predict MS profile of peptides using energetics of collision induced dissociation (CID) fragment species. Mass spectrometry is among irreplaceable...
The structure and properties of the 11 Camptothecin derivatives (CPTs) and their different mono‐, di‐, and triprotonated forms, depending on the number of proton accepting centers in the molecules are studied both theoretically and experimentally by quantum chemical approaches, electronic absorption, and CD spectroscopy. The study of the protonated forms of the CPTs and search of the electron‐withdrawing...
The conformational preference and electronic properties of three L‐tryptophyl‐containing dipeptides, i.e., glycyl‐L‐tryptophane (H‐Gly‐Trp‐OH), L‐alanyl‐L‐tryptophane (H‐Ala‐Trp‐OH), and L‐methionyl‐L‐tryptophane (L‐Met‐Trp‐OH) in solution depending on the pH of the media are studied both theoretically and experimentally. The effect of the protonation of the COO− and deprotonation of the NH as...
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