Structure analysis of proteins, peptides and metal complexes by vibrational circular dichroism

There are two principal forms of vibrational optical activity (VOA), an IR form referred to as vibrational circular dichroism (VCD) and Raman form known as Raman optical activity (ROA). This paper reports examples of the application of VCD spectroscopy for the determination of the absolute configuration and conformation of chiral molecules, e. g. cyclic beta-lactams. VCD spectroscopy can be applied for the characterization of the conformation of proteins and peptides in solution. VCD based conformational analysis of cyclic peptides is discussed. Examples are the cyclic hexapeptide cyclo(Pro(2)-Gly-Pro(2)-Gly) and cyclic peptides comprising beta-homoamino acids (trans-2-aminocyclopentane or trans-2-aminocyclohexane carboxylic acid). Structure analysis by VCD of opiate peptides, glycopeptides, peptidomimetics and chiral transition metal complexes are also discussed

Ion binding properties in acetonitrile of cyclo‐peptides built u from proline and glycine residues

Ion binding properties of antamanide‐like cyclopeptides cyclo‐(Pro2–Glyn‐Pro2–Glym) (n, m = 1–3) have been studied by CD spectroscopy and by conductivity measurements. Cyclo‐(Pro2–Gly‐Pro2–Gly) forming complexes of different stoichiometry can be characterized by a strong preference of selectivity for Mg++ and Ca++ ions over alkali ions whereas the other members of the series bind selectively alkali and alkaline earth cations with ion radius of about 1 Å. Three main types of CD spectra of cyclic peptides and their complexes can be differentiated. Type I showing two negative Cotton effects at around 220 nm and 200 nm (Ib, Fig. 3), type II showing a positive band around 220 nm and a strong negative one below 190 nm (e.g. Ic in acetonitrile, Fig. 4), and type III showing a strong negative band in the 205 nm region (e.g. metal complexes of Id, Fig. 6)

The effect of ethanol on lactate and base deficit as predictors of morbidity and mortality in trauma

Objective—The objective of this study was to assess the predictive value of lactate and base deficit in determining outcomes in trauma patients who are positive for ethanol. Methods—Retrospective cohort study of patients admitted to a level 1 trauma center between 2005 and 2014. Adult patients who had a serum ethanol, lactate, base deficit, and negative urine drug screen obtained upon presentation were included. Results—Data for 2482 patients were analyzed with 1127 having an elevated lactate and 1092 an elevated base deficit. In these subgroups, patients with a positive serum ethanol had significantly lower 72-hour mortality, overall mortality, and hospital length of stay compared with the negative ethanol group. Abnormal lactate (odds ratio [OR], 2.607; 95% confidence interval [CI], 1.629– 4.173; P = .000) and base deficit (OR, 1.917; 95% CI, 1.183–3.105; P = .008) were determined to be the strongest predictors of mortality in the ethanol-negative patients. Injury Severity Score was found to be the lone predictor of mortality in patients positive for ethanol (OR, 1.104; 95% CI, 1.070–1.138; P=.000). Area under the curve and Youden index analyses supported a relationship between abnormal lactate, base deficit, and mortality in ethanol-positive patients when the serum lactate was greater than 4.45 mmol/L and base deficit was greater than −6.95 mmol/L. Conclusions—Previously established relationships between elevated lactate, base deficit, and outcome do not remain consistent in patients presenting with positive serum ethanol concentrations. Ethanol skews the relationship between lactate, base deficit, and mortality thus resetting the threshold in which lactate and base deficit are associated with increased mortality