In this paper, we describe a new method to obtain D2O/H2O exchange in photosynthetic reaction centres from Rhodobacter sphaeroides. The method is characterized by: (i) a very high efficiency of the isotopic replacement; (ii) an extremely low amount of D2O needed; (iii) the short time required for dehydration and D2O rehydration; (iv) the possibility of controlling concomitantly the hydration state of the sample. The proposed method can be applied to other proteins.

Marco Malferrari

Giovanni Venturoli

Francesco Francia

Alberto Mezzetti

A New Method for <svg style="vertical-align:-3.27605pt" height="15.5125" version="1.1" viewBox="0 0 31.65 15.5125" width="31.65" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns="http://www.w3.org/2000/svg"><g transform="matrix(.017,-0,0,-.017,.062,11.363)"><path id="x44" d="M43 650h280q194 0 282 -85q85 -82 85 -215q0 -173 -123 -267q-107 -83 -297 -83h-236v27q65 5 79.5 19.5t14.5 77.5v402q0 45 -6 62.5t-21.5 24t-57.5 9.5v28zM213 547v-416q0 -55 24.5 -75t81.5 -20q133 0 203 86t70 214q0 80 -30 143t-88 97q-66 41 -170 41q-62 0 -78 -13q-13 -9 -13 -57z"/></g><g transform="matrix(.012,-0,0,-.012,12.562,15.45)"><path id="x32" d="M412 140l28 -9q0 -2 -35 -131h-373v23q112 112 161 170q59 70 92 127t33 115q0 63 -31 98t-86 35q-75 0 -137 -93l-22 20l57 81q55 59 135 59q69 0 118.5 -46.5t49.5 -122.5q0 -62 -29.5 -114t-102.5 -130l-141 -149h186q42 0 58.5 10.5t38.5 56.5z"/></g><g transform="matrix(.017,-0,0,-.017,18.888,11.363)"><path id="x4F" d="M381 665q131 0 226.5 -93t95.5 -239q0 -158 -96 -253t-238 -95q-137 0 -231 95t-94 238q0 142 92.5 244.5t244.5 102.5zM359 629q-89 0 -151 -74.5t-62 -208.5q0 -141 69 -233t175 -92q90 0 150.5 74t60.5 211q0 152 -69 237.5t-173 85.5z"/></g></svg>/<svg style="vertical-align:-3.27605pt" height="15.5125" version="1.1" viewBox="0 0 32.174999 15.5125" width="32.174999" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns="http://www.w3.org/2000/svg"><g transform="matrix(.017,-0,0,-.017,.062,11.363)"><path id="x48" d="M729 650v-28q-62 -5 -76 -19.5t-14 -75.5v-404q0 -62 13.5 -76t75.5 -19v-28h-268v28q65 5 79.5 19t14.5 76v199h-341v-199q0 -62 14 -76t76 -19v-28h-263v28q61 5 74.5 19t13.5 76v404q0 62 -14 76t-76 19v28h259v-28q-58 -5 -71 -19t-13 -76v-162h341v162q0 61 -13.5 75.5t-72.5 19.5v28h261z"/></g><g transform="matrix(.012,-0,0,-.012,13.087,15.45)"><use xlink:href="#x32"/></g><g transform="matrix(.017,-0,0,-.017,19.412,11.363)"><use xlink:href="#x4F"/></g></svg> Exchange in Infrared Spectroscopy of Proteins

This paper describes a metabonomics study of 2nd trimester biofluids (amniotic fluid, maternal urine, and blood plasma), in an attempt to correlate biofluid metabolic changes with suspected/diagnosed fetal malformations (FM) and chromosomal disorders as well as with later occurring gestational diabetes mellitus (GDM), preterm delivery (PTD), and premature rupture of membranes (PROM). The global biochemical picture given by the threesome of biofluids should enable the definition of potential disease signatures and unveil potential metabolite markers for clinical use in predictive prenatal diagnostics. Results show that relatively strong metabolic disturbances accompany FM, reflected in all three biofluids and thus suggesting the involvement of both fetal and maternal metabolisms. Regarding GDM, amniotic fluid and maternal urine seem potential good media to detect early metabolic changes, and PTD subjects show small metabolite changes in the same biofluids, undergoing work being focused on plasma composition. Chromosomal disorders show an interestingly marked effect on maternal urine, whereas no statistically relevant early changes have been observed for PROM subjects. Interestingly, in the case of FM and chromosomal disorders, maternal biofluids show some sensitivity to disorder type, for example, for central nervous system malformations and trisomy 21, respectively. These results show the usefulness of biofluid metabonomics to probe overall metabolic disturbances in relation to prenatal disorders.

Gonçalo Graça

Sílvia O. Diaz

Joana Pinto

António S. Barros

Iola F. Duarte

Brian J. Goodfellow

Eulália Galhano

Cristina Pita

Maria do Céu Almeida

Isabel M. Carreira

Ana M. Gil

Can Biofluids Metabolic Profiling Help to Improve Healthcare during Pregnancy?

The aim of the present study is to evaluate the differences on FTIR spectra of the normal lung cell (noncancerous mice lung epithelial cell line e10) due to different fixation protocols for histological processing. The results shown that formalin and methacarn (normally used in fixation) did cause many changes on the FTIR spectra of mice lung cells e10, mainly in the organic compounds (800–1800 cm−1) in lipids, DNA, and proteins, and the alcohol 70% fixation protocol caused almost no changes on the FTIR spectra compared to unfixed cells spectra (in PBS). It can be concluded that histological processing with alcohol 70% fixation protocol can be used in the FTIR study of mice lung cell line e10.

Thiago Martini Pereira

Maria Lucia Zaidan Dagli

Grégory Mennecier

Denise Maria Zezell

Influence of Fixation Products Used in the Histological Processing in the FTIR Spectra of Lung Cells

We investigated distribution of phosphorus under manganese toxicity in different tissues of 10 μm thin-root cross-section of Douglas fir (DF) (Pseudotsuga menziesii) seedlings by using synchrotron-based Fourier transform infrared microscopy (SR-FTIR) as a chemically sensitive imaging method. Manganese is an essential micronutrient in all organisms but may become toxic when present in excess. We found previously that DF variety glauca (DFG) and variety menziesii (DFM) differed in phosphorus uptake, subcellular localization, transport and tissue allocation, as an effect of manganese toxicity. To address the role of P in seedling tolerance under Mn toxicity, we determined P allocation in different root tissues. In DFG, but not in DFV, the P concentration was kept at a constant level even under Mn toxicity. Earlier X-ray microanalysis showed Mn accumulation in epidermal and cortical cells of both varieties after Mn treatment, suggesting that the root endodermis was a barrier for Mn to protect the vascular system and shoot from high Mn, with possible role of P ameliorations. Here, we discuss the potential role of P in Mn compartmentalization and toxicity tolerance in two different varieties.

Tanja Du&#x10d;i&#x107;

Jürgen Thieme

Andrea Polle

Phosphorus Compartmentalization on the Cellular Level of Douglas Fir Root as Affected by Mn Toxicity: A Synchrotron-Based FTIR Approach

Folding dynamics for &#x3b2;-structure loss and disordered structure gain were studied in a model &#x3b2;-hairpin peptide based on Cochran&#x2019;s tryptophan zipper peptide Trpzip2, but with an altered Thr-Gly (TG) turn sequence, that is, SWTWETGKWTWK, using laser-induced temperature-jump (T-jump) kinetics with IR detection. As has been shown previously, the TG turn sequence reduces the thermodynamic &#x3b2;-hairpin stability as compared to the Asn-Gly sequence used in Trpzip2 (TZ2-NG). In this study, we found that the TG-turn slows down the overall relaxation dynamics as compared to TZ2-NG, which were studied at higher temperatures where the time constants show little difference between relaxation of the &#x3b2;-strand and the disordered conformation. These time constants become equivalent at lower temperatures for TZ2-TG than was seen for TZ2-NG. The correlation of thermodynamic stability and rates of relaxation suggests that the change from NG to TG turn results in a slowing of folding, lower <svg style="vertical-align:-4.77652pt;width:16.6px;" id="M1" height="16.512501" version="1.1" viewBox="0 0 16.6 16.512501" width="16.6" xmlns="http://www.w3.org/2000/svg">
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</svg>, assuming two state behavior at higher temperatures.

Alexander Popp

Ling Wu

Timothy A. Keiderling

Karin Hauser

Impact of β-Turn Sequence on β-Hairpin Dynamics Studied with Infrared-Detected Temperature Jump

In the present work we report results of investigations of human blood before and after radioisotope <svg style="vertical-align:-0.12538pt;width:36.049999px;" id="M1" height="13.925" version="1.1" viewBox="0 0 36.049999 13.925" width="36.049999" xmlns="http://www.w3.org/2000/svg">
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</svg> diagnosis by electron paramagnetic resonance (EPR) and Fourier transform infrared (FTIR) spectroscopies. It is shown that EPR can detect the concentration of methaemoglobin and transferrin ions more accurately than any other technique. FTIR spectra indicated that radiation caused conformational and concentration changes of proteins. Hierarchical cluster analysis (HCA) was created as time-saving tool for discrimination of initial and irradiated in vivo human blood samples.

M. Polakovs

N. Mironova-Ulmane

A. Pavlenko

E. Reinholds

M. Gavare

M. Grube

EPR and FTIR Spectroscopies Study of Human Blood after Irradiation

Methimazole (2-mercapto-1-methylimidazole, MMI) and its pentacyanoferrate (II) complex have been characterized by means of UV/Vis, Raman, and NMR spectroscopy. The reaction of MMI with aquapentacyanoferrate (II), [Fe(CN)5(H2O)]3&#x2212;, in buffered aqueous solutions yielded the [Fe(CN)5(MMI)]3&#x2212; complex. It was found that only thione tautomer of MMI coordinates to the iron (II). The exceptionally stabile and inert complex was produced.

D. Cvijanovi&#x107;

V. Damjanovi&#x107;

I. Picek

B. Foreti&#x107;

Spectroscopic Studies of Methimazole Reactivity toward the Aquapentacyanoferrate (II) Ion in Aqueous Solutions

Optimized geometrical structures of alkali metal phenoxyacetates were obtained using B3LYP/6-311++G** method. Geometric and magnetic aromaticity indices, dipole moments, and energies were calculated. Atomic charges on the atoms of phenoxyacetic acid molecule and its alkali metal salts were calculated by Mulliken, APT (atomic polar tensor), NPA (natural population analysis), MK (Merz-Singh-Kollman method), and ChelpG (charges from electrostatic potentials using grid-based method) methods. The theoretical wavenumbers and intensities of IR as well as chemical shifts in NMR spectra were obtained and compared with experimental data. The effect of alkali metals on molecular structure of phenoxyacetic acid appears in the shift of selected bands along the series of alkali metal salts. The correlations between chosen bands and some metal parameters, such as electronegativity, ionization energy, and atomic, and ionic radius, have been noticed.

E. Regulska

M. Samsonowicz

R. &#x15a;wis&#x142;ocka

W. Lewandowski

Theoretical and Experimental Studies on Alkali Metal Phenoxyacetates

The increasing bacteria resistance to conventional antibiotics has led to the need for alternative therapies. Being part of the human innate defence system and with a broad spectrum of activity against bacteria, viruses, protozoa, and cancer cells, antimicrobial peptides (AMPs) are a very promising alternative. The mechanism of action of AMPs seems to broadly correlate with their ability to target the bacterial cell membrane. To understand and improve their effect, it is of major importance to unravel their mechanism of action and, in particular, to understand the peptide-membrane binding. Several biophysical techniques such as fluorescence spectroscopy, circular dichroism, zeta potential determination, and atomic force microscopy can be used to achieve this goal. Characteristics of AMPs-membranes interactions and the use of these biophysical techniques will be discussed.

Inês M. Torcato

Miguel A. R. B. Castanho

Sónia T. Henriques

The Application of Biophysical Techniques to Study Antimicrobial Peptides

Uptake of the &#x3b2;-blocker drug propranolol by living glial C6 cells has been observed using fluorescence lifetime imaging with two-photon excitation at 630&#x2009;nm. Both uptake and release of propranolol occur within minutes and are temperature dependent, being about 5 times faster at 37&#xb0;C than at 20&#xb0;C. The intracellular fluorescence lifetime of propranolol is generally shorter than the value of 9.8&#x2009;ns determined in dilute neutral aqueous solution, and the difference is ascribed to concentration quenching. Within the cells, propranolol is accumulated within intracellular acidic vesicles and the cytoplasm but is excluded from the cell nucleus. On incubation of cells in medium containing 100&#x2009;&#x3bc;M propranolol, the drug is accumulated to reach intracellular concentrations up to 10&#x2009;mM in a process that is believed to be driven by protonation within acidic cellular compartments.

Roger Bisby

Stanley Botchway

Ana Crisostomo

Anthony Parker

Kathrin Scherer

Fluorescence Lifetime Imaging of Propranolol Uptake in Living Glial C6 Cells

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Journal of Spectroscopy publishes research into the theory and application of spectroscopy across all disciplines, including biology, chemistry, engineering, earth sciences, medicine, materials science, physics, and space science.

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Journal of Spectroscopy publishes research into the theory and application of spectroscopy across all disciplines, including biology, chemistry, engineering, earth sciences, medicine, materials science, physics, and space science.

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