111 research outputs found
Fluphenazine dihydrochloride dimethanol solvate
In the title compound {systematic name: 1-(2-hydroxyethyl)-4-[3-(2-trifluoromethyl-10H-phenothiazin-10-yl)propyl]piperazine-1,4-diium dichloride dimethanol disolvate}, C22H28F3N3OS2+·2Cl−·2CH3OH, the dihedral angle between the planes of the two outer benzene rings of the tricyclic phenothiazine system is 46.91 (13)°. The piperazine ring adopts a chair conformation. The crystal structure is stabilized by O—H⋯Cl, N—H⋯Cl, C—H⋯O, C—H⋯Cl and C—H⋯F hydrogen bonds and contacts
Clinical significance of oxidation and acetylation genetic polymorphism in patients with hyperthyreosis
Introduction: The relationship between genetically determined
polymorphic oxidation and acetylation and susceptibility
to some disease was aroused much interest.
The aim of our study was to evaluate whether patients with
hyperthyreosis differ from healthy persons in their ability
to oxidize sparteine and acetylate sulphadimidine as model
drugs. Oxidation and acetylation were estimated in
48 patients with hiperthyreosis.
Material and methods: The control group consisted of
160 healthy volunteers for comparison of oxidation phenotype
and 60 healthy volunteers for comparison of acetylation
phenotype. The phenotyping of oxidation revealed two
distinct populations among 40 patients with hyperthyreosis:
38 persons (95%) were extensive metabolizers (EM) of
sparteine and 2 persons (5%) was poor metabolizers (PM).
In 160 healthy persons (91.2%) were EM and 14 persons
(8.8%) were PM. The difference between frequency distribution
of PM and EM in healthy persons and in patients
with hyperthyreosis was not statistically significant.
Results: The phenotyping of acetylation showed among
48 patients with hyperthyreosis 8 persons (13%) were rapid
acetylators (RA) and 40 persons (87%) were slow acetylators
(SA). In 60 healthy volunteers the phenotype of rapid acetylation was observed in 31 persons (51%) and slow acetylation
in 29 persons (49%).
Relative risk (odds ratio) of development of thyroid diseases
was 5.34 times higher for SA in comparison to RA. The
prevalence of SA among patients with hyperthyreosis in
comparison to healthy volunteers was statistically significant
(p < 0.0002).
Conclusions: The results of our study may suggest that slow
acetylation phenotype is associated with increased risk of
the development of hyperthyreosis.Wstęp: Badania nad udziałem czynników genetycznych
w powstawaniu niektórych chorób prowadzi się w coraz
szerszym zakresie.
Celem pracy było stwierdzenie, czy między grupą chorych
na nadczynność tarczycy a grupą kontrolną zdrowych
ochotników istnieje różnica w zdolności utleniania sparteiny
i acetylacji sulfadimidyny jako leków modelowych.
Materiał i metody: Badaniami objęto 268 osób. W tej grupie
48 osób było chorych na nadczynność tarczycy. Grupę kontrolną
dla fenotypu oksydacji stanowiło 160 zdrowych ochotników,
natomiast dla fenotypu acetylacji 60 osób zdrowych.
Wyniki: Wśród 40 chorych z nadczynnością tarczycy stwierdzono
38 (95%) ekstensywnych metabolizerów (EM, extensive
metabolizers) i 2 (5%) słabych metabolizerów (PM, poor
metabolizers) sparteiny. W grupie kontrolnej 160 ochotników,
146 (91,2%) okazało się EM, a 14 (8,8%) - PM. Niewielka
przewaga częstości występowania PM wśród pacjentów
z nadczynnością tarczycy w porównaniu z grupą osób zdrowych
nie była statystycznie istotna.
Wśród 48 chorych na nadczynność tarczycy wyróżniono
13% szybkich acetylatorów (RA, rapid acetylators) (8 osób) i 87% wolnych acetylatorów (SA, slow acetylators) (40 osób).
Natomiast u 60 zdrowych ochotników stwierdzono 51% RA
(31 osób) i 49% SA (29 osób). Odsetek szybkich i wolnych
acetylatorów w grupie chorych z nadczynnością tarczycy
różnił się w sposób statystycznie istotny w porównaniu
z odsetkiem w grupie osób zdrowych (p < 0,0002). Względne
ryzyko zachorowania na nadczynność tarczycy, wyrażone
za pomocą proporcji szans (OR, odds ratio), jest ponad
5 razy większe dla wolnych niż dla szybkich acetylatorów.
Wnioski: Wyniki niniejszych badań mogą sugerować, że
osoby z fenotypem wolnej acetylacji są predysponowane
do zapadalności na nadczynność tarczycy
Essentials of Aquaphotomics and Its Chemometrics Approaches
Aquaphotomics is a novel scientific discipline involving the study of water and aqueous systems. Using light-water interaction, it aims to extract information about the structure of water, composed of many different water molecular conformations using their absorbance bands. In aquaphotomics analysis, specific water structures (presented as water absorbance patterns) are related to their resulting functions in the aqueous systems studied, thereby building an aquaphotome-a database of water absorbance bands and patterns correlating specific water structures to their specific functions. Light-water interaction spectroscopic methods produce complex multidimensional spectral data, which require data processing and analysis to extract hidden information about the structure of water presented by its absorbance bands. The process of extracting information from water spectra in aquaphotomics requires a field-specific approach. It starts with an appropriate experimental design and execution to ensure high-quality spectral signals, followed by a multitude of spectral analysis, preprocessing and chemometrics methods to remove unwanted influences and extract water absorbance spectral pattern related to the perturbation of interest through the identification of activated water absorbance bands found among the common, consistently repeating and highly influential variables in all analytical models. The objective of this paper is to introduce the field of aquaphotomics and describe aquaphotomics multivariate analysis methodology developed during the last decade. Through a worked-out example of analysis of potassium chloride solutions supported by similar approaches from the existing aquaphotomics literature, the provided instruction should give enough information about aquaphotomics analysis i.e. to design and perform the experiment and data analysis as well as to represent water absorbance spectral pattern using various forms of aquagrams-specifically designed aquaphotomics graphs. The explained methodology is derived from analysis of near infrared spectral data of aqueous systems and will offer a useful and new tool for extracting data from informationally rich water spectra in any region. It is the hope of the authors that with this new tool at the disposal of scientists and chemometricians, pharmaceutical and biomedical spectroscopy will substantially progress beyond its state-of-the-art applications
Application of two-dimensional correlation analysis to Raman optical activity
Raman optical activity (ROA) is an incisive probe of structural dynamics and its combination with two-dimensional correlation analysis is an attractive method for the investigation of conformational transitions in proteins. In this paper we show that pretreatment of data is essential for the generation of reliable 2D ROA and 2D Raman correlations. Specific experimental parameters and available information of ROA and Raman studies have facilitated the development of four pretreatment processes, baseline subtraction, smoothing, normalization and further baseline correction. The bisignate nature of ROA spectra has a significant effect on the interpretation of synchronous 2D correlation plots when bands at wavenumbers of both positive and negative intensity are compared, while interpretation of asynchronous plots remains unchanged. We introduce a notation format to make interpretation of 2D correlations from bisignate spectra clearer. With appropriate application of 2D correlation analysis to ROA spectra, 2D ROA and 2D Raman/ROA heterocorrelation are potentially valuable tools for the analysis of conformational transitions in polypeptides and proteins. (c) 2006 Elsevier B.V. All rights reserved
Two-Dimensional Infrared, Two-Dimensional Raman, and Two-Dimensional Infrared and Raman Heterospectral Correlation Studies of Secondary Structure of β-Lactoglobulin in Buffer Solutions
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