scholarly journals Comparison of bacteria disintegration methods and their influence on data analysis in metabolomics

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Karolina Anna Mielko ◽  
Sławomir Jan Jabłoński ◽  
Marcin Łukaszewicz ◽  
Piotr Młynarz
Keyword(s):  
Multivariate Analyses ◽  
Method Comparison ◽  
Strain Identification ◽  
Bacterial Strains ◽  
Metabolite Analysis ◽  
H Nmr ◽  
Nmr Method ◽  
Targeted Analysis ◽  
Metabolite Concentrations ◽  
Cell Disintegration

AbstractMetabolomic experiments usually contain many different steps, each of which can strongly influence the obtained results. In this work, metabolic analyses of six bacterial strains were performed in light of three different bacterial cell disintegration methods. Three strains were gram-negative (Pseudomonas aeruginosa, Escherichia coli, and Klebsiella pneumoniae), and three were gram-positive (Corynebacterium glutamicum, Bacillus cereus, and Enterococcus faecalis). For extraction, the methanol–water extraction method (1:1) was chosen. To compare the efficiency of different cell disintegration methods, sonication, sand mill, and tissue lyser were used. For bacterial extract metabolite analysis, 1H NMR together with univariate and multivariate analyses were applied. The obtained results showed that metabolite concentrations are strongly dependent on the cell lysing methodology used and are different for various bacterial strains. The results clearly show that one of the disruption methods gives the highest concentration for most identified compounds (e. g. sand mill for E. faecalis and tissue lyser for B. cereus). This study indicated that the comparison of samples prepared by different procedures can lead to false or imprecise results, leaving an imprint of the disintegration method. Furthermore, the presented results showed that NMR might be a useful bacterial strain identification and differentiation method. In addition to disintegration method comparison, the metabolic profiles of each elaborated strain were analyzed, and each exhibited its metabolic profile. Some metabolites were identified by the 1H NMR method in only one strain. The results of multivariate data analyses (PCA) show that regardless of the disintegration method used, the strain group can be identified. Presented results can be significant for all types of microbial studies containing the metabolomic targeted and non-targeted analysis.

scholarly journals Synthesis and Antibacterial Activity of New Spiro[thiadiazoline-(pyrazolo[3,4-d]pyrimidine)] Derivatives

2015 ◽  
Vol 2015 ◽  
pp. 1-6 ◽  
Author(s):  
Mohammed El Fal ◽  
Youssef Ramli ◽  
Abdelfettah Zerzouf ◽  
Ahmed Talbaoui ◽  
Youssef Bakri ◽  
...  
Keyword(s):  
Staphylococcus Aureus ◽  
Antibacterial Activity ◽  
Spectroscopic Data ◽  
Heterocyclic Compounds ◽  
Dipolar Cycloaddition ◽  
Bacterial Strains ◽  
Pyrimidine Derivatives ◽  
H Nmr ◽  
Biological Interest ◽  
Mic Value

New heterocyclic compounds spiroderivatives of allopurinol of biological interest were prepared from allopurinol via thionation and 1,3-dipolar cycloaddition and were produced in high to excellent yields. These compounds were characterized on the basis of spectral and spectroscopic data (1H NMR,13C, IR, and MS). The antibacterial activity of the synthesized products was studied using bacterial strains:Staphylococcus aureus,Enterococcus faecalis,Escherichia coli, andPseudomonas aeruginosa. Compounds having an ethyl group showed the best activity with MIC value of 31.25 µg/mL againstStaphylococcus aureusandStreptococcus fasciens.

Synthesis of a sequence-controlled in-chain alkynyl/tertiary amino dual-functionalized terpolymer via living anionic polymerization

2018 ◽  
Vol 9 (1) ◽  
pp. 108-120 ◽  
Author(s):  
Lincan Yang ◽  
Hongwei Ma ◽  
Li Han ◽  
Xinyu Hao ◽  
Pibo Liu ◽  
...  
Keyword(s):  
Anionic Polymerization ◽  
Kinetic Characteristics ◽  
Living Anionic Polymerization ◽  
Sequence Structure ◽  
H Nmr ◽  
Nmr Method ◽  
Tertiary Amino

A dual-functionalized sequence-defined terpolymer was synthesized via living anionic polymerization; meanwhile its kinetic characteristics and sequence structure were investigated in detail via the in situ1H NMR method.

Intrasample variation and the effect of storage delay on faecal metabolite concentrations in the southern hairy-nosed wombat (Lasiorhinus latifrons)

2012 ◽  
Vol 34 (2) ◽  
pp. 217 ◽  
Author(s):  
Kristin A. Descovich ◽  
Allan T. Lisle ◽  
Stephen Johnston ◽  
Tamara Keeley ◽  
Clive J. C. Phillips
Keyword(s):  
Wild Animal ◽  
Initial Increase ◽  
Sample Storage ◽  
Metabolite Analysis ◽  
Adrenal Hormone ◽  
Non Invasive ◽  
Animal Populations ◽  
Metabolite Concentrations ◽  
Hormonal Fluctuations ◽  
Over Time

Faecal hormone metabolite analysis offers a non-invasive alternative to blood sampling that is particularly relevant to wild animal populations. It has been used for reproductive and adrenal hormone monitoring in captive wombats, but no information exists on its accuracy when sample storage is delayed or on whether variation exists within samples. This study aimed to quantify the effect of storage delay and intrasample variation on faecal metabolite concentrations of testosterone, progesterone and corticosterone in southern hairy-nosed wombats. For all metabolites, intrasample variance was 15% or less of total variance. Delays in storage significantly changed metabolite concentrations, with progesterone showing a progressive decrease over time (0–72 h: t24 = 2.14, P = 0.05), testosterone showing a significant increase after 6-h delay (0–6 h: t21 = 2.83, P = 0.01), and corticosterone showing an initial increase (0–6 h: t48 = 3.60, P = 0.001), followed by a reduction to original concentrations by 72 h (0–72 h: t48 = 0.91, P = 0.38). Although changes caused by storage delays may not obscure large hormonal fluctuations, this study outlines the importance of immediate storage and consistent sampling to allow the most accurate results to be obtained.

Infrared, 1H-NMR Spectral Studies of some Methyl 6-O-Myristoyl-α-D-Glucopyranoside Derivatives: Assessment of Antimicrobial Effects

2015 ◽  
Vol 58 ◽  
pp. 122-136 ◽  
Author(s):  
Sarkar M.A. Kawsar ◽  
Khaleda Mymona ◽  
Refat Asma ◽  
Mohammad A. Manchur ◽  
Yasuhiro Koide ◽  
...  
Keyword(s):  
Pathogenic Fungi ◽  
Spectral Studies ◽  
Bacterial Strains ◽  
Substitution Product ◽  
Antifungal Activities ◽  
H Nmr ◽  
Antibacterial And Antifungal Activities ◽  
Fungal Phytopathogens ◽  
Antibacterial And Antifungal

This study was carried out to regioselective myristoylation of methyl α-D-glucopyranoside (1) using the direct acylation method gave the corresponding methyl 6-O-myristoyl-α-D-glucopyranoside (2) in fair yield. A number of 2,3,4-tri-O-acyl derivatives (3-15) of this 6-O-substitution product using a wide variety of acylating agents were also prepared in order to obtain newer derivatives of synthetic and biological importance. The reaction conditions are reasonably simple and yields were very good. The structures of the title compounds (2-15) were established by using analytical, physicochemical techniques and spectroscopic data (IR and 1H-NMR). All the synthesized compounds were employed as test chemicals for in vitro antimicrobial functionality test against Gram-positive Bacillus subtilis, Staphylococcus aureus, Gram-negative Escherichia coli, Pseudomonas aeruginosa bacteria and plant pathogenic fungi Aspergillus niger and Candida albicans. For comparative studies, antimicrobial activity of standard antibiotics, Ampicillin and Nystatin were also carried out against these microorganisms. The study revealed that the tested samples exhibited moderate to good antibacterial and antifungal activities. It was also observed that the test substances were more effective against fungal phytopathogens than those of the human bacterial strains. Encouragingly, a number of tested chemicals showed nearest antibacterial and antifungal activities with the standard antibiotics employed.

The assignment of the configuration for α-hydroxy acid esters using a CEC strategy

2016 ◽  
Vol 14 (23) ◽  
pp. 5258-5262 ◽  
Author(s):  
Ruixue Peng ◽  
Lili Lin ◽  
Yuheng Zhang ◽  
Wangbin Wu ◽  
Yan Lu ◽  
...  
Keyword(s):  
Absolute Configuration ◽  
Hydroxy Acid ◽  
H Nmr ◽  
Nmr Method ◽  
The Absolute ◽  
Acid Esters

A simple and efficient 1H NMR method for determining the absolute configuration of chiral α-hydroxy acid esters using a CEC strategy with a chiral N,N′-dioxide-scandium(iii) complex was developed.

scholarly journals Synthesis, Structural Elucidation, and Antibacterial Evaluation of Some New Molecules Derived from Coumarin, 1,3,4-Oxadiazole, and Acetamide

2016 ◽  
Vol 2016 ◽  
pp. 1-10 ◽  
Author(s):  
Shahid Rasool ◽  
Aziz-ur-Rehman ◽  
Muhammad Athar Abbasi ◽  
Sabahat Zahra Siddiqui ◽  
Syed Adnan Ali Shah ◽  
...  
Keyword(s):  
Biological Activities ◽  
Basic Medium ◽  
Bacterial Strains ◽  
Alkyl Aryl ◽  
H Nmr ◽  
Intermolecular Cyclization ◽  
Biological Potential ◽  
Aryl Amines ◽  
Spectral Data Analysis ◽  
New Compounds

Because of the reported biological activities of coumarin, 1,3,4-oxadiazole, and acetamides, some new compounds incorporating these moieties were synthesized and evaluated for their biological potential against Gram-positive and Gram-negative bacteria. In the present work, 4-chlororesorcinol (1) and ethyl acetoacetate (2) were mixed in a strong acidic medium to synthesize 6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromene (3) which was subjected to the intermolecular cyclization after consecutive three steps to synthesize 5-[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl-1,3,4-oxadiazol-2-thiol (6). A series of acetamoyl electrophiles, 8a–o, were synthesized from aralkyl/alkyl/aryl amines, 7a–o, in an aqueous basic medium. The final compounds, 9a–o, were synthesized by the reaction of compounds 6 and 8a–o in DMF/NaH. The synthesized compounds were structurally elucidated by spectral data analysis of IR, 1H-NMR, and EIMS. The most of the synthesized compounds remained moderate to excellent antibacterial agents. The molecules, 9e, 9j, and 9k, were the most efficient ones against all the five bacterial strains taken into account.

Revision of the structure of 3-methoxy-14α-hydroxy-D-homo-1,3,5-(10)-estratrien-17a-one. A simple 1H NMR method for the determination of configuration of hydroxy group in position 5 and/or 14 of the D-homo-steroid skeleton

1991 ◽  
Vol 56 (7) ◽  
pp. 1512-1524 ◽  
Author(s):  
Miloš Buděšínský ◽  
Alexander Kasal ◽  
Želimír Procházka ◽  
Huynh Kim Thoa ◽  
Soňa Vašíčková ◽  
...  
Keyword(s):  
Hydroxy Group ◽  
Chemical Shifts ◽  
Cotton Effect ◽  
Hydroxyl Group ◽  
H Nmr ◽  
Nmr Method ◽  
Synthetic Models ◽  
Steroid Skeleton

Eignerova and Prochazka found in 1974 the Cotton effect value for 3-methoxy-14α-hydroxy-D-homo-1,3,5(10)-estratrien-17a-one (Ia) to be Δε – 2.76.Calculation of the Δε value for this compound led, however, to a substantially lower value, which suggested the hypothesis that the compound was in fact rather an epimer with the hydroxy group in position 14β. This hypothesis was studied by means of 1H NMR spectra of synthetic models, using the changes of the chemical shifts of angular methyls, induced by in situ acylation of the angular hydroxyl with an α- or β-configuration with trichloroacetyl isocyanate (TAI). The observed TAI-acylation shifts on model compounds indicated the structure Ib with a 14b-configuration of the hydroxyl group. Indenpendent proof has been given by the synthesis of both 14-hydroxy epimers, Ia and Ib. A simple 1H NMR method is proposed for the determination of configuration of the hydroxyl in position 5 or 14 of D-homo-steroid skeleton.

scholarly journals Indole-3-carbaldehyde Semicarbazone Derivatives: Synthesis, Characterization, and Antibacterial Activities

2020 ◽  
Vol 2020 ◽  
pp. 1-9 ◽  
Author(s):  
Fernando Carrasco ◽  
Wilfredo Hernández ◽  
Oscar Chupayo ◽  
Celedonio M. Álvarez ◽  
Sandra Oramas-Royo ◽  
...  
Keyword(s):  
Staphylococcus Aureus ◽  
Bacillus Subtilis ◽  
Antibacterial Activities ◽  
Isomeric Form ◽  
Bacterial Strains ◽  
H Nmr ◽  
Nmr Techniques ◽  
Ft Ir ◽  
Liquid Acetone

Four indole-3-carbaldehyde semicarbazone derivatives, 2-((5-bromo-1H-indol-3-yl)methylene)hydrazinecarboxamide (1), 2-((5-chloro-1H-indol-3-yl)methylene)hydrazinecarboxamide (2), 2-((5-methoxy-1H-indol-3-yl)methylene)hydrazinecarboxamide (3), and 2-((4-nitro-1H-indol-3-yl)methylene)hydrazinecarboxamide (4) were synthesized and characterized by ESI-MS and spectroscopic (FT-IR, 1H NMR, and 13C NMR) techniques. The two-dimensional NMR (in acetone-d6) spectral data revealed that the molecules 1 and 2 in solution are in the cisE isomeric form. This evidence is supported by DFT calculations at the B3LYP/6-311++G(d,p) level of theory where it was shown that the corresponding most stable conformers of the synthesized compounds have a cisE geometrical configuration, in both the gas and liquid (acetone and DMSO) phases. The in vitro antibacterial activity of compounds 1–4 was determined against Gram-positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Pseudomonas aeruginosa and Escherichia coli) bacteria. Among all the tested semicarbazones, 1 and 2 exhibited similar inhibitory activities against Staphylococcus aureus (MIC = 100 and 150 μg/mL, respectively) and Bacillus subtilis (MIC = 100 and 150 μg/mL, respectively). On the other hand, 3 and 4 were relatively less active against the tested bacterial strains compared with 1, 2, and tetracycline.

scholarly journals Simple and rapid quantification of phospholipids for supramolecular membrane transport assays

2016 ◽  
Vol 14 (7) ◽  
pp. 2182-2185 ◽  
Author(s):  
Robert Hein ◽  
Can B. Uzundal ◽  
Andreas Hennig
Keyword(s):  
Membrane Transport ◽  
Phospholipid Content ◽  
H Nmr ◽  
Nmr Method ◽  
Rapid Quantification

We introduce a simple 1H NMR method for quantification of the phospholipid content of liposomes.

scholarly journals Characterization and assessment of barnacle larval settlement-inducing activity of extracellular polymeric substances isolated from marine biofilm bacteria

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Aboobucker Siddik ◽  
Sathianeson Satheesh
Keyword(s):  
Extracellular Polymeric Substances ◽  
Larval Settlement ◽  
Model Organism ◽  
Water Soluble ◽  
Compositional Variation ◽  
Bacterial Strains ◽  
H Nmr ◽  
Marine Biofilm ◽  
Biofilm Bacteria

AbstractExtracellular polymeric substances (EPSs) are the hydrated gelatinous matrix produced by microorganisms for attachment in a biofilm environment. In this study, the compositional variation between EPSs of three marine biofilm bacteria (Pseudoalteromonas shioyasakiensis, Vibrio harveyi and Planomicrobium sp.) were analysed by GC-MS, 1H NMR, FT-IR and XRD and SEM. The ecological significance of exopolymers was assessed in vivo using marine model organism barnacle larvae for their settlement-inducing activity. Chemical analysis revealed the presence of glycan fucosylated oligosaccharides, tetraose, trisaccharides, iso-B-Pentasaccharides, sialyllactose, oligomannose, galacto-N-biose, difucosyl-para-lacto-N-neohexaose, 3′-sialyl N-acetyllactosamine and isoglobotriaose-β-N(Acetyl)-Propargyl in all extracted EPSs. Bioassay results indicated that treatment of the barnacle larvae with EPSs from three bacterial strains enhanced settlement on substrates. In conclusion, this study highlighted the role of water-soluble EPSs in the invertebrate larval settlement on artificial materials.

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