Publications by authors named "Calus S"

Antimicrobial resistance (AMR) in drinking water has received less attention than its counterparts in the urban water cycle. While culture-based techniques or gene-centric PCR have been used to probe the impact of treatment approaches (e.g.

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Limiting microbial growth during drinking water distribution is achieved either by maintaining a disinfectant residual or through nutrient limitation without using a disinfectant. The impact of these contrasting approaches on the drinking water microbiome is not systematically understood. We use genome-resolved metagenomics to compare the structure, metabolic traits, and population genomes of drinking water microbiome samples from bulk drinking water across multiple full-scale disinfected and non-disinfected drinking water systems.

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Background: Amplicon sequencing on Illumina sequencing platforms leverages their deep sequencing and multiplexing capacity but is limited in genetic resolution due to short read lengths. While Oxford Nanopore or Pacific Biosciences sequencing platforms overcome this limitation, their application has been limited due to higher error rates or lower data output.

Results: In this study, we introduce an amplicon sequencing workflow, i.

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The orientational and translational order of a thermotropic ferroelectric liquid crystal (2MBOCBC) imbibed in self-organized, parallel, cylindrical pores with radii of 10, 15, or 20 nm in anodic aluminium oxide monoliths (AAO) are explored by high-resolution linear and circular optical birefringence as well as neutron diffraction texture analysis. The results are compared to experiments on the bulk system. The native oxidic pore walls do not provide a stable smectogen wall anchoring.

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Background/aims: Studying the gut microbiota in unaffected relatives of people with Crohn's disease (CD) may advance our understanding of the role of bacteria in disease aetiology.

Methods: Faecal microbiota composition (16S rRNA gene sequencing), genetic functional capacity (shotgun metagenomics) and faecal short chain fatty acids (SCFA) were compared in unaffected adult relatives of CD children (CDR, n = 17) and adult healthy controls, unrelated to CD patients (HUC, n = 14). The microbiota characteristics of 19 CD children were used as a benchmark of CD 'dysbiosis'.

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Background: Staphylococci are a major constituent of the nasal microbiome and a frequent cause of hospital-acquired infection. Antibiotic surgical prophylaxis is administered prior to surgery to reduce a patient's risk of postoperative infection. The impact of surgical prophylaxis on the nasal staphylococcal microbiome is largely unknown.

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Background: The effect that traditional and modern DNA extraction methods have on applications to study the role of gut microbiota in health and disease is a topic of current interest. Genomic DNA was extracted from three faecal samples and one probiotic capsule using three popular methods; chaotropic (CHAO) method, phenol/chloroform (PHEC) extraction, proprietary kit (QIAG). The performance of each of these methods on DNA yield and quality, microbiota composition using quantitative PCR, deep sequencing of the 16S rRNA gene, and sequencing analysis pipeline was evaluated.

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Objectives: Exploring associations between the gut microbiota and colonic inflammation and assessing sequential changes during exclusive enteral nutrition (EEN) may offer clues into the microbial origins of Crohn's disease (CD).

Methods: Fecal samples (n=117) were collected from 23 CD and 21 healthy children. From CD children fecal samples were collected before, during EEN, and when patients returned to their habitual diets.

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We report a high-resolution dielectric study on a pyrene-based discotic liquid crystal (DLC) in the bulk state and confined in parallel tubular nanopores of monolithic silica and alumina membranes. The positive dielectric anisotropy of the DLC molecule at low frequencies (in the quasistatic case) allows us to explore the thermotropic collective orientational order. A face-on arrangement of the molecular discs on the pore walls and a corresponding radial arrangement of the molecules is found.

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We report dielectric relaxation spectroscopy experiments on two rod-like liquid crystals of the cyanobiphenyl family (5CB and 6CB) confined in tubular nanochannels with 7 nm radius and 340 micrometer length in a monolithic, mesoporous silica membrane. The measurements were performed on composites for two distinct regimes of fractional filling: monolayer coverage at the pore walls and complete filling of the pores. For the layer coverage a slow surface relaxation dominates the dielectric properties.

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Background: Foodborne outbreaks of Salmonella remain a pressing public health concern. We recently detected a large outbreak of Salmonella enterica serovar Enteritidis phage type 14b affecting more than 30 patients in our hospital. This outbreak was linked to community, national and European-wide cases.

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The lack of success in target-based screening approaches to the discovery of antibacterial agents has led to reemergence of phenotypic screening as a successful approach of identifying bioactive, antibacterial compounds. A challenge though with this route is then to identify the molecular target(s) and mechanism of action of the hits. This target identification, or deorphanization step, is often essential in further optimization and validation studies.

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We report filling-fraction dependent dielectric spectroscopy measurements on the relaxation dynamics of the rod-like nematogen 7CB condensed in 13 nm silica nanochannels. In the film-condensed regime, a slow interface relaxation dominates the dielectric spectra, whereas from the capillary-condensed state up to complete filling an additional, fast relaxation in the core of the channels is found. The temperature-dependence of the static capacitance, representative of the averaged, collective molecular orientational ordering, indicates a continuous, paranematic-to-nematic (P-N) transition, in contrast to the discontinuous bulk behaviour.

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Background: The study of microbial communities has been revolutionised in recent years by the widespread adoption of culture independent analytical techniques such as 16S rRNA gene sequencing and metagenomics. One potential confounder of these sequence-based approaches is the presence of contamination in DNA extraction kits and other laboratory reagents.

Results: In this study we demonstrate that contaminating DNA is ubiquitous in commonly used DNA extraction kits and other laboratory reagents, varies greatly in composition between different kits and kit batches, and that this contamination critically impacts results obtained from samples containing a low microbial biomass.

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Article Synopsis
  • The study investigates optical birefringence in nematic binary mixtures of 6CB and 7CB within nanochannels of alumina and silica membranes, focusing on how the channel radius affects nematic ordering.
  • The behavior of the mixtures changes based on channel size, leading to either continuous or discontinuous nematic ordering, both showing a unique paranematic precursor behavior influenced by the channel walls.
  • Results indicate that the nematic behavior remains consistent with bulk properties and that no specific adsorption occurs at the channel walls, suggesting that the mixtures maintain their composition even under confinement for larger channel diameters.
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Optical polarimetry measurements of the orientational order of a discotic liquid crystal based on a pyrene derivative confined in parallelly aligned nanochannels of monolithic, mesoporous alumina, silica, and silicon as a function of temperature, channel radius (3-22 nm) and surface chemistry reveal a competition of radial and axial columnar orders. The evolution of the orientational order parameter of the confined systems is continuous, in contrast to the discontinuous transition in the bulk. For channel radii larger than 10 nm we suggest several, alternative defect structures, which are compatible both with the optical experiments on the collective molecular orientation presented here and with a translational, radial columnar order reported in previous diffraction studies.

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Optical birefringence and light absorption measurements reveal four regimes for the thermotropic behavior of a nematogen liquid (7CB) upon sequential filling of parallel-aligned capillaries of 12 nm diameter in a monolithic, mesoporous silica membrane. No molecular reorientation is observed for the first adsorbed monolayer. In the film-condensed state (up to 1 nm thickness), a weak, continuous paranematic-to-nematic (P-N) transition is found, which is shifted by 10 K below the discontinuous bulk transition at T(IN)=305 K.

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Article Synopsis
  • The study investigates how the nematic ordering of rodlike liquid crystals 5CB and 6CB is affected by confinement in nanochannels of varying widths, using optical birefringence measurements.
  • It finds that the orientation of the liquid crystals inside these channels results in excess birefringence, which correlates with the nematic order parameter and shows continuous evolution with temperature changes.
  • The analysis reveals critical channel radii for transitioning between different states of order and suggests that channel wall characteristics play a significant role in the effective nematic ordering of these materials.
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Paper reports the measured optical absorption and fluorescence spectra of 4-(2-chlorophenyl)-7-methyl-1,3-diphenyl-1H-pyrazolo[3,4-b]quinoline (MCPDPPQ), as well as 6-methyl-1,3-diphenyl-3H-indeno[1,2,3-de]pyrazolo[3,4-b]quinoline (MDPIPQ) and 9-methyl-6-phenyl-6H-5,6,7-triazadibenzo[f,h]naphtho[3,2,1-cd]azulene (MPTNA) representing cyclized five- or seven-membered regioisomeric products of MCPDPPQ, respectively. The spectra has been recorded in solvents of different polarity and compared with the results of quantum chemical calculations performed by means of the semiempirical method PM3 in combination with molecular dynamics (MD) simulations. Cyclization of MCPDPPQ into MDPIPQ or MPTNA is accompanied by a significant red shift of the first optical absorption and fluorescence bands.

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A series of methoxy (MO) and carboethoxy (CE) derivatives of 1,3-diphenyl-1H-pyrazolo[3,4-b]quinoline ([DPPQ]) are characterized by spectroscopic methods. All dyes show the photoluminescent spectra which are highly solvatochromic. In the case of 6MO[DPPQ] and 6CE[DPPQ] the emission bands are broad and shifted to the red with increasing of solvent polarity whereas the dyes 6MO1pMO[DPPQ] and 6MO13pMO[DPPQ] exhibit a reverse solvatochromism.

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Paper deals with experimental investigations and quantum chemical calculations of the optical absorption spectra of methoxy and carboethoxy 1,3-diphenyl derivatives of the pyrazoloquinoline ([PQ]): 6-methoxy-1,3-dyphenil-[PQ], 6-methoxy-1,3-(p-methoxyphenyl)-[PQ], 6-methoxy-1-(p-methoxyphenyl)-[PQ] and 6-carboethoxy-1,3-diphenyl-[PQ]. The quantum chemical calculations are performed by means of the semiempirical quantum chemical methods (AM1 or PM3) applied to: (a) the equilibrium molecular conformation in vacuo (T=0 K); (b) the molecular dynamic (MD) trajectory (T=300 K) which includes the dynamics of a certain molecular fragment (moiety) only (fragmental MD simulations); or (c) the MD trajectory obtained for most general case within the total MD simulations at T=300 K. The results of these calculations are compared with the measured spectra of the optical absorption.

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Study Design: A masked, single-factor, posttest-only control group design.

Objective: To explore the relationship between reported oral contraceptive use and peripheral joint laxity.

Background: Studies have found an association between increased ligamentous laxity and changes in serum levels of hormones such as estrogen, progesterone, and relaxin.

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