Deciphering the complexity of the chemicals in food packaging materials using molecular networks.

Chemicals from packaging materials might be transferred into food resulting in consumer exposure. Identifying these migrated chemicals is highly challenging and crucial to perform their safety assessment, usually starting by the understanding of the chemical composition of the packaging material itself. This study explores the use of the Molecular Networking (MN) approach to support identification of the extracted chemicals. Two formulations of bioplastics were analyzed using Liquid Chromatography hyphenated to High-Resolution Mass Spectrometry. Data processing and interpretation using a conventional manual method was performed as a point of comparison to understand the power of MN. Interestingly, only the MN approach facilitated the identification of unknown chemicals belonging to a novel oligomer series containing the azelaic acid monomer. The MN approach provided a faster visualization of chemical families in addition to the highlight of unrelated chemicals enabling to prioritize chemicals for further investigation improving the safety assessment of packaging materials.

The Potential of Molecular Docking for Predictive Toxicology.

Molecular modeling techniques are widely used in medicinal chemistry for the study of biological targets, the rational design of new drugs, or the investigation of their mechanism of action.They are also applied in toxicology to identify chemical potential harmful effects.Molecular docking is a computational technique to predict the ligand binding mode and evaluate the interaction energy with a biological target.This chapter describes a computational workflow to predict possible endocrine disruptors on peroxisome proliferator-activated receptor alpha (PPARα), a nuclear receptor involved in glucose and lipid metabolism. The analyzed compounds are food contact chemicals, natural or synthetic substances intentionally added to food or released from the package or during production or technological processes.

Night-time blood pressure dipping, but not 24-h blood pressure level, is linked to increased 24-h ocular volume slope

ABSTRACT Purpose: This study investigated the relationship between blood pressure and intraocular pressure in treatmentnaive, non-glaucoma patients with different blood pressure statuses, focusing on the 24-h ocular volume and nocturnal blood pressure decline. Methods: Treatment-naive, non-glaucoma patients undergoing hypertension evaluation were enrolled as study participants. Simultaneous 24-h ambulatory blood pressure measurement and 24-h ocular volume recording with a contact lens sensor. We also compared ocular volume curve parameters between normotensive and hypertensive patients, as well as between those with and without nocturnal blood pressure decline. Results: A total of 21 patients, including 7 normotensive and 14 treatment-naive hypertensive individuals, were included in the study. of them, 11 were dippers and 10 were non-dippers. No significant difference in the 24-h ocular volume slope was observed between the hypertensive and normotensive patients (p=0.284). However, dippers had a significantly higher 24-h ocular volume slope (p=0.004) and nocturnal contact lens sensor output (p=0.041) than non-dippers. Conclusion: Nocturnal blood pressure decline, rather than the blood pressure level, is associated with the increased 24-h ocular volume slope and nocturnal ocular volume. Further studies are required to determine whether the acceleration of glaucoma progression in dippers is primarily due to low blood pressure, high intraocular pressure, or a combination of both.

Exploring Contact Distance Distributions with Google Colaboratory.

Hi-C and Micro-C are the three-dimensional (3D) genome assays that use high-throughput sequencing. In the analysis, the sequenced paired-end reads are mapped to a reference genome to generate a two-dimensional contact matrix for identifying topologically associating domains (TADs), chromatin loops, and chromosomal compartments. On the other hand, the distance distribution of the paired-end mapped reads also provides insight into the 3D genome structure by highlighting global contact frequency patterns at distances indicative of loops, TADs, and compartments. This chapter presents a basic workflow for visualizing and analyzing contact distance distributions from Hi-C data. The workflow can be run on Google Colaboratory, which provides a ready-to-use Python environment accessible through a web browser. The notebook that demonstrates the workflow is available in the GitHub repository at https://github.com/rnakato/Springer_contact_distance_plot.

Single-Cell Hi-C Analysis Workflow with Pairtools.

Single-cell Hi-C (scHi-C) is a collection of protocols for studying genomic interactions within individual cells. Although data analysis for scHi-C resembles data analysis for bulk Hi-C, the unique challenges of scHi-C, such as high noise and protocol-specific biases, require specialized data processing strategies. In this tutorial chapter, we focus on using pairtools, a suite of tools optimized for scHi-C data, demonstrating its application on a Drosophila snHi-C dataset. While centered on pairtools for snHi-C data, the principles outlined are applicable across scHi-C variants with minor adjustments. This educational chapter aims to guide researchers in using open-source tools for scHi-C analysis, emphasizing critical steps of contact pair extraction, detection of ligation junctions, filtration, and deduplication.

Prediction of Enhancer-Gene Interactions Using Chromatin-Conformation Capture and Epigenome Data Using STARE.

Disentangling the relationship of enhancers and genes is an ongoing challenge in epigenomics. We present STARE, our software to quantify the strength of enhancer-gene interactions based on enhancer activity and chromatin contact data. It implements the generalized Activity-by-Contact (gABC) score, which allows predicting putative target genes of candidate enhancers over any desired genomic distance. The only requirement for its application is a measurement of enhancer activity. In addition to regulatory interactions, STARE calculates transcription factor (TF) affinities on gene level. We illustrate its usage on a public single-cell data set of the human heart by predicting regulatory interactions on cell type level, by giving examples on how to integrate them with other data modalities, and by constructing TF affinity matrices.

Occurrence of Campylobacter, Listeria monocytogenes, and extended-spectrum beta-lactamase Escherichia coli in slaughterhouses before and after cleaning and disinfection.

To prevent foodborne illness, adequate cleaning and disinfection (C&D) is essential to remove pathogenic bacteria from the slaughter environment. The aim of this study was to determine the presence of Campylobacter spp., Listeria monocytogenes, and extended-spectrum beta-lactamase-producing Escherichia coli (ESBL E. coli) before and after C&D in slaughterhouses. Samples from food- and non-food contact surfaces taken before and after C&D in one red meat and one poultry slaughterhouse were analyzed for the target bacteria. Whole-genome sequencing and antimicrobial susceptibility testing were performed. In total, 484 samples were analyzed. Campylobacter spp. were isolated from 13.0% to 15.5% of samples before C&D in the red meat and poultry slaughterhouse, respectively. Listeria monocytogenes was isolated before C&D in 12.5% and 5.2% of samples in the red meat and poultry slaughterhouse, respectively. It was noted that C. jejuni was detected on multiple surfaces and that L. monocytogenes showed potential persistence in one slaughterhouse. After C&D, L. monocytogenes was found in one sample. ESBL E. coli was not detected either before or after C&D. These findings show the possibility to remove pathogenic bacteria from slaughter and meat processing facilities, but also indicate that deficiencies in slaughter hygiene pose a risk of cross-contamination of meat.

Wetting characterisation on complex surfaces by an automatic open-source tool: DropenVideo.

HYPOTHESIS: Investigating solid-liquid interactions to determine advancing and receding contact angles, and consequently contact angle hysteresis, is crucial for understanding material wetting properties. A reliable, automated, and possibly open-source tool is desirable, to standardize and automatize the measurement and make it user-independent. EXPERIMENTS: This study introduces an open-source software, DropenVideo, as an extension of Dropen. DropenVideo automates frame-by-frame video analysis for the advancing and receding contact angle determination, by considering needle presence, contrast tuning, and compensating for missing drop edge data. Contact angles are calculated using convolution mask, circle, and polynomial fittings. An innovative feature in DropenVideo is the automatic protocol for identifying advancing and receding contact angles: (i) the advancing contact angle is determined as the average value during drop inflation; and (ii) the receding contact angle is determined from the frame of incipient motion during drop deflation. FINDINGS: Exploring the application of DropenVideo across a range of complex surfaces as representative test cases, we highlight existing challenges in interpreting wetting measurements by addressing different wetting scenarios. Our study demonstrates that employing frame-by-frame automatic analysis of contact angle measurement videos using DropenVideo significantly mitigates the potential risks of subjective bias associated with manual interpretation and enhances the precision of identified wetting characteristics.

Polymerization of hydroxyethyl methacrylate (HEMA) under rotation to form core-annular hydrogels.

HYPOTHESIS: We propose to polymerize high water content hydroxyethyl methacrylate (HEMA) formulations in a rotating cylinder to explore the effect of the rotation on microstructure and critical parameters such as diffusivity of model proteins in porous poly-HEMA gels. EXPERIMENTS: Cylindrical molds were partially filled with water-HEMA-initiator-crosslinker mixtures and exposed to UV light while undergoing rotation to polymerize into a cylindrical tube. The process was repeated multiple times to manufacture a core annular rod with multiple concentric rings, in which at least one ring was porous. The porous gels were imaged by scanning electron microscopy to explore the microstructure. The transport of model proteins bovine serum albumin and human γ-globulin was measured and modeled, in radial and axial directions, to obtain the effective diffusivity and partition coefficient. Also, the true diffusivity of proteins was calculated by accounting for the effects of porosity and tortuosity. FINDINGS: The porous gels exhibited diffusion-controlled release of both model proteins. The hydrogels prepared with 55% water in the monomer mixture were porous with non-isotropic structure likely due to axially oriented pores with minimal radial connectivity. The gels with higher water content were isotropic with interconnected pores in both directions. The pore volume increased with water content, but the partition coefficient was relatively constant and less than one likely due to presence of isolated unconnected pores.

Combined high-rate contact stabilization and chemically enhanced primary treatment for enhanced recovery of organic matter and biogas from sewage.

This study examined integrating high-rate contact stabilization (HRCS) and chemically enhanced primary treatment (CEPT) for wastewater to improve the carbon recovery rate (CRR). Enhancing chemical oxygen demand (COD) removal efficiency was hypothesized to improve the CRR. The evaluation covered serial HRCS-CEPT, serial CEPT-HRCS, and single-stage carbon recovery (Single-CR). The COD removal efficiencies for individual HRCS and CEPT were 50.3 % and 56.2 %, respectively. The serial CEPT-HRCS system failed in the HRCS process due to poor settling, resulting in microbial washout. However, the serial HRCS-CEPT system achieved the highest COD removal efficiency (84.5 %). The Single-CR system exhibited the highest CRR of 0.780 ± 0.083 g-CODCH4/g-CODinf, identifying it as the most promising process for energy-positive wastewater treatment. The selective pressure in the high-rate system resulted in a simplified and specialized bacterial community, mainly comprising microorganisms with high polyhydroxyalkanoate storage capacity, such as Lactococcus sp., Enterobacter sp., and Acinetobacter sp.

Early parental vocal contact in neonatal units: rationale and clinical guidelines for implementation.

This paper aims to present clear and evidence-based proposals for the integration of Early Parental Vocal Contact into the clinical practices of neonatal units. In the first part, we present a comprehensive rationale exploring the ontogenesis of voice perception in both term and preterm newborns that establishes a foundational understanding. This knowledge serves as a crucial starting point for developing evidence-based auditory and multisensory interventions aimed at fostering the developmental trajectory of preterm infants. Drawing insights from neuroscience and brain development, our proposals underscore the significance of tailoring auditory environments within neonatal settings. Special attention is given to the unique needs of preterm infants, factoring in their gestational age and maturation levels. In the second part clinical guidelines for implementation are provided and healthcare professionals are supported to assist parents in modulating their vocal interactions, aligning them with the infant's responses. Furthermore, we provide practical suggestions for engaging in discussions with parents about the content, duration, and frequency of vocal interventions. Finally, we delve into the potential roles of caregivers, parents, and health professionals within this enriched parental vocal interactional environment. Our perspective is firmly grounded in an infant and family-centered developmental care philosophy, aiming to enhance the overall well-being and the neurodevelopment of preterm infants in neonatal units.

Lower limb joint loading during high-impact activities: implication for bone health.

Osteoporosis results in low-trauma fractures affecting millions globally, in particular elderly populations. Despite the inclusion of physical activity in fracture prevention strategies, the optimal bone-strengthening exercises remain uncertain, highlighting the need for a deeper understanding of lower limb joint loading dynamics across various exercise types and levels. This study examines lower limb joint loading during high-impact exercises across different intensities. A total of 40 healthy, active participants were recruited (mean ± SD: age of 40.3 ± 13.1 yr; height 1.71 ± 0.08 m; and mass 68.44 ± 11.67 kg). Motion capture data and ground reaction forces of 6 different exercises: a self-selected level of walking, running, countermovement jump, squat jump, unilateral hopping, and bilateral hopping were collected for each participant. Joint reaction forces were estimated using lower body musculoskeletal models developed in OpenSim. Running and hopping increased joint forces compared to walking, notably at the hip (83% and 21%), knee (134% and 94%), and ankle (94% and 77%), while jump exercises reduced hip and ankle loading compared to walking (36% and 19%). Joint loading varied with exercise type and intensity, with running faster increasing forces on all joints, particularly at the hip. Sprinting increased forces at the hip but lowered knee and ankle forces. Higher jumps intensified forces on all joints, while faster hopping reduced forces. The wide variation of lower limb joint loading observed across the exercises tested in this study underscores the importance of implementing diverse exercise routines to optimize overall bone health and strengthen the musculoskeletal structure. Practitioners must therefore ensure that exercise programs include movements that are specifically suitable for their intended purpose.

Mpox in sports: A comprehensive framework for anticipatory planning and risk mitigation in football based on lessons from COVID-19.

The World Health Organization's declaration of mpox (formerly known as monkeypox) as a public health emergency of international concern (PHEIC) in July 2022, followed by its resurgence in 2024, has sparked concerns about its potential impact on sports, especially contact sports such as football. Although mpox is not a pandemic (as of late September 2024), the coronavirus disease 2019 (COVID-19) experience offers valuable lessons for proactive planning in sports. Our conceptual framework has been designed to draw insightful lessons from the COVID-19 pandemic to assist sports organizations in planning for and preventing similar situations. We aimed to draw lessons from COVID-19 to help sports organizations enhance practical preparedness through effective planning and mitigation strategies. Accordingly, we sought to assess the potential impact of mpox on sports, with a focus on football (soccer), and to develop strategies for prevention, management, and preparedness based on epidemiological insights and lessons from COVID-19 pandemic experience. Here we review mpox's pathophysiology and possibility of transmission in sports settings and discuss tailored strategies, including risk assessments, testing protocols, hygiene measures, and return-to-play policies. This review highlights key differences between mpox and COVID-19 in transmission, incubation, and management, emphasizing the need for customized prevention and control measures in sports. We propose innovative risk assessment methods using global positioning system tracking and machine learning for contact analysis, alongside tailored testing and hygiene protocols. We emphasize the importance of proactive planning, noting improved preparedness in the sports community compared to the early days of COVID-19. In conclusion, our proposed framework provides sports organizations with practical tools to manage potential risks associated with mpox, ensuring the continuity of activities while prioritizing public health.

A 3D printed serrated contact structure triboelectric nanogenerator for swimming training safety monitoring.

The wearable electronic devices integrated with 3D printing have attracted much attention, but the continuous power supply demand and limited application scenarios have limited their development. Here, we propose a 3D printed serrated contact structure triboelectric nanogenerator (S-TENG) designed for mechanical energy harvesting and swimming training safety monitoring. Leveraging the advancements in 3D printing technology, we created a flexible, lightweight sensor integrated with polytetrafluoroethylene (PTFE) and polyethylene terephthalate (PET) films on a serrated substrate. This configuration enhances the contact surface area, leading to a significant improvement in energy harvesting efficiency compared to flat structures. Specifically, the serrated structure resulted in a 64 %, 63 %, and 47 % increase in open-circuit voltage (Voc), short-circuit current (Isc), and transferred charge (Qsc), respectively, owing to the contact area and unique surface functional structure. The S-TENG device exhibits excellent performance under various bending angles, with Voc, Isc, and Qsc reaching up to 98.04 V, 4.35 µA, and 38.51 nC at 90° bending. Additionally, the S-TENG maintains stable output in different humidity environments due to its fully encapsulated design, ensuring reliable operation in aquatic settings. The S-TENG can accurately measure elbow swing amplitude and frequency, providing valuable real-time data for athletes and coaches. The S-TENG's ability to detect irregular movements and potential drowning incidents underscores its promise in enhancing swimmer safety. This research demonstrates the S-TENG's utility in both energy harvesting and motion monitoring, paving the way for advanced wearable sports sensors in various athletic disciplines.

Use of cone-beam computed tomography for investigation of factors affecting the failure of temporary anchorage devices.

PURPOSE: To assess the reasons behind the failure of temporary anchorage devices (TADs) installed in the buccal alveolar zone between the maxillary second premolars and the first molars. METHODS: Sixty patients (11 male, 49 female, mean age 21 years) were included. Logistic regression analysis was performed to determine the influence of the following factors on the presence or absence of TAD failure: sex, age, sagittal and vertical skeletal patterns, root contact, bone density, bone contact length, and presence of maxillary sinus perforation. Fisher's exact test was performed to evaluate differences in failure rate between tooth types for teeth in contact with TADs (second premolar or first molar). Measurements were obtained using lateral cephalograms at the initial visit and data obtained by cone-beam computed tomography (CBCT) before and after TAD implantation. RESULTS: Logistic regression analysis showed that only root contact was associated with TAD failure; there was no association between the type of tooth in contact with the TAD and failure. CONCLUSION: Root contact with a TAD significantly influenced TAD failure. Therefore, preliminary examination using three-dimensional (3D) evaluation with CBCT is essential to ensure that the TAD is not placed near the root of the tooth.

The contact lens-tear film interface: Investigating the tear envelope.

PURPOSE: To explore the complex interface between the tear film, a unique mucosal fluid which is fundamental to ocular homeostasis and optimal vision, and an in-situ contact lens. This study exploits the use of a unique tear envelope (TE) extraction technique, which harvests the material-influenced layer of tear film that is in intimate contact with the lens during wear, to specifically investigate the influence of contact lens wear on tear film protein dynamics. METHODS: TEs were collected from freshly removed worn lens using a novel microcentrifuge 'piggyback' technique. Two distinct ex vivo studies were performed to investigate the key influencing factors involved. Non lens-wearing tear samples were also collected from all wearers. A compositional protein profile for each TE and tear film (TF) sample was obtained using an Agilent 2100 Bioanalyzer lab-on-a-chip microfluidic assay which detected proteins in a 14-230 kDa range. RESULTS: The data demonstrated that the TE protein compositional profile was quite distinct from either that of tear components deposited on the lens or those held in the tear menisci. For example, for one of the participant subgroups the tear protein average values in tears (n = 39) were determined at 35.2 ± 2.5 % lysozyme, 17.2 ± 0.6 % lipocalin, 7.3 ± 1.6 % IgA, 20.3 ± 1.3 % lactoferrin and 0.4 ± 0.4 % albumin as a function of total protein detected. In contrast, the average TE values were measured at 49.2 ± 3.7 %, 21.3 ± 3.9 %, 7.8 ± 1.6 % and 10.2 ± 1.7 % and 1.3 ± 2.8 % respectively with omafilcon A wear. In addition, 63 % of all TE samples (n = 180) (wearing lotrafilcon B and omafilcon A lenses) were albumin positive compared with only 19 % of all pre-lens insertion tear film samples (n = 237). CONCLUSIONS: The TE approach not only allows material differentiation, but it can determine changes in the ocular host response that may otherwise be missed by sole non lens-wearing tear film sample analysis.

Chemical Composition and Insecticidal Potential of Essential Oil from Murraya koenigii (L.) Obtained by Natural Deep Eutectic Solvents.

Aphis craccivora Koch and Planococcus lilacinus Cockerell are phloem feeders and act as vectors for transmitting plant viruses to agricultural and horticultural crops thereby damaging them. The persistent and widespread use of synthetic, wide-spectrum pesticides has resulted in resistance development that is detrimental to the environment, human health, and natural enemies of pests. The present investigation uses various extraction mediums to examine the insecticidal efficacy of essential oils (EOs) isolated from Murraya koenigii (L.) leaves. Increase in yield was observed in the EO extracted using NADES-AHD [0.16% (obtained with hydro-distillation)] to 0.30% [obtained with N-1 (glycerol:lactic acid)]. EO obtained with water was found more effective against A. craccivora (LD50 = 0.89 µL/insect) and followed by N-1 (glycerol:lactic acid), and N-3 (choline chloride:citric acid) (LD50 = 1.29-1.38 µL/insect). Similarly, EO isolated by water and N-4 (choline chloride:oxalic acid) was effective against P. lilacinus (LD50 = 2.63-3.06 µL/insect). Additionally, the EO prepared by water substantially reduced glutathione S-transferase (GST) and acetylcholinesterase (AChE) in target pests, suggesting that these enzymes may be the EOs' site of action. NADES-AHD has enhanced the EO yield as compared to the conventional method. The EO obtained with water showed promising toxicity against target pests and target site of action. Therefore, based on field and greenhouse bio-efficacy experiments, EOs/biopesticides/botanicals can be proposed for controlling the spread of mealy bugs and aphids.

Polydopamine-Mediated Contact-Electro-Catalysis for Efficient Partial Oxidation of Methane.

The direct conversion and efficient utilization of methane pose a critical scientific challenge. Indirect activation via reactive oxygen species (ROS) offers a high probability of contact with methane and conversion efficiency under mild conditions. However, reported product yields are suboptimal due to challenges in activating oxygen and facilitating mass transfer in suspension systems. We propose the use of contact-electro-catalysis (CEC), employing polydopamine (PDA) as a catalyst that undergoes electron transfer with oxygen under ultrasound, generating ROS that drives the partial oxidation of methane (POM). Corresponding experimental results indicate that CH3OH and most HCHO are produced directly from CH4. Furthermore, through in situ characterizations, we have shown that light pretreatment of the catalysts in an oxygenated atmosphere facilitates the forming of more C=O functional groups with strong electron-withdrawing properties, thereby significantly enhancing overall product yields, particularly for CH3OH. Within two hours, product yields reach 1.5 mmol·gcat-1 for HCHO and 0.9 mmol·gcat-1 for CH3OH. This work introduces a novel approach for efficient POM, while highlighting the distinctive catalytic properties of PDA.

A Study of Data Processing Methods for Non-Contact Multispectral Method of Blood Oxygen Saturation.

Regular monitoring of blood oxygenation is important for disease prevention and treatment. Image photoplethysmography (IPPG) technology is a non-contact physiological parameter detection technology, which has been widely used in blood oxygenation detection. However, traditional imaging devices still have issues such as low detection accuracy, narrower receiving spectral range. In this paper, we proposed two improved detection methods based on the dual-wavelength measurement principle, that is, dual-band IPPG signal ratio method and dual-band IPPG signal AC/DC method. To verify the effectiveness of the two methods, we used different heartbeat period IPPG signals as sample data sets, and combined PLS and RF algorithms for model training, thus obtaining the best data processing method. The experimental results showed that the dual-band IPPG signal AC/DC method can effectively reduce the model training time. This method meets the strong demand for non-contact blood oxygen measurement and provides a new measurement idea.

Contact allergic dermatitis to skin adhesive after CIED upgrade procedure.

INTRODUCTION: The utilization of skin adhesives for closure is typically secondary to its noninvasive application and aesthetic benefits. Allergic reactions to Dermabond™ can occur, though there are no reported cases in pediatric patients following cardiac implantable electronic device (CIED) implantation. The allergic reaction to skin glues is typically to cyanoacrylates, the primary component of Dermabond™. METHODS AND RESULTS: This report describes severe allergic contact dermatitis due to sensitization to cyanoacrylate in an 18-year-old with repaired congenital heart disease and postoperative atrioventricular block following CIED upgrade procedure. CONCLUSION: This demonstrates the importance of prompt diagnosis of allergic contact dermatitis, which can be confused with local infections.