bluuebunny/crossref_metadata_2025 huggingface dataset:
Genes involved in carbon, nitrogen, and sulfur cycling in an important estuarine ecosystem show coherent shifts in response to changes in environmental conditions
Authors: Preheim Sarah Pacocha , Morris Shaina , Zhang Yue , Holder Chris , Arora‐Williams Keith , Gensbigler Paul , Hinton Amanda , Jin Rui , Pradal Marie‐Aude , Buchanan Morgan , Gnanadesikan Anand
Published: November 2024

While metagenomics can provide insight into microbial community metabolic potential, understanding factors that influence gene abundance is necessary to maximize the information gained from this analysis. Gene abundances are influenced by chemical or physical conditions along with other factors, such as copy number variation between taxa, methodological biases, or issues associated with identification and classification. Here, we identify major drivers of spatiotemporal shifts in microbial gene relative abundance from multiple months, sites, and depths within Chesapeake Bay in 2017 using shotgun metagenomics. We compared changes in relative abundance of key genes for bacterial photosynthesis, nitrogen, and sulfur metabolism with each other and measured environmental variables. Major drivers of differences in key metabolic gene abundances are associated with environmental variables that largely change with depth and season (e.g., temperature, oxygen, phosphate). For sulfur oxidation, bacterial photosynthesis, and denitrification, genes within each process are generally significantly correlated with each other and with several environmental variables. For other processes, such as nitrification, nitrogen fixation, and dissimilatory nitrate reduction to ammonium, genes that encode enzymes within the same pathway are not well correlated. The lack of correlation typically results from differences in identified taxa carrying these genes, suggesting modular pathway structure, methodological errors, or discrepancies in gene copy number between taxonomic groups. To be suitable indicators of biogeochemical processes for models, genes or pathways should be strongly correlated with environmental variables and specific to and inclusive of all taxa mediating the associated process.
Production of Polyvinyl Alcohol/Amoxicillin – Chitosan/Collagen Hybrid Bilayer Membranes for Regeneration of Gingival Tissues
Authors: Aydin Ayca , Ulag Songul , Nouri Sabereh , Durasi Elif , Pelit Arayıcı Pelin , Tinaz Gülgün Bosgelmez , Güncü Mehmet Mücahit , Cakir Rabia , Gunduz Oguzhan , Ustundag Cem Bulent
Published: November 2024

Periodontal diseases, if untreated, can cause gum recession and tooth root exposure, resulting in infection and irreversible damage. Traditional treatments using autologous grafts are painful and often result in postoperative complications. Scaffolds offer a less invasive alternative, promoting cell proliferation and healing without additional surgery, thus enhancing comfort for patients and doctors. This study developed Chitosan (Chit)/Collagen (Col) film surfaces and drug‐loaded Polyvinyl Alcohol (PVA)/Amoxicillin (AMX) nanofibers using solvent casting and electrospinning methods, respectively. The surfaces are characterized by scanning electron microscopy (SEM), mechanical testing, Fourier Transform Infrared Spectroscopy (FTIR), and differential scanning calorimetry (DSC). Biocompatibility and antimicrobial properties are assessed using NIH/3T3 fibroblast cells and bacterial cultures. SEM images confirmed the structural integrity of AMX‐loaded 13% PVA nanofibers, while FTIR analysis validated the compositional integrity of PVA/AMX nanofibers and Chit/Col film hybrid surfaces. Cell studies showed over 90% viability for Chit/Col film + PVA/AMX nanofiber hybrid bilayer membranes, confirming their biocompatibility. The antimicrobial assessment indicated that the Chit/Col film + PVA/AMX (0.2%) nanofiber hybrid bilayer membrane exhibited superior efficacy against Streptococcus mutans. These findings suggest that this hybrid bilayer membrane can enhance cell growth, promote proliferation, and enable controlled drug release, offering significant promise for regeneration of gingival tissues.
Development of Mg‐Alginate Based Self Disassociative Bio‐Ink for Magnetic Bio‐Patterning of 3D Tumor Models
Authors: Coban Basak , Baskurt Mehmet , Sahin Hasan , Arslan‐Yildiz Ahu
Published: November 2024

Alginate forms a hydrogel via physical cross‐linking with divalent cations. In literature, Ca2+ is mostly utilized due to strong interactions but additional procedures are required to disassociate Ca‐alginate hydrogels. On the other hand, Mg‐alginate hydrogels disassociate spontaneously, which might benefit certain applications. This study introduces Mg‐alginate as the main component of a bio‐ink for the first time to obtain 3D tumor models by magnetic bio‐patterning technique. The bio‐ink contains magnetic nanoparticles (MNPs) for magnetic manipulation, Mg‐alginate hydrogel as a sacrificial material, and cells. The applicability of the methodology is tested for the formation of 3D tumor models using HeLa, SaOS‐2, and SH‐SY5Y cells. Long‐term cultures are examined by Live/dead and MTT analysis and revealed high cell viability. Subsequently, Collagen and F‐actin expressions are observed successfully in 3D tumor models. Finally, the anti‐cancer drug Doxorubicin (DOX) effect is investigated on 3D tumor models, and IC50 values is calculated to assess the drug response. As a result, significantly higher drug resistance is observed for bio‐patterned 3D tumor models up to tenfold compared to 2D control. Overall, Mg‐alginate hydrogel is successfully used to form bio‐patterned 3D tumor models, and the applicability of the model is shown effectively, especially as a drug screening platform.
Investigation of Release Kinetics of DOX from Polydopamine Nanocapsules Prepared by Hard Template Method
Authors: Abdollahi Elahe , Haddadi‐Asl Vahid , Ahmadi Hanie , Shirjandi Mastoure , Khanipour Fatemeh
Published: November 2024

Development of smart drug delivery systems (DDSs) for effective delivering drugs to targeted areas and achieving controlled drug release (CDR) is critical for cancer chemotherapy. The purpose of this study is synthesis of polydopamine (PDA) nanocapsules and analyze the adsorption and release properties of doxorubicin (DOX). PDA nanocapsules are manufactured using hard template approach. The influence of various parameters such as pH, adsorption time, and initial DOX content on the adsorption and release process is investigated. The resulting adsorption isotherm is consistent with the Langmuir isotherm, indicating that DOX adsorption on PDA nanocapsules is homogenous, uniform, and monolayer. PDA nanocapsules have an adsorption capacity of 689.6 mg g−1 under alkaline conditions, which is attributed to phenol group deprotonation mechanism and electrostatic repulsion. The adsorption kinetics are more consistent with the pseudo‐second‐order model. Furthermore, raising initial concentration of DOX results in a greatly increased adsorption capacity due to a larger driving force. Among the several parameters that can influence the pace and degree of DOX loading and release, local pH is regarded as a significant environmental component in the processes. Thus, pH‐responsive PDA nanocapsules have a significant potential for usage in locations with aberrant pH level, such as cancer tissue.
Proof‐of‐principle of 3D‐printed track‐end detectors for dosimetry in proton therapy
Authors: Bietenbeck Vicky , Bäcker Claus Maximilian , Wulff Jörg , Timmermann Beate , Bäumer Christian
Published: November 2024

Background

Dosimetric equipment in particle therapy (PT) is associated with high costs. There is a lack of versatile, tissue‐equivalent detectors suitable for in‐vivo dosimetry. Faraday‐cup (FC) type detectors are sensitive to stopped protons, that is, to track‐ends (TEs). They experience a renaissance in PT as they can cope with high dose rates. Owing to their simple functional principle, production of FC could benefit from the dynamic technological developments in additive manufacturing of sensors.

Purpose

To build FC‐type detectors for PT by standard 3D‐printing. This study seeks to build an integrating, single‐channel (SC) FC for replacement of a traditional FC and a array of FC elements indicating the feasibility of a spatially resolving detector.

Methods

Samples of FCs were produced with a dual‐extruder 3D‐printer with polylactic‐acid filaments, which contained graphite in the conductive parts of the detector. Production was optimized in terms of materials and printing temperature. Samples were characterized by electrical tests and non‐destructive 3D x‐ray imaging. Beam tests were conducted at a clinical PT machine.

Results

Operational FC‐type detectors for proton fields were printed. The detected charge of the SC FC corresponded qualitatively to the one of a traditional FC. A FC array was fabricated in a single run. There was a linear relationship between the response of the individual FC elements and the machine output.

Conclusions

3D‐printing is a viable method for producing low‐cost, tissue‐equivalent, FC‐type detectors for PT. They could potentially be used as TE detectors in anthropomorphic phantoms.
A bootstrapping residuals approach to determine the error in quantitative functional lung imaging
Authors: Slawig Anne , Weng Andreas Max , Veldhoen Simon , Köstler Herbert
Published: November 2024

Purpose

To implement and validate an algorithm to determine the statistical errors in self‐gated non‐contrast‐enhanced functional lung imaging.

Methods

A bootstrapping residuals approach to determine the error in quantitative functional lung imaging is proposed. Precision and accuracy of the median error over the lungs, as well as reproducibility of the approach were investigated in 7 volunteers. The algorithm was additionally applied to data acquired in a patient with cystic fibrosis.

Results

The obtained bootstrapping error maps appear comparable to the error maps determined from repeated measurements, and median absolute error values for both methods show comparable median errors when reducing the number of averages. In a volunteer in whom 10 consecutive measurements were carried out, the median functional parameters were ventilation = 0.22 mL gas/mL lung tissue, perfusion amplitude = 0.028, perfusion timing = −82 ms, whereas precision and accuracy of the median error were below 3.2 × 10−3 mL gas/mL lung for ventilation tissue, 4.4 × 10−4 for perfusion amplitude, and 11 ms for perfusion timing. In the measurement of the patient, low errors in areas with reduced ventilation support the assessment as real defects.

Conclusion

Using a bootstrapping residuals method, the error of functional lung MRI could be determined without the need for repeated measurements. The error values can be determined reproducibly and can be used as a future means of quality control for functional lung MRI.
Paramagnetic salt and agarose recipes for phantoms with desired T1 and T2 values for low‐field MRI
Authors: Jordanova Kalina V. , Fraenza Carla C. , Martin Michele N. , Tian Ye , Shen Sheng , Vaughn Christopher E. , Walsh Kevin J. , Walsh Casey , Sappo Charlotte R. , Ogier Stephen E. , Poorman Megan E. , Teixeira Rui P. , Grissom William A. , Nayak Krishna S. , Rosen Matthew S. , Webb Andrew G. , Greenbaum Steven G. , Witherspoon Velencia J. , Keenan Kathryn E.
Published: November 2024

Tissue‐mimicking reference phantoms are indispensable for the development and optimization of magnetic resonance (MR) measurement sequences. Phantoms have greatest utility when they mimic the MR signals arising from tissue physiology; however, many of the properties underlying these signals, including tissue relaxation characteristics, can vary as a function of magnetic field strength. There has been renewed interest in magnetic resonance imaging (MRI) at field strengths less than 1 T, and phantoms developed for higher field strengths may not be physiologically relevant at these lower fields. This work focuses on developing materials with specific relaxation properties for lower magnetic field strengths. Specifically, we developed recipes that can be used to create synthetic samples for target nuclear magnetic resonance relaxation values for fields between 0.0065 and 0.55 T. and mixing models for agarose‐based gels doped with a paramagnetic salt (one of CuSO4, GdCl3, MnCl2, or NiCl2) were created using relaxation measurements of synthetic gel samples at 0.0065, 0.064, and 0.55 T. Measurements were evaluated for variability with respect to measurement repeatability and changing synthesis protocol or laboratory temperature. The mixing models were used to identify formulations of agarose and salt composition to approximately mimic the relaxation times of five neurological tissues (blood, cerebrospinal fluid, fat, gray matter, and white matter) at 0.0065, 0.0475, 0.05, 0.064, and 0.55 T. These mimic sample formulations were measured at each field strength. Of these samples, the GdCl3 and NiCl2 measurements were closest to the target tissue relaxation times. The GdCl3 or NiCl2 mixing model recipes are recommended for creating target relaxation samples below 0.55 T. This work can help development of MRI methods and applications for low‐field systems and applications.
NSW cannabis medicines advisory service retrospective enquiry analysis to inform clinical guidance resource development
Authors: Graham Myfanwy , Eden Edward , Maddison Kelsey , Lago Luise , Allingham Samuel , Lucas Catherine J. , Schneider Jennifer , Martin Jennifer H.
Published: November 2024

Background

An innovative New South Wales government funded statewide Cannabis Medicines Advisory Service (CMAS) operated between January 2018 and June 2022. The service provided comprehensive patient‐specific and evidence‐based information to support health professionals in prescribing and patient care decisions. This study aimed to describe real‐world data collected by CMAS.

Methods

A sub‐set of de‐identified, patient‐specific enquiries collected between January 2021 and June 2022 (n = 123/567; 21.7%) were analyzed using R version 4.2.1. Diagnosis, indication, and comorbidities were coded using Medical Dictionary for Regulatory Activities (MedDRA) terminology.

Results

Most patient‐specific enquiries from medical practitioners were from general practitioners (n = 103/123; 83.7%). Female (n = 53/123; 43.1%) and male (n = 59/123; 48.0%) patients were similarly represented. Sex was not specified for 8.9% (n = 11/123) of patients. The mean age of patients was 52.1 years (range <10–90). The most common three diagnoses were osteoarthritis, anxiety, and chronic pain. Indications that were most frequently reported included chronic pain, anxiety, back pain, non‐neuropathic pain, and insomnia. Comedications were most commonly non‐opioid and opioid analgesics and antidepressants. Most practitioners were considering prescribing a cannabidiol (CBD) product for their patient. Cannabinoid composition selection guidance provided by CMAS was predominantly (delta‐9‐tetrahydrocannabinol) THC:CBD ~1:1, followed by CBD‐only products. CMAS was contacted by health professionals regarding the management of potential adverse events for five patients.

Conclusion

The findings of this study shed light on the information medical practitioners were seeking to inform their clinical decision‐making about medical cannabis and can inform the development of clinical guidance resources.
Quantifying the Effect of the Cross‐Facial Nerve Graft on the Nonparalyzed Side
Authors: Witsberger Chelsey A. , Dermody Sarah M. , Kim Jennifer C. , Drake Virginia E.
Published: November 2024

Objective

The cross‐facial nerve graft (CFNG) is employed in facial reanimation surgery to restore neural connectivity from the nonparalyzed side of the face to the paralyzed side, facilitating spontaneous smiling. Typically, the sural nerve, due to its length, serves as the donor graft. Implantation involves functional facial branch transection to provide graft input. However, impact of this transection on a patient's smile has not been conclusively quantified.

Study Setting & Design

Tertiary Care Academic Medical Center; retrospective chart review.

Methods

In a chart review of patients from 2018 to 2022, 15 patients with unilateral flaccid facial paralysis who underwent CFNG were identified. Demographic and clinical data were collated including medical history and operative details. Emotrics software was used to compare preoperative and postoperative photographs by measuring smile parameters. Percent change was analyzed via Student's T‐test.

Results

A zygomatic branch was sacrificed in 8/15 (53%) surgeries and a buccal branch in 4/15 (27%) surgeries. When evaluating smile angle, dental show, upper lip height deviation, and commissure excursion for open and closed smiles, the average relative change for the nonparalyzed side was 3.4%, 2.8 mm, 12.5%, 3.0 mm, and 1.9% respectively. When comparing these metrics preoperatively and postoperatively in the functional side, there was no statistically significant difference (P = .13, P = .65, P = .33, P = .36, P = .64).

Conclusion

There was no significant difference in our assessment of smile after facial branch transection in CFNG, suggesting the impact on a patient's smile may be negligible. Additional studies are needed to characterize qualitative impact on patients and result generalizability.
Distribution Worker Apprenticeship Program Creates a Pipeline of Future Talent
Authors: Bonhart Denita , Elliott Juan , Rowland Carly
Published: November 2024

Cleveland Water, a division of the City of Cleveland Department of Public Utilities (DPU), has taken a proactive stance on developing and attracting industry talent by establishing its successful Water Distribution Worker Apprenticeship Program. The initiative bridges the workforce gap and promotes diversity, inclusivity, and long‐term sustainability in the water industry.
Improvement of the stability with a TRT‐collision scheme in a Lattice Boltzmann method for elastic solids
Authors: Müller Henning , Panov Justinijan , Müller Ralf
Published: November 2024

In recent years, Lattice Boltzmann (LB) schemes have been adapted to the simulation of elastodynamics. The resulting methods show promising characteristics, especially the computational efficiency and the scaling to large systems. A constitutive model is needed for solids, which is captured by a source term in the LB formulation. However, this approach leads to problems with the numerical stability for a large regime of material parameters. In this publication, a linear elastic material model is regarded. This work regards the underlying reasons for instabilities. As a remedy, a two‐relaxation‐time collision operator is employed. Effects on the stability are examined through error measures of a dynamical simulation model.
How to Utilize University Nursing Clinic Resources Successfully to Transition Autistic Adolescents into Higher Education
Authors: McIntosh Constance E. , Wendel Janelle
Published: November 2024

Autism Spectrum Disorder (ASD) is complex neurodevelopmental disorder that is exhibited through a wide‐range of symptoms including social interactions, communication deficits, limited interests, and repetitive behaviors (e.g., stimming). The prevalence of autism amongst children and adolescents continues to grow with 1 in 36 diagnosed annually (CDC, 2024). Because autism often comes with a myriad of comorbidities (e.g., sleep disorders, seizure activity, nutritional imbalances, gastrointestinal issues, and mental health disorders), children and adolescents are often prescribed medications and/or treatments to help with the management of these chronic diseases. Croen et al., (2006) found that adolescents are six times more likely to be hospitalized than their neuro‐typical peers. Managing autism takes a multi‐disciplinary approach. Navigating a large university system, academics, and being away from home can be challenging for any teenager. But, adding the complexity of managing a chronic neurodevelopmental disorder on top of the new environment could potentially be overwhelming for the autistic adolescent. It makes sense to use all available resources when transitioning into a college setting. Registered nurses (RN) and advanced practice nurses (APN) are employed at university clinics to help manage student healthcare issues including acute healthcare problems (e.g., viruses), traumatic issues, and chronic healthcare issues. This paper will examine how nursing professionals can assist autistic adolescents when they are entering into a college environment by managing medications and other treatment modalities while being a student advocate within a multi‐disciplinary team.
Long Term Ventilation in Pediatric Central Apnea: Etiologies and Therapeutic Approach over a Decade
Authors: Presti Santiago , Pavone Martino , Verrillo Elisabetta , Paglietti Maria Giovanna , Del Colle Anna , Leonardi Salvatore , Cutrera Renato
Published: November 2024

Objective

This retrospective study aimed to analyze the clinical characteristics, ventilatory strategies, and effectiveness of ventilation in pediatric patients with central apneas treated at the Sleep Medicine and Long‐Term Ventilation Unit of the Bambino Gesù Children's Hospital in Rome from 2012 to 2022.

Methods

Among all ventilated patients at our Center from January 2012 to December 2022, we retrospectively included children with a cAHI ≥ 1 events/h on baseline poly(somno)graphic study. Additional parameters assessed included the underlying disease, type of ventilation (non‐invasive vs. invasive), age at ventilation onset, ventilation mode, and transcutaneous capnometry parameters. To assess the effectiveness of ventilation on central apneas, we compared the cAHI at baseline and on ventilation.

Results

Sixty‐seven patients met the inclusion criteria for central apnea (cAHI > 1 events/h). Diagnoses included hypoxic‐ischemic encephalopathy, 15 (22.4%); Ondine syndrome, 14 (20.9%); polymalformative syndrome, 10 (14.9%); Prader‐Willi syndrome, 8 (11.9%); brain tumor, 6 (9.0%); Down syndrome, 4 (6.0%); ROHHAD syndrome, 2 (3.0%); other infrequent pathologies were, Arnold‐Chiari II, primary central apnea, epilepsy, lisosomal diseases, hydrocephalus, myopathy, obesity, Rett Syndrome. Pressure‐supported ventilation (PSV) was the most common mode used (45 out 67 patients, 67.2%), followed by pressure‐controlled ventilation (PCV) (15 out 67 patients, 22.4%) and continuous positive airway pressure (CPAP) (7 out 67 patients, 10.4%). Statistically significant improvement (p < 0.05) in cAHI was observed in patients with polymalformative syndrome (3.5 vs. 0.3, p = 0.01), hypoxic‐ischemic encephalopathy (3.1 vs. 0.1, p = < 0.01), and Prader‐Willi syndrome (3.5 vs. 0.1, p = 0.03), while there was no significant improvementn in children with brain tumor (6.2 vs. 1.5, p = 0.21).

Conclusion

Central apneas are present in children with various underlying pathologies. Ventilatory strategies tailored to the specific diagnosis and severity of central apneas yield significant improvements in cAHI. PSV was the preferred ventilation mode in this study and there was notable effectiveness across different diagnostic categories. PCV was employed in most severe cases. CPAP was exclusively used in patients with predominantly obstructive sleep apneas.
Unveiling the GT114 family: Structural characterization of A075L, a glycosyltransferase from Paramecium bursaria chlorella virus‐1 (PBCV‐1)
Authors: Laugieri Maria Elena , Speciale Immacolata , Gimeno Ana , Lin Sicheng , Byers Brock W. , Poveda Ana , Núñez‐Franco Reyes , Iturrioz Idoia , Moure María J. , Jiménez‐Osés Gonzalo , Russo‐Krauss Irene , Notaro Anna , Van Etten James L. , Lowary Todd L. , Jimenez‐Barbero Jesús , De Castro Cristina , Tonetti Michela , Rojas Adriana L.
Published: November 2024

Protein A075L is a β‐xylosyltransferase that participates in producing the core of the N‐glycans found in VP54, the major viral capsid protein of Paramecium bursaria chlorella virus‐1 (PBCV‐1). In this study, we present an X‐ray crystallographic analysis of the apo form of A075L, along with its complexes with the sugar donor and with a trisaccharide acceptor. The protein structure shows a typical GT‐B folding, with two Rossmann‐like fold domains, in which the acceptor substrate binds to the N‐terminal region, and the nucleotide‐sugar donor binds to the C‐terminal region. We propose that the catalytic mechanism follows a direct displacement SN2‐like reaction, where Asp73 serves as a catalytic base that deprotonates the incoming nucleophile of the acceptor, facilitating direct displacement of the UDP with the inversion of the anomeric configuration of the acceptor without metal ion dependence, while the interactions with side chains of Arg158 and Arg208 stabilize the developing negative charge. Using isothermal titration calorimetry, nuclear magnetic resonance spectroscopy, high‐performance liquid chromatography, and molecular dynamics simulations, the catalytic activity and specificity of this enzyme have been unraveled.
Structure‐based clustering and mutagenesis of bacterial tannases reveals the importance and diversity of active site‐capping domains
Authors: Coleman Tom , Viknander Sandra , Kirk Alicia M. , Sandberg David , Caron Elise , Zelezniak Aleksej , Krenske Elizabeth , Larsbrink Johan
Published: November 2024

Tannins are critical plant defense metabolites, enriched in bark and leaves, that protect against microorganisms and insects by binding to and precipitating proteins. Hydrolyzable tannins contain ester bonds which can be cleaved by tannases—serine hydrolases containing so‐called “cap” domains covering their active sites. However, comprehensive insights into the biochemical properties and structural diversity of tannases are limited, especially regarding their cap domains. We here present a code pipeline for structure prediction‐based hierarchical clustering to categorize the whole family of bacterial tannases, and have used it to discover new types of cap domains and other structural insertions among these enzymes. Subsequently, we used two recently identified tannases from the gut/soil bacterium Clostridium butyricum as model systems to explore the biochemical and structural properties of the cap domains of tannases. We demonstrate using molecular dynamics and mutagenesis that the cap domain covering the active site plays a major role in enzyme substrate preference, inhibition, and activity—despite not directly interacting with smaller substrates. The present work provides deeper knowledge into the mechanism, structural dynamics, and diversity of tannases. The structure‐based clustering approach presents a new way of classifying any other enzyme family, and will be of relevance for enzyme types where activity is influenced by variable loop or insert regions appended to a core protein fold.
RNA interference‐mediated targeting of monooxygenase SsMNO1 for controlling Sclerotinia stem rot caused by Sclerotinia sclerotiorum
Authors: Han Lili , Li Yali , Yuan Zihong , Wang Jing , Tian Binnian , Fang Anfei , Yang Yuheng , Bi Chaowei , Yu Yang
Published: November 2024

BACKGROUND

Sclerotinia sclerotiorum is a devastating fungal pathogen that poses a threat to a variety of economically important crops. Owing to the lack of highly resistant cultivars and the prolonged survival of sclerotia, effective control of Sclerotinia diseases remains challenging. RNA interference (RNAi) agents targeting essential active transcripts of genes associated with the development and virulence of pathogens are a valuable and promising disease control method.

RESULTS

Our finding suggested that a flavin adenine dinucleotide (FAD)‐dependent monooxygenase gene SsMNO1 plays pivotal roles in the hyphal growth, sclerotial development, and virulence of S. sclerotiorum, rendering it a potential target for RNAi‐mediated management of S. sclerotiorum. The external application of double‐stranded RNA (dsRNA) targeting SsMNO1 inhibited sclerotial development in artificial media and plant tissues. Furthermore, dsRNA significantly reduced the hyphal virulence of S. sclerotiorum in host plants by interfering with SsMNO1 expression. The inhibitory activity persisted for over 1 week on the surface of Brassica napus. Artificial small interfering RNA (siRNA) targeting SsMNO1 also exhibited inhibitory effects. Transgenic Arabidopsis thaliana plants expressing SsMNO1 hairpin RNAi constructs showed increased resistance to S. sclerotiorum infection. Notably, the total RNA extracts from SsMNO1‐RNAi plants also reduced the hyphal virulence in Brassica napus.

CONCLUSIONS

Therefore, RNAi agents targeting SsMNO1 have dual effects on sclerotial development and hyphal virulence, rendering it an ideal target for controlling diseases caused by S. sclerotiorum. © 2024 Society of Chemical Industry.
Sensitivity of the Energy Conversion Efficiency of Tropical Cyclones During Intensification to Sea Surface Temperature and Static Stability
Authors: Lai Tsz‐Kin , Toumi Ralf
Published: November 2024

It is projected that the sea surface temperature (SST) increases under climate change and enhances tropical cyclone (TC) intensification directly. An opposing expected feature of climate change is the strengthening atmospheric static stability, which may suppress intensification. The intensity and diabatic heating are closely related through the secondary circulation, but it has been unclear whether both will change at the same rate. Here we show that they respond differently to stability changes. The efficiency of converting diabatic heating to kinetic energy (KE) of TCs to SST and static stability during the intensification stage is examined. In a set of idealised simulations, the efficiency does not have a significant relation with the SST. However the efficiency is found to decrease with increasing static stability at a rate of about K. It is shown that the KE increment declines, while the diabatic heating in the eyewall remains unchanged with larger static stability. The decrease in KE gain at the eyewall is associated with an enhanced outward advection of absolute angular momentum. The combined effect of enhanced water‐vapour supply and the slightly reduced updraft at the eyewall keeps the diabatic heating steady with varying static stability. This study demonstrates the complex effects of enhanced static stability, which is expected to accompany surface warming, on tropical cyclones.
Qualitative Aspects of System Dynamics Modeling
Authors: Stave Krystyna , Zimmermann Nici , Kim Hyunjung
Published: November 2024

It is difficult to imagine a system dynamics study without any qualitative aspects. Defining the dynamic problem of interest, representing the causal structure generating the problem's dynamic behavior, and using the model to serve the purpose of the study all involve qualitative processes, elements, and decisions. The 17 papers in this Special Issue illustrate the richness and diversity of qualitative aspects in the field and show how thoroughly qualitative aspects are integrated into every stage of system dynamics practice from problem specification to model formulation and model use. They also present exciting ways people are innovating with qualitative aspects, advancing model use with diverse audiences, and thinking deeply about what policy makers, stakeholders, and clients need to best motivate action. The papers show general agreement about the definitions of “small” qualitative concepts, such as qualitative variables, qualitative data, and qualitative procedures and less agreement about the definitions of “large” qualitative constructs such as qualitative models or qualitative modeling. Overall, this collection lays the groundwork for further reflection about the value and practice of qualitative aspects of system dynamics and suggests some paths forward. © 2024 System Dynamics Society.
Sulfamic Acid Catalyzed One‐Pot Three‐Component Synthesis of Spiro‐Oxindole Fused Dihydroquinazolinone Derivatives in Aqueous Medium
Authors: Banerjee Bubun , Sharma Aditi , Priya Anu , Singh Arvind , Kaur Manmeet
Published: November 2024

A simple, efficient, and straightforward protocol has been developed for the synthesis of spiro‐oxindole fused dihydroquinazolinone derivatives from one‐pot three‐component reactions of isatoic anhydride, various primary anilines, and substituted isatins using a catalytic amount of sulfamic acid as an organocatalyst in water under refluxed conditions. All the synthesized compounds were formed within just 2 h and isolated pure by simple filtration with excellent yields (89%–94%). Gram scale production, use of commercially available low‐cost organocatalyst, green solvent, reusability of the medium, one‐pot three‐component reaction strategy, no column chromatography, and high atom economy are some of the major benefits of this newly developed protocol.
Sequential Decarboxylation, Substitution, Cyclization and Oxidation with Iodine‐DMSO Catalytic System: A New Methodology for the Construction of Imidazoquinoxaline Motifs
Authors: Chiranjeevi Yakkanti , Kumar Ganta Ravi , Rao Lakinani Vaikunta , Golagani Srinuvasarao , Simhachalam Gorle , Satyender Apuri
Published: November 2024

A one‐pot synthetic protocol has been developed using aryl acetic acid as new and alternate surrogate for the synthesis of 4‐aryl imidazoquinoxalines with molecular iodine‐DMSO green catalytic system under classical heating at 100–110 °C. A variety of quinoxaline derivatives containing quinoline are prepared by using this methodology. This new protocol has a potential to tolerate broad substrates, that is, different amines and aryl acetic acids.
Synthetic Methodology, SAR and Pharmacology of Commercialized Preparations Employing 1, 2, 4‐Triazole Analogues
Authors: Singh Sucheta , Kaira Meenakshi , Dey Hrithik , Pandey Kailash C. , Tahlan Sumit , Singh Kuldeep
Published: November 2024

The domain of medicinal chemistry has witnessed a notable surge of interest in triazoles owing to their unique structural characteristics and wide range of applications. The versatility of their synthesis methods has facilitated the creation of compound libraries with remarkable pharmacological activities, including antiviral, antiepileptic, anxiolytic, hypnotic/sedatives anticancer, antifungal, and antidepressant activities. Several techniques have been documented in the literature for generating 1,2,4‐triazole derivatives. The mechanisms governing the pharmacological effects of the formulations containing 1,2,4‐triazoles were elucidated and made clear. In addition to reviewing existing marketed formulations, this review explores emerging trends and innovations in this field. This review offers a comprehensive perspective on the importance of triazoles for influencing contemporary research, fostering innovation, and driving technological progress.
On‐Surface Synthesis of Covalently‐Linked Carbaporphyrinoid‐Based Low‐Dimensional Polymers
Authors: Barragán Ana , Urbani Maxence , Gallardo Aurelio , Pérez‐Elvira Elena , Jover Óscar , Lauwaet Koen , Gallego José M. , Miranda Rodolfo , Giovannantonio Marco Di , Écija David , Torres Tomás , Urgel José I.
Published: November 2024

The synthesis of porphyrinoid‐based low‐dimensional polymers has recently attracted considerable interest in view of their intriguing electronic, optical, and catalytic properties. Here, this is introduced by the surface‐assisted synthesis of two carbaporphyrinoid‐based polymers of increasing dimensionality under ultrahigh‐vacuum conditions. The structural and electronic characterization of the resulting polymers has been performed by scanning tunneling and non‐contact atomic force microscopies, complemented by theoretical modeling. First, a carbon‐carbon coupling between dicarbahemiporphyrazine precursors is achieved by thermal activation of their isopropyl substituents via a [3+3] cycloaromatization, giving rise to one‐dimensional (1D) polymers. Second, the same precursor is functionalized with chlorine atoms to complement the [3+3] cycloaromatization with orthogonal dehalogenation and homocoupling, affording two‐dimensional (2D) molecular nanostructures. In addition, both low‐dimensional free‐base porphyrinoid‐based polymers are exposed to an atomic flux of cobalt atoms, giving rise to cobalt‐metalated macrocycles, with the metal atoms coordinated only to the two pyrrolic nitrogens, in contrast to the typical four‐fold coordination that occurs inside tetrapyrroles. This on‐surface protocol renders atomically precise covalently‐linked porphyrinoid polymers and provides promising model systems toward the exploration of low‐coordinated metals with utility in diverse technological areas.
UV‐Induced Degradation of Industrial PERC, TOPCon, and HJT Solar Cells: The Next Big Reliability Challenge?
Authors: Thome Fabian T. , Meßmer Pascal , Mack Sebastian , Schnabel Erdmut , Schindler Florian , Kwapil Wolfram , Schubert Martin C.
Published: November 2024

With the surge of UV‐transparent module encapsulants in the photovoltaic industry aiming to boost quantum efficiency, modern silicon solar cells must now inherently withstand UV exposure. UV‐induced degradation (UVID) of nonencapsulated laboratory and industrial solar cells from several manufacturers is investigated. Passivated emitter rear contact (PERC), tunnel oxide passivating contact (TOPCon), and silicon heterojunction (HJT) cells can suffer from severe implied voltage degradation (>20 mV) after UV exposure relating to 3.8 years of module installation in the Negev desert. Front UV‐exposure causes more performance loss than an equal rear dose. This is connected to a higher UV transmission of the cell layers outside the bulk, indicating the photons need to reach the silicon surface to induce damage. Current–voltage measurements of the TOPCon groups most sensitive to UV degradation show more than 7%rel efficiency loss with the Voc as the main contributor. For two TOPCon groups, dark storage for 14 days after UV exposure causes an additional voltage drop on a similar scale as the UV damage itself, impeding straightforward reliability testing. UVID appears to be a complex process general to all dominant cell architectures with the potential to diminish efforts in efficiency optimization within only a few years of field employment.
Is There a Correlation Between Readme Content and Project Meta‐Characteristics?
Authors: Venigalla Akhila Sri Manasa , Chimalakonda Sridhar
Published: November 2024

Context

Developers often turn to readme files in GitHub repositories when they intend to contribute, reuse, or extend a project. These files act as a primary source of information, offering insights into various aspects of the repository. The content and organization of readme can have a significant impact on the project's popularity, its development progress, and the growth of its community.

Objective

We examine the growth of GitHub repositories through the lens of their meta‐characteristics, which encompass factors like popularity, community engagement, and development progress, to study the relationship of readme files with repository growth. To achieve this, we conduct a correlation analysis to assess the relationship between project meta‐characteristics and the content and organization of a readme file.

Methods

To conduct a correlation analysis between readme files and project meta‐characteristics, we compiled a data set of readme files from 2000 public GitHub repositories, encompassing 10 primary programming languages. We define metrics for popularity, progress, and community engagement meta‐characteristics and analyze the correlation of structural features and categorical content in readme files against these metrics using non‐parametric statistical tests.

Results

The results are presented from three distinct perspectives of project meta‐characteristics across 10 programming languages. The results reveal a positive and strong association of external reference links, contribution guidelines, and team details in readme files with better popularity and larger community size. However, the influence of contribution guidelines in readme files on rate of progress is not clearly evident.

Conclusion

The study was conducted to assess the correlation of readme file content on repository popularity, development progress, and community size. Our experiments revealed positive correlations between readme content and project meta‐characteristics. However, the extent of correlation varied between repositories across programming languages and meta‐characteristics. We discussed the implications of our findings for developers and researchers and have proposed recommendations for repository owners to organize readme files toward increasing the growth of the repositories with better meta‐characteristics.
UK animal therapists’ confidence in executing professional skills in clinical practice
Authors: Sear Alice , Wills Alison P.
Published: November 2024

Background

Veterinary physiotherapy and hydrotherapy are popular modalities in the UK, yet little is known about the confidence of therapists responsible for performing these treatments. A lack of confidence may have a detrimental impact on patients; therefore, this study investigated the effect of age, species specialisation, educational level, occupation, qualifications, experience and years practising on animal therapists' confidence in executing professional skills.

Methods

An online survey was conducted to collect quantitative data regarding UK‐based therapists’ confidence in the completion of entrustable professional activities (EPAs). In addition, semi‐structured interviews were conducted to explore participants' perceptions of therapy qualifications and their personal experiences in clinical practice.

Results

Occupation, educational level and therapy qualification had a significant effect (p < 0.05) on participants' confidence in performing all EPAs. Experience had a significant effect (p < 0.05) on four EPAs; those with less than 1 year of experience had the lowest confidence scores, with increased experience in the animal industry and as an animal therapist resulting in a rise in confidence.

Limitations

This study relied on participants reporting their own limitations and could have further explored why animal therapists choose to obtain specific qualifications.

Conclusions

Providing support to new graduates may improve their confidence. In addition, it is important that qualifications adequately prepare animal therapists for clinical practice.
Rare‐Earth 4‐Hydroxyphenylacetate Complexes: Synthesis, Structural Characterization, and Corrosion Inhibition Properties
Authors: Salpadoru Thuppahige Naveena Yasaswin , Guo Zhifang , Deacon Glen B. , Somers Anthony E. , Junk Peter C.
Published: November 2024

Four structural types of rare‐earth aqua 4‐hydroxyphenylacetate complexes {[Ce(L)3(H2O)2]·H2O}n (a), {[RE2(L)6(H2O)]·4H2O]}n (RE = Nd (b), Gd (c)), {[RE2(L)6(H2O)]·3H2O]}n (RE = Dy (d), Y (e)), {[RE2(L)6(H2O)]·5H2O]}n (RE = Er (f), Yb (g)), (L = 4‐hydroxyphenylacetate) have been synthesized by salt metathesis reactions of corresponding rare‐earth metal chlorides or nitrates and sodium 4‐hydroxyphenylacetate (NaL) in a water/ethanol solvent system. The compounds are targeted for structural interest and to determine if the 4‐hydroxy (4‐OH) substituent would enhance the anti‐corrosion properties of rare‐earth phenylacetates. Single crystal X‐ray diffraction (XRD) determined the crystal structures of all compounds except the complex of Gd (c), which was shown to be isomorphous with the Nd complex (b) by the powder XRD pattern. All compounds were obtained as one‐dimensional polymeric structures. The structure of a differs in being a monometallic repeating unit and having two coordinated waters whilst the others have binuclear repeating units that resulted from the alternating coordination of one water molecule along the chain. Weight loss and potentiodynamic polarization tests reveal that {[Gd2(L)6(H2O)]·4H2O}n has the best corrosion inhibition properties for mild steel in 0.01 M NaCl. Furthermore, all a–g complexes are more effective corrosion inhibitors than the aqua and 2,2’‐bipyridine (bpy) complexes of unsubstituted phenylacetate indicating that 4‐OH substitution of phenylacetate enhances anti‐corrosion properties.
Some Properties of a Non-hydrostatic Stochastic Oceanic Primitive Equations Model
Authors: Debussche Arnaud , Mémin Etienne , Moneyron Antoine
Published: November 2024

In this chapter, we study how relaxing the classical hydrostatic balance hypothesis affects theoretical aspects of the LU primitive equations well-posedness. We focus on models that sit between incompressible 3D LU Navier-Stokes equations and standard LU primitive equations, aiming for numerical manageability while capturing non-hydrostatic phenomena. Our main result concerns the well-posedness of a specific stochastic interpretation of the LU primitive equations.
Analysis of an epidemiology model with a removal-rate parameter
Authors: Rustein Brenda , Schochet Steve
Published: November 2024

An epidemiology model is presented that interpolates between the classical SIS and SIR models. In contrast to those models, in the SI

$$-\varepsilon \,\hbox {R}-(1-\varepsilon $$

-
ε

R
-
(
1
-
ε

)S model individuals may become infected a finite number of times that is greater than one. Extensions of the model in which one or both of the S and I compartments is divided into sub-compartments allow the computation of the proportion of susceptibles who never get infected or who become infected exactly once. In the singular limit

$$\varepsilon \rightarrow 0$$

ε
→
0

in which the SI

$$-\varepsilon \, \hbox {R}-(1-\varepsilon $$

-
ε

R
-
(
1
-
ε

)S model approaches the SIS model, the number of susceptibles converges uniformly in time but the number of infectives does not converge to the number of infectives in the SIS model. However, appropriately renormalized solutions of the SI

$$-\varepsilon $$

-
ε

  R

$$-(1-\varepsilon $$

-
(
1
-
ε

)S model differ for all time by at most

$$O(\varepsilon )$$

O
(
ε
)

from the corresponding solutions to a modified SIS model in which the basic reproduction number decays over time.
Health-related quality of life and symptom-specific functional impairment among patients treated with parenterally administered complement inhibitors for paroxysmal nocturnal hemoglobinuria
Authors: Dingli David , Rizio Avery A. , Broderick Lynne , LaGasse Kaitlin , Rucker Sloan , Carty Michelle K. , Burton Elise , Gordon Shaquilla , Yen Glorian P. , Paulose Jincy , Geevarghese Anumaxine , Lee Soyon
Published: November 2024

This study describes the health-related quality of life (HRQoL) and symptom-specific functional impairment of patients with paroxysmal nocturnal hemoglobinuria (PNH) in a real-world setting. US-based adults with PNH treated with a parenterally administered complement inhibitor (PACI) for ≥ 6 months completed an online, cross-sectional, observational survey; a subset of patients also participated in semi-structured qualitative interviews. The survey included the PROMIS® 29 + 2 Profile v2.1 (PROMIS 29 + 2) to measure HRQoL. The FACIT-Fatigue, Neuro-QOL Item Bank v2.0 Cognitive Function Short Form, and PROMIS Item Bank v1.0 Dyspnea Functional Limitations 10a Short Form measured symptom-specific functional impairment. For each patient with PNH who completed the online survey, 3 age- and sex-matched adults from the general population (GP) also completed the survey. The HRQoL and functional impairment of the PNH sample were compared to that of the GP sample. The association between HRQoL/functional impairment and fatigue severity for the PNH sample was also investigated. Compared to the age- and sex-matched GP sample, patients treated with PACIs for PNH had significantly worse HRQoL and greater functional impairment for all measured domains (p < 0.05). Within the PNH sample, statistically significant associations (p < 0.05) were observed between fatigue severity and HRQoL/functional impairment for all outcomes except the PROMIS 29 + 2 Sleep Disturbance domain. Interview participants described fatigue-related impairments in their physical, social, and cognitive functioning. Despite receiving treatment for PNH, patients experienced deficits in HRQoL and functional impairment, suggesting that opportunities to improve patient-relevant outcomes through treatment should be identified.