bluuebunny/crossref_metadata_2025 huggingface dataset:
Gefährdung durch Alltagschemikalien
Authors: Fischer Florence , Zenclussen Ana C. , Meyer Nicole
Published: July 2023

Ob Bisphenole aus Plastikprodukten, per- und polyfluorierte Alkylsubstanzen (PFAS) aus Regenschutzkleidung oder Parabene aus Kosmetikprodukten – diese und weitere Chemikalien gelangen in jeden Haushalt und stellen eine potenzielle Gefahr für die Gesundheit dar, insbesondere während der sensiblen Phase der Schwangerschaft. Eine von uns durchgeführte Studie bestätigt den großen Bedarf an und den Wunsch von Frauen nach Aufklärung über Auswirkungen von Umweltchemikalien im Rahmen der Schwangerschaftsvorsorge.
Neural networks for inline segmentation of image data in punching processes
Authors: Lorenz Maximilian , Martin Robert J. , Bruecklmayr Thomas , Donhauser Christian , Pinzer Bernd R.
Published: July 2023

Punching is a process that is sensitive to a multitude of parameters. The estimation of part and punch quality is often based on expert knowledge and trial-and-error methods, mostly carried out as a separate offline process analysis. In a previous study, we developed an optical inline monitoring system with subsequent image processing which showed promising results in terms of capturing every manufactured part, but was limited by slow image processing. Here, we present a more efficient image processing technique based on neural networks. For our approach, we manually identify the burnish parts in images based on criteria established via an expert survey in order to generate a training dataset. We then employ a combination of region-based and boundary-based losses to optimize the neural network towards a segmentation of the burnish surface which allows for an accurate measurement of the burnish height. The hyperparameter optimization is based on custom evaluation metrics that reflect the requirements of the burnish surface identification problem as well. After comparing different neural network architectures, we focus on optimizing the backbone of the UNet++ structure for our task. The promising results demonstrate that neural networks are indeed capable of an inline segmentation that can be used for measuring the burnish surface of punching parts.
Impacts of the COVID lockdown on household incomes: evidence from Punjab, India
Authors: Sanyal Anirban , Singh Nirvikar , Kapoor Rolly
Published: July 2023

In response to the beginnings of the COVID-19 pandemic, India’s government instituted a severe nationwide lockdown in late March 2020. In this paper, we analyze household survey data on income from an Indian state, Punjab. We analyze the impacts of the pandemic and lockdown on total household income, as well as its components, including wages, business income and transfers. This paper innovates in this area by using Poisson Pseudo Maximum Likelihood estimation to deal with the skewed distributions of various income components, as well as quantile regressions to examine differential impacts across the income distribution. We examine the differences between rural and urban households, differential impacts on female-headed and laborer households, and the time pattern of impacts. We find that rural households experienced more persistent income declines than urban households, and their wages suffered relatively more. Households with daily laborers were most badly affected, and this was especially true at the bottom of the income distribution.
Allicin and Omega-3 fatty acids attenuates acetaminophen mediated renal toxicity and modulates oxidative stress, and cell apoptosis in rats
Authors: Elsafty Moamen , Abdeen Ahmed , Aboubakr Mohamed
Published: July 2023

Acetaminophen (APAP), a widely used medication known for its pain-relieving and fever-reducing effects, can cause kidney failure if taken in excess. To investigate the potential protective effects of allicin (ALC) and/or omega-3 fatty acids (O3FA) against acetaminophen-induced kidney damage, a study was conducted using 49 rats divided into seven groups. The control group was given saline, while the other groups received ALC, O3FA, APAP, ALC + APAP, O3FA + APAP, or ALC + O3FA + APAP. After administering APAP, the rats showed decreased levels of total protein and albumin in their blood, along with increased levels of creatinine and urea. The concentration of reduced glutathione (GSH), as well as the activity of superoxide dismutase (SOD) and catalase (CAT), decreased, while the level of malondialdehyde (MDA) in the renal tissues increased. The activation of caspase-3 and HSP70 also suggested an impact on kidney histopathology. Overall, the study found that ALC and/or O3FA may have a protective impact against acetaminophen-induced kidney damage through their anti-inflammatory, anti-apoptotic, and antioxidant defense systems.
The maximal subgroups of the exceptional groups $F_{4}(q)$, $E_{6}(q)$ and $^{2}\!E_{6}(q)$ and related almost simple groups
Authors: Craven David A.
Published: July 2023

This article produces a complete list of all maximal subgroups of the finite simple groups of type $F_{4}$

F
4

, $E_{6}$

E
6

and twisted $E_{6}$

E
6

over all finite fields. Along the way, we determine the collection of Lie primitive almost simple subgroups of the corresponding algebraic groups. We give the stabilizers under the actions of outer automorphisms, from which one can obtain complete information about the maximal subgroups of all almost simple groups with socle one of these groups. We also provide a new maximal subgroup of $^{2}\!F_{4}(8)$

F
4

2

(
8
)
, correcting the maximal subgroups for that group from the list of Malle. This provides the first new exceptional groups of Lie type to have their maximal subgroups enumerated for three decades. The techniques are a mixture of algebraic groups, representation theory, computational algebra, and use of the trilinear form on the 27-dimensional minimal module for $E_{6}$

E
6

. We provide a collection of supplementary Magma files that prove the author’s computational claims, yielding existence and the number of conjugacy classes of all maximal subgroups mentioned in the text.
Impact of Unplanned Intra‐Operative Conversions on Outcomes in Minimally Invasive Pancreatoduodenectomy
Authors: Karunakaran Monish , Marshall‐Webb Matthew , Ullah Shahid , Barreto Savio George
Published: July 2023

Background

Minimally‐invasive pancreatoduodenectomy (MIPD) is fraught with the risk of complication‐related deaths (LEOPARD‐2), a significant volume‐outcome relationship and a long learning curve. With rates of conversion for MIPD approaching 40%, the impact of these on overall patient outcomes, especially, when unplanned, are yet to be fully elucidated. This study aimed to compare peri‐operative outcomes of (unplanned) converted MIPD against both successfully completed MIPD and upfront open PD.

Methods

A systematic review of major reference databases was undertaken. The primary outcome of interest was 30‐day mortality. Newcastle–Ottawa scale was used to judge the quality of the studies. Meta‐analysis was performed using pooled estimates, derived using random effects model.

Results

Six studies involving 20,267 patients were included in the review. Pooled analysis demonstrated (unplanned) converted MIPD were associated with an increased 30‐day (RR 2.83, CI 1.62‐ 4.93, p = 0.0002, I2 = 0%) and 90‐day (RR 1.81, CI 1.16‐ 2.82, p = 0.009, I2 = 28%) mortality and overall morbidity (RR 1.41, CI 1.09; 1.82, p = 0.0087, I2 = 82%) compared to successfully completed MIPD. Patients undergoing (unplanned) converted MIPD experienced significantly higher 30‐day mortality (RR 3.97, CI 2.07; 7.65, p < 0.0001,I2 = 0%), pancreatic fistula (RR 1.65, CI 1.22‐ 2.23, p = 0.001, I2 = 0%) and re‐exploration rates (RR 1.96, CI 1.17‐ 3.28,p = 0.01, I2 = 37%) compared upfront open PD.

Conclusions

Patient outcomes are significantly compromised following unplanned intraoperative conversions of MIPD when compared to successfully completed MIPD and upfront open PD. These findings stress the need for objective evidence‐based guidelines for patient selection for MIPD.
Diverging trends and drivers of Arctic flower production in Greenland over space and time
Authors: Becker-Scarpitta Antoine , Antão Laura H. , Schmidt Niels Martin , Blanchet F. Guillaume , Kaarlejärvi Elina , Raundrup Katrine , Roslin Tomas
Published: July 2023

The Arctic is warming at an alarming rate. While changes in plant community composition and phenology have been extensively reported, the effects of climate change on reproduction remain poorly understood. We quantified multidecadal changes in flower density for nine tundra plant species at a low- and a high-Arctic site in Greenland. We found substantial changes in flower density over time, but the temporal trends and drivers of flower density differed both between species and sites. Total flower density increased over time at the low-Arctic site, whereas the high-Arctic site showed no directional change. Within and between sites, the direction and rate of change differed among species, with varying effects of summer temperature, the temperature of the previous autumn and the timing of snowmelt. Finally, all species showed a strong trade-off in flower densities between successive years, suggesting an effective cost of reproduction. Overall, our results reveal region- and taxon-specific variation in the sensitivity and responses of co-occurring species to shared climatic drivers, and a clear cost of reproductive investment among Arctic plants. The ultimate effects of further changes in climate may thus be decoupled between species and across space, with critical knock-on effects on plant species dynamics, food web structure and overall ecosystem functioning.
Abdominal fat quantification using convolutional networks
Authors: Schneider Daniel , Eggebrecht Tobias , Linder Anna , Linder Nicolas , Schaudinn Alexander , Blüher Matthias , Denecke Timm , Busse Harald
Published: July 2023

Objectives

To present software for automated adipose tissue quantification of abdominal magnetic resonance imaging (MRI) data using fully convolutional networks (FCN) and to evaluate its overall performance—accuracy, reliability, processing effort, and time—in comparison with an interactive reference method.

Materials and methods

Single-center data of patients with obesity were analyzed retrospectively with institutional review board approval. Ground truth for subcutaneous (SAT) and visceral adipose tissue (VAT) segmentation was provided by semiautomated region-of-interest (ROI) histogram thresholding of 331 full abdominal image series. Automated analyses were implemented using UNet-based FCN architectures and data augmentation techniques. Cross-validation was performed on hold-out data using standard similarity and error measures.

Results

The FCN models reached Dice coefficients of up to 0.954 for SAT and 0.889 for VAT segmentation during cross-validation. Volumetric SAT (VAT) assessment resulted in a Pearson correlation coefficient of 0.999 (0.997), relative bias of 0.7% (0.8%), and standard deviation of 1.2% (3.1%). Intraclass correlation (coefficient of variation) within the same cohort was 0.999 (1.4%) for SAT and 0.996 (3.1%) for VAT.

Conclusion

The presented methods for automated adipose-tissue quantification showed substantial improvements over common semiautomated approaches (no reader dependence, less effort) and thus provide a promising option for adipose tissue quantification.

Clinical relevance statement

Deep learning techniques will likely enable image-based body composition analyses on a routine basis. The presented fully convolutional network models are well suited for full abdominopelvic adipose tissue quantification in patients with obesity.

Key Points

• This work compared the performance of different deep-learning approaches for adipose tissue quantification in patients with obesity.

• Supervised deep learning–based methods using fully convolutional networks  were suited best.

• Measures of accuracy were equal to or better than the operator-driven approach.
Focused view CT angiography for selective visualization of stroke related arteries: technical feasibility
Authors: Roest Christian , Kloet Reina W. , Lamers Maria J. , Yakar Derya , Kwee Thomas C.
Published: July 2023

Objectives

This study investigated the technical feasibility of focused view CTA for the selective visualization of stroke related arteries.

Methods

A total of 141 CTA examinations for acute ischemic stroke evaluation were divided into a set of 100 cases to train a deep learning algorithm (dubbed “focused view CTA”) that selectively extracts brain (including intracranial arteries) and extracranial arteries, and a test set of 41 cases. The visibility of anatomic structures at focused view and unmodified CTA was assessed using the following scoring system: 5 = completely visible, diagnostically sufficient; 4 = nearly completely visible, diagnostically sufficient; 3 = incompletely visible, barely diagnostically sufficient; 2 = hardly visible, diagnostically insufficient; 1 = not visible, diagnostically insufficient.

Results

At focused view CTA, median scores for the aortic arch, subclavian arteries, common carotid arteries, C1, C6, and C7 segments of the internal carotid arteries, V4 segment of the vertebral arteries, basilar artery, cerebellum including cerebellar arteries, cerebrum including cerebral arteries, and dural venous sinuses, were all 4. Median scores for the C2 to C5 segments of the internal carotid arteries, and V1 to V3 segments of the vertebral arteries ranged between 3 and 2. At unmodified CTA, median score for all above-mentioned anatomic structures was 5, which was significantly higher (p < 0.0001) than that at focused view CTA.

Conclusion

Focused view CTA shows promise for the selective visualization of stroke-related arteries. Further improvements should focus on more accurately visualizing the smaller and tortuous internal carotid and vertebral artery segments close to bone.

Clinical relevance

Focused view CTA may speed up image interpretation time for LVO detection and may potentially be used as a tool to study the clinical relevance of incidental findings in future prospective long-term follow-up studies.

Key Points

• A deep learning–based algorithm (“focused view CTA”) was developed to selectively visualize relevant structures for acute ischemic stroke evaluation at CTA.

• The elimination of unrequested anatomic background information was complete in all cases.

• Focused view CTA may be used to study the clinical relevance of incidental findings.
Asymptotic Behavior of the Dirichlet Energy on Poisson Point Clouds
Authors: Braides Andrea , Caroccia Marco
Published: July 2023

We prove that quadratic pair interactions for functions defined on planar Poisson clouds and taking into account pairs of sites of distance up to a certain (large-enough) threshold can be almost surely approximated by the multiple of the Dirichlet energy by a deterministic constant. This is achieved by scaling the Poisson cloud and the corresponding energies and computing a compact discrete-to-continuum limit. In order to avoid the effect of exceptional regions of the Poisson cloud, with an accumulation of sites or with ‘disconnected’ sites, a suitable ‘coarse-grained’ notion of convergence of functions defined on scaled Poisson clouds must be given.
Butterfly blues and greens caused by subtractive colour mixing of carotenoids and bile pigments
Authors: Stavenga Doekele G.
Published: July 2023

Butterflies often have conspicuously patterned wings, due to pigmentary and/or structurally wing scales that cover the wing membrane. The wing membrane of several butterfly species is also pigmentary coloured, notably by the bile pigments pterobilin, pharcobilin and sarpedobilin. The absorption spectra of the bilins have bands in the ultraviolet and red wavelength range, resulting in blue-cyan colours. Here, a survey of papilionoid and nymphalid butterflies reveals that several species with wings containing bile pigments combine them with carotenoids and other short-wavelength absorbing pigments, e.g., papiliochrome II, ommochromes and flavonoids, which creates green-coloured patterns. Various uncharacterized, long-wavelength absorbing wing pigments were encountered, particularly in heliconiines. The wings thus exhibit quite variable reflectance spectra, extending the enormous pigmentary and structural colouration richness of butterflies.
Cerebral lesions sites in neurosarcoidosis: a lesion mapping study
Authors: Fröhlich Kilian , Mrochen Anne , Wang Ruihao , Haupenthal David , Macha Kosmas , Siedler Gabriela , Knott Michael , Dörfler Arnd , Schwab Stefan , Winder Klemens
Published: July 2023

Background and purpose

Sarcoidosis is a granulomatous disease of unknown etiology affecting the central nervous system in up to 15% of the patients. Diagnosis of neurosarcoidosis is very challenging due to the heterogeneity of its clinical manifestation. This study intended to evaluate the distribution of cerebral lesion sites and the potential presence of specific lesion clusters in neurosarcoidosis patients using voxel-based lesion symptom mapping (VLSM).

Methods

Patients with neurosarcoidosis were retrospectively identified and included between 2011 and 2022. Cerebral lesion sites were correlated voxel-wise with presence and absence of neurosarcoidosis using non-parametric permutation test. Multiple sclerosis patients served as controls for the VLSM-analysis.

Results

Thirty-four patients (mean age 52 ± 15 years) of whom 13 were diagnosed with possible, 19 with probable and 2 with confirmed neurosarcoidosis were identified. Lesion overlap of neurosarcoidosis patients demonstrated a distribution of white matter lesions in all brain areas, with a periventricular predilection similar to multiple sclerosis. In contrast to multiple sclerosis controls, no propensity for lesions in proximity of the corpus callosum was observed. Neurosarcoidosis lesions appeared smaller and lesion volume was lower in the neurosarcoidosis cohort. The VLSM analysis showed minor associations between neurosarcoidosis and damaged voxels in the bilateral frontobasal cortex.

Conclusions

The VLSM analysis yielded significant associations in the bilateral frontal cortex, suggesting that leptomeningeal inflammatory disease with following cortical involvement is a quite specific feature in neurosarcoidosis. Lesion load was lower in neurosarcoidosis than in multiple sclerosis. However, no specific pattern of subcortical white matter lesions in neurosarcoidosis was revealed.
Clinical analysis of sixty-nine children with anomalous aortic origin of the coronary artery
Authors: Zhen Zhen , Dong Ziyan , Na Jia , Chen Xi , Li Qirui , Gao Lu , Yuan Yue
Published: July 2023

We aimed to analyse the clinical characteristics of children with different types of anomalous aortic origin of the coronary artery (AAOCA) at different ages, and to discuss the factors related to myocardial ischaemia. In this retrospective study, we included 69 children diagnosed with AAOCA using CT coronary angiography; we classified the participants based on the type of AAOCA, age, and high-risk anatomy. The clinical characteristics of the different AAOCA types and age groups were compared, and the correlation between manifestations and high-risk anatomy was analysed. Anomalous origin of the left coronary artery from the right coronary artery sinus, anomalous origin of the right coronary artery from the left coronary artery sinus, and a coronary artery origin without coronary sinuses was found in 10 (14.5%), 57 (82.6%), 2 (2.9%) patients, respectively. There were no significant differences in sex, clinical manifestations, percentage of positive myocardial injury markers, electrocardiogram, transthoracic echocardiography, or proportion of high-risk anatomy among the groups with different AAOCA types. According to age group, the proportion of asymptomatic infants and pre-schoolers was the highest (p < 0.001). Forty-three patients (62.3%) had high-risk anatomy and were more likely to present with severe symptoms and cardiac syncope (p < 0.05).

  Conclusion: There were no significant differences in the proportions of high-risk anatomy and clinical characteristics among children with different AAOCA types. We found a relation between the severity of AAOCA clinical symptoms and anatomical risk.

What is Known:• Clinical symptoms in children with AAOCA are varied and the results of routine cardiological examinations lack specificity.• High-risk anatomical features, exercise, cardiac symptoms, and ALCA are risk factors for the occurrence of SCD in patients with AAOCA.

What is New:• Compared the clinical characteristics of different types of AAOCA and ages.• Analysed the correlation between symptoms and high-risk anatomical features.
Interactions among mycorrhizal fungi enhance the early development of a Mediterranean orchid
Authors: Calevo Jacopo , Duffy Karl J.
Published: July 2023

Orchids depend on mycorrhizal fungi to germinate from seed. While multiple orchid mycorrhizal (OrM) taxa are often found associated with adult orchids, the relative contribution of particular OrM taxa to germination and early orchid development is poorly understood. We isolated 28 OrM fungi associated with the Mediterranean orchid Anacamptis papilionacea and tested the efficiency of five isolates on germination and early development, four belonging to the Tulasnella calospora species complex and one belonging to Ceratobasidium. Co-cultures of varying two-way and three-way combinations of OrM isolates were used in vitro to compare the simultaneous effect on seed germination rate with monocultures. We then tested whether, when given initial priority over other fungi, particular OrM taxa were more effective during the early stages of development. Seedlings germinated with different isolates were transferred to a growth chamber, and either the same or different isolate was added 45 days later. After 3 months, the number of roots, length of the longest root, and tuber area were measured. All OrM fungi resulted in seed germination; however, lower germination rates were associated with the Ceratobasidium isolate compared to the tulasnelloid isolates. There was significant decreased germination in co-culture experiments when the Ceratobasidium isolate was added. Despite being associated with reduced germination rates, the addition of the Ceratobasidium isolate to the seedlings germinated with tulasnelloid strains resulted in significant increased tuber size. Although A. papilionacea associates with many OrM taxa, these results show that OrM fungi may play different roles during orchid germination and early development. Even when given initial priority, other fungi may colonize developing orchids and interact to influence early orchid development.
Study of the response characteristics of an online electrochemical mass spectrometry system for gas analysis of lithium-ion cells using chronoamperometry
Authors: Scharf Janik , Matysik Frank-Michael
Published: July 2023

Online electrochemical mass spectrometry (OEMS) is a promising analytical technique to monitor minor side reactions with gaseous species, taking place while charging and discharging a lithium-ion cell. However, besides the manifold examples of these custom-made systems and their application, a clear analytical view on the origin of the evolving gasses and their manifold interactions within the cell environment is missing and therefore given in this work. To get a better understanding of the complexity of gas evolution associated with electrochemical reactions in lithium-ion cells, the use of chronoamperometry as an analytical method was chosen. This led to a precise variation of the applied voltage and voltage-pulse length and enabled therewith a clear starting point of the electrochemically triggered reactions. It was found that chronoamperometry can be used to precisely trigger those reactions with gaseous products. Additionally, it was found that the release of gaseous species depends on many parameters including the cell configuration, the current, and the gas species. The response time determination showed that a custom-made highly porous electrode configuration had an overall better response behavior within minutes with differences for the respective gasses of interest, compared to a standard foil configuration cells. The herein presented methodology shows how an electroanalytical approach can help gain further insight into advanced hyphenated methods, such as OEMS in the context of studies of lithium-ion cells.

Graphical abstract
Chemophobia and practical chemistry: the laboratory as a place of origin or, on the contrary, suppression of the fear of chemistry?
Authors: Chalupa Radek , Nesměrák Karel
Published: July 2023

From the perspective of the general public, there are a number of ways to describe the doing of science, e.g. experiments, scientific inquiry and laboratory work. In the case of chemistry, however, these activities are united by a single site of performance, the chemical laboratory. Indeed, as early as 1761, Macquer states: “whoever would become a chemist, must indispensably have a laboratory.” However, another necessary prerequisite for the successful practice of chemistry is a proper theoretical and practical education. While the theory remains with chemists for the time being, experimental teaching is now in jeopardy. However, limiting laboratory instruction due to perceived excessive cost would ultimately damage chemists’ identity and weaken their defences against chemophobia. Hands-on teaching normally associated with the verification of chemical theory in practice, accompanied by an intense dialogue between teacher and student, will not be able to act as a corrective to hostile attitudes towards chemistry. Moreover, its absence may reinforce chemophobia. As a result, the chemistry community may be confronted with a far more dangerous, potentiated chemophobia. The latter would be all the more dangerous because it would operate from within, as a lack of awareness of one’s own merit, contribution and self-worth.

Graphical abstract
The propulsive effect generated by fast travelling-wave vibrations
Authors: Floryan J. M. , Haq N. N. , Bassom Andrew P.
Published: July 2023

A prototype problem for the propulsion arising from a spatially-dependent source is analysed asymptotically. Such driving is a phenomenon that, while fairly common in biological settings, is less well understood in mechanical and engineering contexts. If two parallel plates bound a fluid and the plates are free to translate relative to each other, recent calculations have shown that vibrations applied to one plate in the form of travelling waves may induce motion of the other. The degree of the propulsion obtained is a function of both the wavelength and the phase speed of the imposed vibrations and there seems to an optimal wavelength for which propulsion is greatest. In order to shed light on these observations, here we undertake a formal asymptotic analysis of the process in the circumstance when the vibrations move quickly. It is shown how the flow structure takes on a form consisting of a bulk core layer supplemented by suitable edge layers attached to the two plates. The efficiency of the mechanism relies on the generation of a mean flow component whose properties are considered. It is found that there is excellent agreement between our analytical predictions and the previous simulations; in particular we are able to find the critical wavelength for maximum propulsion and explain the modifications that arise in the short and long wavelength limits.
Microsocial analysis of dyadic interactions with toddlers and mothers with borderline personality disorder
Authors: Schneider Isabella , Fuchs Anna , Herpertz Sabine C. , Lobo Frances M.
Published: July 2023

Borderline personality disorder (BPD) is known for disruptions in mother-child interaction, but possible underlying patterns of micro-behavior are barely understood. This is the first study examining behavioral dyadic synchrony—the coordinated and reciprocal adaptation of behavior—and regulation on a micro-level and relating it to macro-behavior in mothers with BPD and their toddlers. Twenty-five mothers with BPD and 29 healthy mothers participated with their 18- to 36-month-old toddlers in a frustration-inducing paradigm. Mother and toddler behavior was continuously micro-coded for gaze, affect, and vocalization. Synchrony, operationalized as the simultaneous engagement in social gaze and positive affect, and (co-)regulative behaviors and their contingencies were analyzed and associated with borderline symptom severity, the overall quality of interaction, and child internalizing and externalizing behavioral problems. Dyads with mothers with BPD showed significantly less synchrony compared to dyads with healthy mothers. Low synchrony was associated with high BPD symptom severity and low overall interaction quality. Dyads with BPD used the same amount of regulative behaviors as dyads with healthy mothers. Though both groups equally responded to children’s negative emotionality, mothers with BPD were less effective in drawing the dyad back into synchrony. For dyads with BPD, regulative behaviors were negatively associated with child externalizing behaviors. BPD symptomology may reduce the effectiveness of mothers’ attempts to attune to their child’s needs. An emphasis on synchrony and regulative behaviors may be an important therapeutic target for parenting programs in mothers with BPD.
Ortho-para interconversion of nuclear states of H2O through replica transition state: prospect of quantum entanglement at homodromic Bjerrum defect site
Authors: Sitha Sanyasi
Published: July 2023

Context

From a nuclear spin prospective, water exists as para and ortho nuclear spin isomers (isotopomers). Spin interconversions in isolated molecules of water are forbidden, but many recent reports have shown them to happen in bulk, through dynamic proton exchanges happening between interconnected networks of a large array of water molecules. In this contribution, a possible explanation for an unexpected slow or delayed interconversion of ortho-para water in ice observed in an earlier reported experiment is provided. Using the results of quantum mechanical investigations, we have discussed the roles played by Bjerrum defects in the dynamic proton exchanges and ortho-para spin state interconversions. We guess that at the sites of the Bjerrum defects, there are possibilities of quantum entanglements of states, through pairwise interactions. Based on the perfectly correlated exchange happening via a replica transition state, we speculate that it can have significant influences on ortho-para interconversions of water. We also conjecture that the overall ortho-para interconversion is not a continuous process, rather can be imagined to be happening serendipitously, but within the boundary of the rules of quantum mechanics.

Methods

All computations were performed with Gaussian 09 program. B3LYP/6-31++G(d,p) methodology was used to compute all the stationary points. Further energy corrections were computed using CCSD(T)/aug-cc-pVTZ methodology. Intrinsic reaction coordinate (IRC) path computations were carried out for the transition states.
Interfaces in reinforced epoxy resins: from molecular scale understanding towards mechanical properties
Authors: Konrad Julian , Zahn Dirk
Published: July 2023

Context

We report on atomic level of detail analyses of polymer composite models featuring epoxy resin interfaces to silica, iron oxide, and cellulose layers. Using “reactive” molecular dynamics simulations to explore epoxy network formation, resin hardening is investigated in an unprejudiced manner. This allows the detailed characterization of salt-bridges and hydrogen bonds at the interfaces. Moreover, our sandwich-type composite systems are subjected to tensile testing along the interface normal. To elucidate the role of relaxation processes, we contrast (i) direct dissociation of the epoxy-metal oxide/cellulose contact layer, (ii) constant strain-rate molecular dynamics studies featuring (visco-)elastic deformation and bond rupture of the epoxy resin, and (iii) extrapolated relaxation dynamics mimicking quasi-static conditions. While the fracture mechanism is clearly identified as interface dissociation of the composite constituents, we still find damaging of the nearby polymer phase. The observed plastic deformation and local cavitation are rationalized from the comparably large stress required for the dissociation of salt-bridges, hydrogen bonds, and van der Waals contacts. Indeed, the delamination of the contact layers of epoxy resins with slabs of silica, magnetite, and cellulose call for a maximum stress of 33, 26, and 21 MPa, respectively, as compared to 84 MPa required for bulk epoxy yielding.

Methods

Molecular dynamics simulations using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code were augmented by a Monte Carlo–type procedure to probe epoxy bond formation (Macromolecules 53(22): 9698–9705). The underlying interaction models are split into conventional Generalized Amber Force Fields (GAFF) for non-reacting moieties and a recently developed reactive molecular mechanics potential enabling epoxy bond formation and cleavage (ACS Polymers Au 1(3): 165–174).
Sex differences in trigeminal neuralgia: a focus on radiological and clinical characteristics
Authors: De Stefano Gianfranco , Litewczuk Daniel , Mollica Cristina , Di Pietro Giuseppe , Galosi Eleonora , Leone Caterina , Falco Pietro , Tullo Maria Giulia , Caramia Francesca , Truini Andrea , Di Stefano Giulia
Published: July 2023

Background

It is well established that trigeminal neuralgia is more prevalent in females than in males. Neurovascular compression with morphological changes of the trigeminal root represents the most recognized etiological factor. However, other factors may play a role in the framework of a multi-hit model. The primary aim of this study was to investigate sex differences in radiological and clinical characteristics of trigeminal neuralgia to better understand the multifactorial origin of this peculiar neuropathic pain condition.

Methods

In this cross-sectional study patients with a definite diagnosis of primary trigeminal neuralgia were consecutively enrolled. Each patient underwent 3T MRI with sequences dedicated to the study of neurovascular compression. Major morphological changes of the trigeminal root were quantitatively assessed. Clinical characteristics were systematically collected through a dedicated questionnaire. A logistic regression model was implemented to predict radiological and clinical characteristics based on sex.

Results

A total of 114 patients with classical (87) or idiopathic trigeminal neuralgia (27) were enrolled. Female sex was predictive for idiopathic trigeminal neuralgia. Male sex was predictive, among the comorbidities and clinical characteristics, for hypertension, the involvement of the left side and the second trigeminal division, alone or with the ophthalmic division.

Discussion

The preponderance of TN in the female sex and the association between idiopathic TN and the female sex suggest the role of additional etiological factors in the framework of a multi-hit model. The identification of clinical variables predicted by sex suggests the possibility that distinct phenotypes, with peculiar pathophysiological and therapeutic aspects, may occur in females and males.
Proof of the Theory-to-Practice Gap in Deep Learning via Sampling Complexity bounds for Neural Network Approximation Spaces
Authors: Grohs Philipp , Voigtlaender Felix
Published: July 2023

We study the computational complexity of (deterministic or randomized) algorithms based on point samples for approximating or integrating functions that can be well approximated by neural networks. Such algorithms (most prominently stochastic gradient descent and its variants) are used extensively in the field of deep learning. One of the most important problems in this field concerns the question of whether it is possible to realize theoretically provable neural network approximation rates by such algorithms. We answer this question in the negative by proving hardness results for the problems of approximation and integration on a novel class of neural network approximation spaces. In particular, our results confirm a conjectured and empirically observed theory-to-practice gap in deep learning. We complement our hardness results by showing that error bounds of a comparable order of convergence are (at least theoretically) achievable.
Module braces: relations between the additive and the multiplicative groups
Authors: Del Corso Ilaria
Published: July 2023

In this paper, we define a class of braces that we call module braces or R-braces, which are braces for which the additive group has also a module structure over a ring R, and for which the values of the gamma functions are automorphisms of R-modules. This class of braces has already been considered in the literature in the case where the ring R is a field; we generalise the definition to any ring R, reinterpreting it in terms of the so-called gamma function associated with the brace, and prove that this class of braces enjoys all the natural properties one can require. We exhibit explicit example of R-braces, and we study the splitting of a module braces in relation to the splitting of the ring R, generalising thereby Byott’s result on the splitting of a brace with nilpotent multiplicative group as a sum of its Sylow subgroups. The core of the paper is in the last two sections, in which, using methods from commutative algebra and number theory, we study the relations between the additive and the multiplicative groups of an R-brace showing that if a certain decomposition of the additive group is small (in some sense which depends on R), then the additive and the multiplicative groups have the same number of elements of each order. In some cases, this result considerably broadens the range of applications of the results already known on this issue.
Behaviour and fitness impacts of irradiation-induced sterility in an egg parasitoid and potential implications for their use for insect eradication
Authors: Horrocks Kiran Jonathan , Avila Gonzalo Andres , Holwell Gregory Ian , Suckling David Maxwell
Published: July 2023

As the increasing globalisation of trade generates an escalating spread of arthropod pests, eradication has gained traction as a viable approach to avoiding the growing long-term management costs. The Sterile Insect Technique (SIT) involves releasing sexually sterile insects into the wild population and has been employed for environmentally friendly eradication. Alternatively, classical biological control (CBC) comprises the importation and release of natural enemies. Although generally used for long-term management, evidence suggests a synergistic impact could be exerted on pest populations when combined with SIT, potentially improving eradication outcomes. It is possible that sterile parasitoids, which would not bear the risk of irreversible non-target impacts associated with conventional CBC releases, could be accepted by regulatory agencies as a safe option to be used as a synergistic component of eradication. We investigated the post-irradiation behaviour and fitness of the egg parasitoid Trissolcus basalis to determine whether irradiation-induced sterility may reduce its efficacy. In comparing sterile and non-sterile parasitoids, there were no observable differences in searching behaviour, no significant differences in the number of egg masses found and parasitised, nor longevity. It is possible that sterile parasitoid release could contribute to an eradication programme without detrimental effects.
Lab-scale method for plant-mediated delivery of dsRNAs to phloem-feeding leafhoppers
Authors: Rossi Marika , Ottati Sara , Bucci Luca , Fusco Alessia , Abbà Simona , Bosco Domenico , Marzachì Cristina , Galetto Luciana
Published: July 2023

RNA interference (RNAi) regulates gene expression in eukaryotes, and it is an emerging tool in crop protection by exogenous applications of double-stranded RNAs (dsRNAs) to silence the expression of essential pest genes. Nevertheless, delivery of dsRNAs to sap-sucking insects is a major challenge for RNAi applications. The present work aimed at verifying whether in leafhopper species, RNAi can be triggered by plant-mediated delivery, and providing a proof of concept towards field applications. Two phytoplasma vectors species, Euscelidius variegatus and Scaphoideus titanus (Hemiptera: Cicadellidae), were used as case study. Gene silencing can be achieved efficiently in both species through microinjection of dsRNAs, despite the technique being time consuming and inapplicable on large scale. This protocol was set as gold standard for the development of a higher throughput approach. Soaking of nymphs in a solution with co-adjuvant and dsRNAs as well as insect feeding on whole plants or detached leaves immersed in a dsRNA solution were assayed as alternative delivery strategies. Nymph soaking did not induce specific gene silencing, while plant absorption proved to be suitable to deliver both a coloured solution and control dsRNAs targeting green fluorescent protein gene. Insect feeding on detached leaves immersed in dsRNA solution was selected to test silencing of two gut-specific (legumain and natterin) and one ubiquitous (ATP synthase β) genes. The expression of the three genes significantly decreased in E. variegatus insects fed on dsRNA-treated plants. Similarly, a significant reduction of ATP synthase β transcript was measured in S. titanus fed on dsRNA-treated plants.
Resident-reported measurements of neighborhood characteristics: a scoping review
Authors: Farrell Anna L. , Banks Ashley R. , Skinner Daniel , Kelleher Kelly J.
Published: July 2023

Purpose

Because of the growing emphasis on place-based interventions to improve health, we sought to identify commonly measured, resident-reported neighborhood characteristics for use in evaluation studies.

Methods

A review was conducted of resident-reported neighborhood indicators in 27 published PubMed articles and eight non-academic gray literature sources. Neighborhood domains and items were evaluated across the literature to identify patterns in resident reporting on neighborhoods.

Results

A diverse range of survey items across reviewed literature comprised the following broad domains: physical conditions, social conditions, community resources, social agency, and neighborhood dynamics. Academic and gray literature varied in their assessments’ focus and the populations considered, with gray literature exploring a wider array of persons, such as those with disability, and positive aspects of neighborhoods. In general, there was a lack of a cohesive framework for measuring neighborhood well-being and no clear agreement on appropriate language and key definitions. Measures relevant to the elderly were largely absent from the US literature.

Conclusions

Most published articles on neighborhood measurement were derived from the criminology and sociology literature on the origins of violence and poverty. Their measures reflected this negative orientation. Gray literature included a broader perspective on neighborhoods and consideration of alternative populations such as the elderly and people with disability. This review’s identification of common metrics in neighborhood domains paves the way for building consolidated and standardized neighborhood measurement tools that will also fill current gaps in the literature, such as those concerning elderly residents or those with disabilities.
Teaching computational thinking with a tangible development platform: An exploratory field study at school with Kniwwelino
Authors: Schwartz Lou , Maquil Valérie , Johannsen Laurence , Moll Christian , Hermen Johannes
Published: July 2023

Computational Thinking (CT) is an emerging topic in school curricula. Different tools exist to support the learning of CT, namely visual programming languages and tangible development platforms (TDP), which are widely used in extra-curricular activities. To date, few tools have been developed that consider both teachers’ needs and the school context. We designed the Kniwwelino Classroom Kit (KCK) in order to support the teaching of CT in classrooms. This paper presents the results of a pilot study, in which the KCK was used in three primary and three secondary schools in Luxembourg. The KCK is based on Kniwwelino, a creative environment designed for children from 8 years old to learn about programming and electronics. The study explored the suitability of the KCK for teaching CT in primary and secondary schools, focusing on three research questions: (1) how the KCK supports teachers’ pedagogical practices, (2) how the KCK fulfils the pedagogical objectives set by teachers, and (3) the user experience of the KCK (for teachers and pupils). To assess how the KCK meets the three above-mentioned objectives, we used a mixed method approach, combining semi-guided interviews, logbooks, and several questionnaires. We learned that the KCK is versatile enough to adapt to different environments, objectives, and pedagogical approaches, which responds to the first two research questions, and thus offers a great deal of freedom to teachers. The fun and tangible approach of the KCK introduces programming and enables pupils to develop both CT and soft skills such as communication and collaboration. Teachers’ feedback on their user experience was positive, particularly concerning stimulation, novelty, and attractiveness. KCK was evaluated as interesting, valuable, and good, but it was noted that some improvements needed to be made to make it easier, more predictable, and faster. The pupils also rated their user experience positively, with values that were generally on a par with previous studies reported in the state of the art regarding the use of Scratch and BBC Micro:bit in school-based experiments for learning CT. Drawing from these learnings, we list several recommendations for the development of other similar TDP tools to support the teaching of CT in a classroom setting. These recommendations concern the material, programming interface, connection, educational material, and the creation of a community.
Ultra-Wideband Multi-Octave Planar Interconnect for Multi-Band THz Communications
Authors: Iwamatsu Shuya , Ali Muhsin , Fernández-Estévez José Luis , Tebart Jonas , Kumar Ashish , Makhlouf Sumer , Carpintero Guillermo , Stöhr Andreas
Published: July 2023

An ultra-wideband (UWB) interconnect technology using indium phosphide (InP)-based transitions for coupling the output signals from terahertz (THz) photodiodes featuring coplanar waveguide (CPW) outputs to low-loss dielectric rod waveguides (DRWs) is presented. The motivation is to exploit the full bandwidth offered by THz photodiodes without limitations due to standard rectangular waveguide interfaces, e.g., for future high data rate THz communications. Full electromagnetic wave simulations are carried out to optimize the electrical performance of the proposed InP transitions in terms of operational bandwidth and coupling efficiency. The transitions are fabricated on 100-µm-thin InP and integrated with silicon (Si) DRWs. Experimental frequency domain characterizations demonstrate efficient THz signal coupling with a maximum coupling efficiency better than − 2 dB. The measured 3-dB and 6-dB operational bandwidths of 185 GHz and 280 GHz, respectively, prove the multi-octave ultra-wideband features of the developed interconnect technology. The 6-dB operational bandwidth covers all waveguide bands between WR-12 to WR-3, i.e., a frequency range between 60 and 340 GHz. In addition, the multi-octave performances of the fabricated interconnects were successfully exploited in proof-of-concept THz communication experiments. Using intermediate frequency orthogonal frequency division multiplexing (OFDM), THz communications are demonstrated for several frequency bands using the same interconnect. Considering soft-decision forward error correction, error-free transmission with data rates of 24 Gbps at 80 GHz and 8 Gbps at 310 GHz is achieved.