bluuebunny/crossref_metadata_2025_split huggingface dataset:
Butterfly blues and greens caused by subtractive colour mixing of carotenoids and bile pigments
Authors: Stavenga Doekele G. 
Published: July 2023

AbstractButterflies 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

Abstract
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

AbstractWe 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

AbstractOrchids 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

AbstractOnline 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

AbstractFrom 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

AbstractA 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

AbstractBorderline 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

Abstract
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

Abstract
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

Abstract
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

AbstractWe 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

AbstractIn 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.