bluuebunny/crossref_metadata_2025_split huggingface dataset:
Halide tuning in derivative organic–inorganic perovskites, MAPb(Br1-xClx)3 (x = 0–1): exploring structural, optical and vibrational characteristics
Authors: Dutt Shankar , Trivedi Ayushi , Rambadey Omkar V. , Sagdeo Pankaj R. , Sagdeo Archna 
Published: August 2024

AbstractOrganic–inorganic metal halide perovskites (OIMHP’s), particularly CH3NH3PbX3 (X = I, Br, Cl) and their derivatives shows favorable properties for energy harvesting such as high absorption coefficients, adjustable band gaps, and low charge recombination rate. The structure and hence nature of bonding between different atoms of these perovskites is known to affect their properties significantly. Tuning of band gap can be achieved in these systems with the help of compositional variation. These systems are studied extensively in the single halide compositions (MAPbI3, MAPbBr3 and MAPbCl3); while, their derivatives seem to have gained less attention though being important for various applications. So, in this work, halide tuning is achieved in derivative perovskite, MAPb(Br1-xClx)3 (x = 0 to 1) and further studied for structural and optical properties along with vibrational properties using X-ray diffraction (XRD), diffuse reflectance spectroscopy, and Raman spectroscopy techniques, respectively. A decrease in the lattice parameter is observed as the Chlorine content increases in the MAPb(Br1-xClx)3 (x = 0 to 1) perovskite. The substitution of Chlorine with Bromine also results in significant increase in the band gap value. In contrast to previous reports, it was clearly observed that the Urbach energy strongly depends on the composition. For the first time, appearance of two features for torsional mode of methylammonium (MA) is discussed even at room temperature, indicative of disorder. It is observed that although the band gap tuning is achieved with the help of halide mixing (Br and Cl), it is also found to introduce disorder in the intermediate compositions; while, the stability increases toward Chlorine compositions. Interestingly, the information of disorder is found to be contained in both the global as well as local measurements which opens up new pathways for studying these materials. This study will lay down a pathway for better understanding of key properties of these hybrid mix halide perovskites which are promising material for futuristic energy applications.
Telling Ecopoetic Stories: Wax Worms, Care, and the Cultivation of Other Sensibilities
Authors: Grünfeld Martin 
Published: August 2024

AbstractRecently, a beekeeper discovered the metabolic wizardry of wax worms, their ability to decompose polyethylene. While this organism has usually been perceived as a model organism in science or a pest to beekeepers, it acquired a new mode of being as potentially probiotic, inviting us to dream of a future without plastic waste. In this paper, I explore how wax worms are entangled with material practices of care and narratives that give meaning to these practices. These stories, however, are marked by manipulation, exploitation, and extermination, and call for a questioning of our modes of caring. Consequently, I offer a counter-narrative that questions our anthropocentric practices of caring and the stories we attach to them. Borrowing Puig de la Bellacasa’s notion of ecopoetics, I tell another story based on my participation in the making of an art installation hosting wax worms. The installation creates an opening of a world of curiosity and cultivates a sensibility for wax worms expanding their modes of being and our capabilities of appreciation. In the end, I argue that by mattering and storying differently, we have the opportunity to challenge anthropocentric interests and make a different world of caring and co-existence possible.
Structure Development in Cross-Linked, Soybean Oil-based Waterborne Polyurethanes
Authors: Petrović Zoran S. , Djonlagić Jasna , Hong Jian , Vuković Milica Lovrić , Ilavsky Jan , Bush Brian G. , Zhang Fan 
Published: August 2024

AbstractDevelopment of waterborne polyurethanes (WPU) using bio-based sources represents a step towards sustainable materials science and industry. We synthesized bio-based cationic water-dispersed crosslinked polyurethanes from high oleic soybean oil (HOSO) polyol, isophorone diisocyanate, and methyldiethanol amine, with varying ionic group contents after neutralization with acetic acid. Our primary objective was to analyze how crosslinking affects the dispersion process and film properties in multifunctional systems. The synthesis-structure-property relationship is elucidated through comprehensive analyses of the products at different stages of the synthesis. The dispersion of the WPU particles in water must occur prior to gelation during the final preparation, leading to incomplete conversion and the formation of imperfect networks. Insight into the synthesis process and polymer structure was gained by simulating polymer network parameters. Morphological analyses using synchrotron-based X-ray scattering and atomic force microscopy revealed a hierarchical structure within the WPU films. Importantly, all the films prepared in this study, without using coalescence agents, have low water absorption and high water contact angles, demonstrating their potential for textile and leather coatings and other applications.
Graphical Abstract
Identification of mycobacterial Thymidylate kinase inhibitors: a comprehensive pharmacophore, machine learning, molecular docking, and molecular dynamics simulation studies
Authors: Chikhale Rupesh V. , Pawar Surbhi Pravin , Kolpe Mahima Sudhir , Shinde Omkar Dilip , Dahlous Kholood A. , Mohammad Saikh , Patil Pritee Chunarkar , Bhowmick Shovonlal 
Published: August 2024

AbstractThymidylate kinase (TMK) is a pivotal enzyme in Mycobacterium tuberculosis (Mtb), crucial for phosphorylating thymidine monophosphate (dTMP) to thymidine diphosphate (dTDP), thereby playing a critical role in DNA biosynthesis. Dysregulation or inhibition of TMK activity disrupts DNA replication and cell division, making it an attractive target for anti-tuberculosis drug development. In this study, the statistically validated pharmacophore mode was developed from a set of known TMK inhibitors. Further, the robust pharmacophore was considered for screening the Enamine database. The chemical space was reduced through multiple molecular docking approaches, pharmacokinetics, and absolute binding energy estimation. Two different molecular docking algorithms favor the strong binding affinity of the proposed molecules towards TMK. Machine learning-based absolute binding energy also showed the potentiality of the proposed molecules. The binding interactions analysis exposed the strong binding affinity between the proposed molecules and active site amino residues of TMK. Several statistical parameters from all atoms MD simulation explained the stability between proposed molecules and TMK in the dynamic states. The MM-GBSA approach also found a strong binding affinity for each proposed molecule. Therefore, the proposed molecules might be crucial TMK inhibitors for managing Mtb inhibition subjected to in vitro/in vivo validations.
Analysis of PANoptosis-related ceRNA network reveals lncRNA MIR17HG involved in osteogenic differentiation inhibition impaired by tumor necrosis factor-α
Authors: Li Jia-Xuan , Qu Yu-Dun , Xia Chang-Liang , Zhang Wei , Wang Song-Song , Ou Shuan-Ji , Yang Yang , Qi Yong , Xu Chang-Peng 
Published: August 2024

Abstract

Background
Inflammatory cytokines such as Interleukin 1β(IL1β), IL6,Tumor Necrosis Factor-α (TNF-α) can inhibit osteoblast differentiation and induce osteoblast apoptosis. PANoptosis, a newly identified type of programmed cell death (PCD), may be influenced by long noncoding RNA (lncRNAs) which play important roles in regulating inflammation. However, the potential role of lncRNAs in inflammation and PANoptosis during osteogenic differentiation remains unclear. This study aimed to investigate the regulatory functions of lncRNAs in inflammation and apoptosis during osteogenic differentiation.

Methods and results
High-throughput sequencing was used to identify differentially expressed genes involved in osteoblast differentiation under inflammatory conditions. Two lncRNAs associated with inflammation and PANoptosis during osteogenic differentiation were identified from sequencing data and Gene Expression Omnibus (GEO) databases. Their functionalities were analyzed using diverse bioinformatics methodologies, resulting in the construction of the lncRNA-miRNA-mRNA network. Among these, lncRNA (MIR17HG) showed a high correlation with PANoptosis. Bibliometric methods were employed to collect literature data on PANoptosis, and its components were inferred. PCR and Western Blotting experiments confirmed that lncRNA MIR17HG is related to PANoptosis in osteoblasts during inflammation.

Conclusions
Our data suggest that TNF-α-induced inhibition of osteogenic differentiation and PANoptosis in MC3T3-E1 osteoblasts is associated with MIR17HG. These findings highlight the critical role of MIR17HG in the interplay between inflammation, PANoptosis, and osteogenic differentiation, suggesting potential therapeutic targets for conditions involving impaired bone formation and inflammatory responses.
Data-driven linearization of dynamical systems
Authors: Haller George , Kaszás Bálint 
Published: August 2024

AbstractDynamic mode decomposition (DMD) and its variants, such as extended DMD (EDMD), are broadly used to fit simple linear models to dynamical systems known from observable data. As DMD methods work well in several situations but perform poorly in others, a clarification of the assumptions under which DMD is applicable is desirable. Upon closer inspection, existing interpretations of DMD methods based on the Koopman operator are not quite satisfactory: they justify DMD under assumptions that hold only with probability zero for generic observables. Here, we give a justification for DMD as a local, leading-order reduced model for the dominant system dynamics under conditions that hold with probability one for generic observables and non-degenerate observational data. We achieve this for autonomous and for periodically forced systems of finite or infinite dimensions by constructing linearizing transformations for their dominant dynamics within attracting slow spectral submanifolds (SSMs). Our arguments also lead to a new algorithm, data-driven linearization (DDL), which is a higher-order, systematic linearization of the observable dynamics within slow SSMs. We show by examples how DDL outperforms DMD and EDMD on numerical and experimental data.
Bifurcations in planar, quadratic mass-action networks with few reactions and low molecularity
Authors: Banaji Murad , Boros Balázs , Hofbauer Josef 
Published: August 2024

AbstractIn this paper we study bifurcations in mass-action networks with two chemical species and reactant complexes of molecularity no more than two. We refer to these as planar, quadratic networks as they give rise to (at most) quadratic differential equations on the nonnegative quadrant of the plane. Our aim is to study bifurcations in networks in this class with the fewest possible reactions, and the lowest possible product molecularity. We fully characterise generic bifurcations of positive equilibria in such networks with up to four reactions, and product molecularity no higher than three. In these networks we find fold, Andronov–Hopf, Bogdanov–Takens and Bautin bifurcations, and prove the non-occurrence of any other generic bifurcations of positive equilibria. In addition, we present a number of results which go beyond planar, quadratic networks. For example, we show that mass-action networks without conservation laws admit no bifurcations of codimension greater than $$m-2$$

m
-
2

, where m is the number of reactions; we fully characterise quadratic, rank-one mass-action networks admitting fold bifurcations; and we write down some necessary conditions for Andronov–Hopf and cusp bifurcations in mass-action networks. Finally, we draw connections with a number of previous results in the literature on nontrivial dynamics, bifurcations, and inheritance in mass-action networks.
Large basins of attraction for control-based continuation of unstable periodic states
Authors: Kruse Niklas , Wallner Hannes , Dittus Anna , Böttcher Lukas , Barke Ingo , Speller Sylvia , Starke Jens , Just Wolfram 
Published: August 2024

AbstractNumerical continuation tools are nowadays standard to analyse nonlinear dynamical systems by numerical means. These powerful methods are unfortunately not available in real experiments without having access to an accurate mathematical model. Implementing such a concept in real world experiments using control and data processing to track unstable states and their bifurcations, requires robust control techniques with large basins and good global properties. Here we propose design principles for control techniques for periodic states which lead to large basins and which are robust, without the need to have access to a detailed mathematical model. Our analytic considerations for the control design will be based on weakly nonlinear analysis of periodically driven oscillator systems. We then demonstrate by numerical means that in strong nonlinear regimes successful control with large basins of attraction can be achieved when only plain time series data are available.
Russian grammar as a constructicon: beyond a list
Authors: Zhukova Valentina , Janda Laura A. 
Published: August 2024

AbstractWhile linguistics traditionally keeps lexicon separate from grammar, Construction Grammar takes the grammatical construction as the basic unit of language. A grammatical construction integrates the roles of lexemes with their typical grammatical contexts, suggesting the advantages of a comprehensive approach. Furthermore, according to Construction Grammar, grammatical constructions comprise a system in which constructions mutually reinforce each other. We reveal the complex connections among Russian grammatical constructions that emerge from the Russian Constructicon, a resource with over 2200 annotated constructions. We achieve this by focusing on a single semantic subclass of 110 constructions labeled Sets and elements. Our analysis follows the connections among constructions through two domains: semantics and syntax. We find that all constructions fit into groupings at various levels of semantic schematicity, as well as presenting various syntactic dimensions. A given construction has affinities both to constructions with similar meanings and with similar form, and any given construction may have multiple affinities in either or both of these domains. Through our focus on multiword grammatical constructions, we reach beyond traditional approaches that separate words from grammar, instead viewing words in their grammatical context and grammar in its lexical context.
Potassium-competitive Acid Blockers: Current Clinical Use and Future Developments
Authors: Scarpignato Carmelo , Hunt Richard H. 
Published: August 2024

Abstract
Purpose of the Review
Acid suppression with proton pump inhibitors (PPIs) represents the standard of care in the treatment of acid-related diseases. However, despite their effectiveness, PPIs display some intrinsic limitations, which underlie the unmet clinical needs that have been identified over the past decades. The aims of this review are to summarize the current status and future development of the new class of antisecretory drugs (potassium-competitive acid blockers, P-CABs) that have recently been introduced into medical practice.

Recent Findings
Over the past decades, clinical needs unmet by the current acid suppressants have been recognized, especially in the management of patients with GERD, Helicobacter pylori infection and NSAID-related peptic ulcer. The failure to address these needs is mainly due to their inability to achieve a consistent acid suppression in all patients and, particularly, to control nighttime acidity. It was then realized that an extended duration of acid suppression would exert additional benefits. The available data with P-CABs show that they are able to address these unmet clinical needs.

Summary
Four different P-CABs (vonoprazan, tegoprazan, fexuprazan and keverprazan) are currently available. However, only two of them are approved outside Asia. Vonoprazan is available in North, Central and South America while tegoprazan is marketed only in Latin American countries. Two other compounds (namely linazapran glurate and zestaprazan) are presently under clinical development. While clinical trials on GERD have been performed with all P-CABs, only vonoprazan and tegoprazan have been investigated as components of Helicobacter pylori eradication regimens. The available data show that—in the above two clinical indications—P-CABs provide similar or better efficacy in comparison with PPIs. Their safety in the short-term overlaps that of PPIs, but data from long-term treatment are needed.
The influence of cancer on the reprogramming of lipid metabolism in healthy thyroid tissues of patients with papillary thyroid carcinoma
Authors: Zwara Agata , Hellmann Andrzej , Czapiewska Monika , Korczynska Justyna , Sztendel Alicja , Mika Adriana 
Published: August 2024

Abstract

Background and objectives
Over the years we observed changes in the metabolism of glucose, amino acids, fatty acids (FA) and nucleotides in cancer cells in order to maintain their viability and proliferate. Moreover, as the latest data show, cancer also forces a complete change in the behavior of other tissues. For instance, fat-filled adipocytes are often found in the vicinity of invasive solid human tumors. We investigated the effects of papillary thyroid carcinoma (PTC) on the lipid metabolism of healthy tissue distant from the tumor.

Method
Thyroid tissue was collected from female patients immediately after surgical removal of the entire thyroid gland. Blood samples were collected from PTC patients and healthy volunteers. Real-time PCR assays were performed to analyze the expression of lipogenic genes and a broad panel of FA was determined using the gas chromatography-mass spectrometry method.

Results
The concentration of lipids was higher in paratumor tissue than in healthy thyroid tissue (p = 0.005). The lipogenic genes tested were significantly increased in paratumor tissue compared to healthy tissue, especially enzymes related to the synthesis of very long-chain saturated and polyunsaturated FAs (VLCSFAs and PUFAs, respectively) (p < 0.001). The FA profile also showed increased levels of C22-C26, VLCSFAs and almost all PUFAs in paratumor tissue (p < 0.05).

Conclusion
Our study suggests that a restructuring of lipid metabolism occurs in the adjacent healthy thyroid gland and that the metabolism of VLCSFAs and PUFAs is higher in the paratumor tissue than in the distant tissue of the healthy thyroid gland.
Der Rechtsanspruch auf einen Freiwilligendienst
Authors: Fischer Jörn 
Published: August 2024

Zusammenfassung60 Jahre Freiwilliges Soziales Jahr (FSJ) heißt auch: 60 Jahre Projektförderung – also eine Förderung, die sich vor allem durch eine zeitliche Begrenzung auszeichnet. Was das bedeutet, wurde im Herbst 2023 deutlich: Der Entwurf des Bundeshaushalts für das Jahr 2024 sah eine Kürzung der Mittel für das FSJ, das FÖJ, den Internationalen Jugendfreiwilligendienst und den Bundesfreiwilligendienst um 113 Mio. € in den folgenden zwei Jahren vor. Das entsprach einer Kürzung von etwa einem Drittel des Etats für diese Freiwilligendienste. Viele Träger befürchteten daraufhin einen Kahlschlag und rechneten vor, dass 25.000 bis 30.000 der rund 100.000 Freiwilligendienststellen in Gefahr seien. Nicht zuletzt mit Hilfe einer groß angelegten Kampagne „Kürzt uns nicht weg“ und einer Petition an den Bundestag gelang es, die Kürzung für das Haushaltsjahr 2024 in letzter Minute abzuwenden. Der Vorgang machte aber auf schmerzliche Art deutlich, dass eine Finanzierung von Freiwilligendiensten, über die jedes Jahr im Rahmen von Haushaltsverhandlungen erneut politisch entschieden wird, auf tönernen Füßen steht. Was hat das mit Rechtsanspruch zu tun? Mit einem Rechtsanspruch wäre das nicht passiert, denn: Der Bund finanziert weite Teile der oben genannten Freiwilligendienste. Gäbe es ein Gesetz, das regelt, dass jede Vereinbarung über einen Freiwilligendienst, die zwischen einem Freiwilligendienstträger und einem jungen Menschen getroffen wird, auch finanziell gefördert würde, wäre die Finanzierung von Freiwilligendiensten den jährlichen Haushaltsverhandlungen entzogen und damit langfristig gesetzlich abgesichert. Die konkrete Ausgestaltung des Rechtsanspruchs kann dabei so aussehen, dass die Jugendlichen einen Anspruch auf einen Platz in einem Freiwilligendienst haben und die Träger der Dienste einen Anspruch auf die Finanzierung eben dieses Dienstes.
Characterization of corrosion mechanism and traditional soldering treatment of a composite bronze lamp from the Greco-Roman period of Egypt
Authors: Abdelbar Mohamed , Ahmed Saleh 
Published: August 2024

AbstractThis paper presents a study of treatment by soldering for a unique bronze oil lamp combined with Eros and dog figurines. In this object, there are two types of soldering; the first is ancient, used to join the three pieces together, and the other is used in conservation treatments to stop the degradation of the object. Soft solders have been a modern method of repair, with its historical use as the original joining technique demonstrating its general durability and effectiveness. Optical microscopy, portable X-ray fluorescence, and micro-Raman spectroscopy were used to identify the soldering treatment, the chemical composition of the alloy, and the corrosion products. Investigation techniques showed the use of a modern tin-lead alloy as soft soldering in past interventions to treat cracks and fill losses. Cracks propagated due to soil pressures and ongoing corrosion processes, as well as the combined action of tensile forces and the surface-active molten solder. The ancient solder used to attach the dog and Eros to the lamp was a hard solder. The three pieces were made of high-leaded tin bronze, with Pb contents ranging from 10.5 to 13 wt%. The chloride and sulfate corrosion products detected by µ-RS were more aggressive in the object structure. The corrosion products of the soft solder consisted mostly of lead and tin oxides, basic carbonates, and sulfates.
Landslide Mitigation of Urbanized Slopes for Sustainable Growth: A Summary of Recent Developments in Structural and Non-structural Countermeasures to Manage Water-Triggered Landslides
Authors: Thakur Vikas , Depina Ivan , Degago Samson Abate , Alene Gebray Habtu , Oguz Emir Ahmet , Singh Mahendra , Chandel Anoopsingh 
Published: August 2024

AbstractThis paper summarizes recent developments made in terms of structural and non-structural solutions to manage the safety of urbanized slopes. The paper gives an overview of the pioneering effort to integrate the climate modeling chain into landslide susceptibility assessment using TRIGRS, application of virtual reality to improve the landslide risk awareness, the advancement of upstream flexible barrier system and debris flow screens to reduce the entrainment and impact on terminal barriers, and finally, internal seepage-induced progressive failure of reservoir rim slopes. These advancements are done using numerical modeling, simulations of real cases and physical modeling using small- and large-scale models.