bluuebunny/crossref_metadata_2025 huggingface dataset:
Phosphorylation of cytochrome c at tyrosine 48 finely regulates its binding to the histone chaperone SET/TAF‐Iβ in the nucleus
Authors: Tamargo‐Azpilicueta Joaquin , Casado‐Combreras Miguel Á. , Giner‐Arroyo Rafael L. , Velázquez‐Campoy Adrián , Márquez Inmaculada , Olloqui‐Sariego José L. , De la Rosa Miguel A. , Diaz‐Moreno Irene
Published: November 2024

Post‐translational modifications (PTMs) of proteins are ubiquitous processes present in all life kingdoms, involved in the regulation of protein stability, subcellular location and activity. In this context, cytochrome c (Cc) is an excellent case study to analyze the structural and functional changes induced by PTMS as Cc is a small, moonlighting protein playing different roles in different cell compartments at different cell‐cycle stages. Cc is actually a key component of the mitochondrial electron transport chain (ETC) under homeostatic conditions but is translocated to the cytoplasm and even the nucleus under apoptotic conditions and/or DNA damage. Phosphorylation does specifically alter the Cc redox activity in the mitochondria and the Cc non‐redox interaction with apoptosis‐related targets in the cytoplasm. However, little is known on how phosphorylation alters the interaction of Cc with histone chaperones in the nucleus. Here, we report the effect of Cc Tyr48 phosphorylation by examining the protein interaction with SET/TAF‐Iβ in the nuclear compartment using a combination of molecular dynamics simulations, biophysical and structural approaches such as isothermal titration calorimetry (ITC) and nuclear magnetic resonance (NMR) and in cell proximity ligation assays. From these experiments, we infer that Tyr48 phosphorylation allows a fine‐tuning of the Cc‐mediated inhibition of SET/TAF‐Iβ histone chaperone activity in vitro. Our findings likewise reveal that phosphorylation impacts the nuclear, stress‐responsive functions of Cc, and provide an experimental framework to explore novel aspects of Cc post‐translational regulation in the nucleus.
The transmission of mutation effects in a multiprotein machine: A comprehensive metadynamics study of the cardiac thin filament
Authors: Ghanta Krishna Prasad , Castillo Romi L. , Tardiff Jil C. , Schwartz Steven D.
Published: November 2024

The binding of Ca2+ ions within the troponin core of the cardiac thin filament (CTF) regulates normal contraction and relaxation. Mutations within the troponin complexes are known to alter normal functions and result in the eventual development of cardiomyopathy. However, despite the importance of the problem, detailed microscopic knowledge of the mechanism of pathogenic effect of point mutations and their effects on the conformational free energy surface of CTF remains elusive. Mutations are known to transmit their effects hundreds of angstroms along this protein complex and between different component proteins. To explore the impact of point mutations on the conformational free energy barrier between the closed and blocked state of CTF, and to understand the transmission of mutation, we have carried out metadynamics simulations for the wild‐type (WT) and two mutants (cardiac troponin T Arg92Trp (R92W) and Arg92Leu (R92L)). Specifically, we have investigated the conformational modification of the tropomyosin (Tm) and the troponin (Tn) complex during the closed‐to‐blocked state transition for both the WT and two hypertrophic cardiomyopathy causing mutations. Our calculations demonstrated that mutations within the cardiac troponin T (cTnT) protein alter conformational properties of the Tm and the other proteins of the Tn complex as well as the Ca2+ binding affinity of the cTnC protein through the indirect mediation of cardiac troponin I (cTnI). Importantly, the data revealed a significant influence of the mutations on the conformational transition free energy barriers for both the Tm and cTnC proteins. Furthermore, we found both mutations independently alter the free energy barrier of transitions of cTnT. Such alteration in the free energy upon mutation of one protein in a complex, allosterically affects the others through structural and dynamical changes, leading to a pathogenic effect on the function of the thin filament.
Self‐contacting Cys, Ser, and Thr residues in high‐resolution protein crystal structures: Tertiary constraints or hydrogen bonds?
Authors: Singh Prathvi , Ramanathan Venkatnarayanan , Sankararamakrishnan Ramasubbu
Published: November 2024

Functional groups in the side‐chains of at least 10 amino acids are mainly involved in tertiary interactions. However, structural and functional significance of intra‐residue interactions has not been fully recognized. In this study, we have analyzed ~5800 non‐redundant high‐resolution protein structures and identified 1166 self‐contacts between the side‐chain S‐H/O‐H and backbone C=O groups in Cys, Ser, and Thr residues that satisfied the geometric criteria to form hydrogen bonds. Quantum chemical calculations using model compounds were used to evaluate single point energy for 45 representative examples from different allowed regions of Ramachandran map. Relative energy profiles obtained by varying the side‐chain dihedral angle χ1 revealed that the energy difference between the crystal structure and the minimum energy conformations is between 0 and 3 kcal/mol. Natural bond orbital analysis (NBO) of self‐contacting Cys residues revealed no charge transfer between Cys side‐chain S‐H and the backbone C=O groups. However, side‐chain hydroxyl and the backbone C=O groups of 90%–95% of all self‐contacting Ser and Thr residues are involved in charge transfer and the second order perturbation energy of majority of them is above 1 kcal/mol. Interaction energies calculated for model compounds along with NBO and NCIPLOT analyses demonstrate that the self‐contacts observed in Ser and Thr residues can be described as hydrogen bonds. These interactions may provide stability to the loop/coil conformations. Self‐contacting Cys residues are buried and the self‐contacts appear to be mostly due to tertiary constraints. Dispersion between the self‐contacting groups is one way to explain the close approach in Cys residues. Mutation studies will further validate and reveal the structural and functional significance of these self‐contacting residues.
Identifying the minimal sets of distance restraints for FRET‐assisted protein structural modeling
Authors: Liu Zhuoyi , Grigas Alex T. , Sumner Jacob , Knab Edward , Davis Caitlin M. , O'Hern Corey S.
Published: November 2024

Proteins naturally occur in crowded cellular environments and interact with other proteins, nucleic acids, and organelles. Since most previous experimental protein structure determination techniques require that proteins occur in idealized, non‐physiological environments, the effects of realistic cellular environments on protein structure are largely unexplored. Recently, Förster resonance energy transfer (FRET) has been shown to be an effective experimental method for investigating protein structure in vivo. Inter‐residue distances measured in vivo can be incorporated as restraints in molecular dynamics (MD) simulations to model protein structural dynamics in vivo. Since most FRET studies only obtain inter‐residue separations for a small number of amino acid pairs, it is important to determine the minimum number of restraints in the MD simulations that are required to achieve a given root‐mean‐square deviation (RMSD) from the experimental structural ensemble. Further, what is the optimal method for selecting these inter‐residue restraints? Here, we implement several methods for selecting the most important FRET pairs and determine the number of pairs that are needed to induce conformational changes in proteins between two experimentally determined structures. We find that enforcing only a small fraction of restraints, , where is the number of amino acids, can induce the conformational changes. These results establish the efficacy of FRET‐assisted MD simulations for atomic scale structural modeling of proteins in vivo.
Characterization of DsrD and its interaction with the DsrAB dissimilatory sulfite reductase
Authors: Barbosa Ana C. C. , Venceslau Sofia S. , Ferreira Delfim , Neukirchen Sinje , Sousa Filipa L. , Melo Manuel N. , Pereira Inês A. C.
Published: November 2024

Microbial dissimilatory sulfate reduction is a key process in the global sulfur and carbon cycles in anoxic ecosystems. In this anaerobic respiration, sulfate is phosphorylated and reduced to sulfite, which is further reduced to a DsrC‐trisulfide by the dissimilatory sulfite reductase DsrAB. DsrD is a small protein that acts as an allosteric activator of DsrAB, increasing the efficiency of sulfite reduction. Here, we report a detailed study of DsrD and its interaction with DsrAB. Sequence similarity analyses show that there are three groups of DsrD in organisms with a reductive‐type DsrAB. The protein regions involved in the DsrD–DsrAB interaction and activity‐promoting effect were investigated through in vitro and in silico studies, including mutations of conserved DsrD residues. The results reveal that the conserved β‐loop of DsrD is involved in the interaction, contributing to a better understanding of its mechanism of action.
Unraveling the Structural Basis of Biased Agonism in the β2‐Adrenergic Receptor Through Molecular Dynamics Simulations
Authors: Plazinski Wojciech , Archala Aneta , Jozwiak Krzysztof , Plazinska Anita
Published: November 2024

Biased agonism in G protein‐coupled receptors is a phenomenon resulting in the selective activation of distinct intracellular signaling pathways by different agonists, which may exhibit bias toward either Gs, Gi, or arrestin‐mediated pathways. This study investigates the structural basis of ligand‐induced biased agonism within the context of the β2‐adrenergic receptor (β2‐AR). Atomistic molecular dynamics simulations were conducted for β2‐AR complexes with two stereoisomers of methoxynaphtyl fenoterol (MNFen), that is, compounds eliciting qualitatively different cellular responses. The simulations reveal distinct interaction patterns within the binding cavity, dependent on the stereoisomer. These changes propagate to the intracellular parts of the receptor, triggering various structural responses: the dynamic structure of the intracellular regions of the (R,R)‐MNFen complex more closely resembles the “Gs‐compatible” and “β‐arrestin‐compatible” conformation of β2‐AR, while both stereoisomers maintain structural responses equidistant from the inactive conformation. These findings are confirmed by independent coarse‐grained simulations. In the context of deciphered molecular mechanisms, Trp313 plays a pivotal role, altering its orientation upon interactions with (R,R)‐MNFen, along with the Lys305‐Asp192 ionic bridge. This effect, accompanied by ligand interactions with residues on TM2, increases the strength of interactions within the extracellular region and the binding cavity, resulting in a slightly more open conformation and a minor (by ca. 0.2 nm) increase in the distance between the TM5–TM7, TM1–TM6, TM6–TM7, and TM1–TM5 pairs. On the other hand, an even slighter decrease in the distance between the TM1–TM4 and TM2–TM4 pairs is observed.
Active plasmonic nanodevices: From basic principles to emerging applications
Authors: Zhang Chi , Ding Tao
Published: November 2024

Tunable plasmonics has shown a wide range of applications in (bio)chemical sensing, displays, actuators, photonic chips, biomedicine, etc. in the last 2 decades. This review focuses on their recent development from the device perspective, which involves the understanding of fundamental principles and specific applications with desired functionality and compatibility. We classify these active plasmonic devices based on the nature of their structures and working environment as colloidal‐based, chip‐based, and colloidal chip‐based to further elaborate their performance and functions. We also highlight recent progress on tunable surface‐enhanced Raman spectroscopy, metasurfaces, and chiroptics to show the emerging applications of tunable plasmonic systems. We conclude this review with a general perception of the research trend in this field and challenges for their practical applications.
Enhancing environmental, social, and governance, performance and reporting through integration of life cycle sustainability assessment framework
Authors: Padilla‐Rivera Alejandro , Hannouf Marwa , Assefa Getachew , Gates Ian
Published: November 2024

We introduce an innovative framework integrating Life Cycle Sustainability Assessment (LCSA) impact categories with Environmental, Social, and Governance (ESG) factors, offering a unified approach for ESG assessment and reporting. It covers sustainable development's key aspects, enabling a detailed evaluation of environmental, economic, and social performance across product and system life cycles, in line with the Sustainable Development Goals (SDGs). Incorporating the UN's 10 principles, the framework fosters a synergy to improve ESG reporting, adaptable across industries. To demonstrate its practicality, a theoretical application in Canada's oil and gas sector highlights how this framework can provide actionable insights for SDG‐aligned performance improvements. This example illustrates how the framework can identify and address sustainability issues, thereby improving ESG performance. Beyond its theoretical contributions, the framework serves as a valuable tool for practitioners and investors, promoting informed and comprehensive ESG reporting. Ultimately, it aims to enhance organizations' contributions towards achieving the SDGs and advancing global sustainability.
Single‐Entity Electrochemistry of N‐Doped Graphene Oxide Nanostructures for Improved Kinetics of Vanadyl Oxidation
Authors: de Oliveira Maida Aysla Costa , Brunet Cabré Marc , Schröder Christian , Nolan Hugo , Pota Filippo , Behan James A. , Barrière Frédéric , McKelvey Kim , Colavita Paula E.
Published: November 2024

N‐doped graphene oxides (GO) are nanomaterials of interest as building blocks for 3D electrode architectures for vanadium redox flow battery applications. N‐ and O‐functionalities have been reported to increase charge transfer rates for vanadium redox couples. However, GO synthesis typically yields heterogeneous nanomaterials, making it challenging to understand whether the electrochemical activity of conventional GO electrodes results from a sub‐population of GO entities or sub‐domains. Herein, single‐entity voltammetry studies of vanadyl oxidation at N‐doped GO using scanning electrochemical cell microscopy (SECCM) are reported. The electrochemical response is mapped at sub‐domains within isolated flakes and found to display significant heterogeneity: small active sites are interspersed between relatively large inert sub‐domains. Correlative Raman‐SECCM analysis suggests that defect densities are not useful predictors of activity, while the specific chemical nature of defects might be a more important factor for understanding oxidation rates. Finite element simulations of the electrochemical response suggest that active sub‐domains/sites are smaller than the mean inter‐defect distance estimated from Raman spectra but can display very fast heterogeneous rate constants >1 cm s−1. These results indicate that N‐doped GO electrodes can deliver on intrinsic activity requirements set out for the viable performance of vanadium redox flow battery devices.
3D Printing Hierarchical Porous Nanofibrous Scaffold for Bone Regeneration
Authors: Hu Zhiai , Lin Hengyi , Wang Zhenming , Yi Yating , Zou Shujuan , Liu Hao , Han Xianglong , Rong Xin
Published: November 2024

Current limitations in 3D printing pose significant challenges for the fabrication of hierarchical 3D scaffolds with nanofibrous structures that simulate the natural bone extracellular matrix (ECM) for enhanced bone regeneration. This study presents an innovative approach to 3D printing customized hierarchical porous scaffolds with nanofiber structures using biodegradable nanofibrous microspheres as the bio‐ink. In vitro investigations demonstrate that the hierarchical porous architecture substantially enhances cell infiltration and proliferation rates, while the nanofiber topology provides physical cues to guide osteogenic differentiation and ECM deposition. When serving as a cell carrier, the 3D‐printed nanofibrous scaffold promotes bone tissue regeneration and integration in vivo. Additionally, the facile and versatile chemical modification facilitates the precise tailoring of the scaffold's functionality. Using nanofibrous microspheres with highly biomimetic and versatile modification properties as the foundational constituent in this universal 3D printing methodology enables comprehensive manipulation of scaffolding biological properties, spanning from macroscopic external morphology to molecular‐scale biochemical kinetics, thereby addressing a diverse spectrum of clinical requisites.
Polymerization Improvement of Graphitic Carbon Nitride Films Derived from Melamine and Thiourea
Authors: Oo May Thawda , Zhao Yanling , Baqi Sabah , Zhou Jiasheng , Phoo May Thawda , Zhang Rui‐Qin
Published: November 2024

Deposition of low‐cost, efficient, and environmentally friendly graphitic carbon nitride (g‐CN) films as photoanodes is a crucial step for constructing photoelectrochemical (PEC) cells and exploring their PEC performance. Currently, the improvement of the photocurrent density of g‐CN films is badly needed for their practical applications in PEC water splitting. Enhancing the g‐CN crystallinity by optimizing their synthesis conditions only through screening appropriate reactant precursors is insufficient for this purpose. Herein, using melamine and thiourea precursors with mass ratio 5:1, the degree of polymerization of g‐CN thin films is successfully improved by a thermal vapor condensation method. The obtained pure g‐CN exhibits a remarkably enhanced photocurrent density of 404.4 µA cm−2 at 1.23 V versus reversible hydrogen electrodes. Theoretical calculations reveal that the continuous attachment of small carbodiimide (HN═C═NH) mainly generated by thiourea to the melamine matrix facilitates the formation of large‐area conjugated structure, which fundamentally determines better charge carrier separation and transfer thereby enhancing the PEC performance. This work realizes the synthesis of well‐polymerized g‐CN films with improved PEC activity and offers a computational understanding for the nucleation and growth mechanism of the polycrystalline g‐CN.
Building Robust Manganese Hexacyanoferrate Cathode for Long‐Cycle‐Life Sodium‐Ion Batteries
Authors: Shang Yang , Ren Bo , Wu Ruixue , Lin Jie , Li Xiaoxia , Shen Jixue , Yan Dong , Yang Hui Ying
Published: November 2024

Manganese Hexacyanoferrate (Mn─HCF) is a preferred cathode material for sodium‐ion batteries used in large‐scale energy storage. However, the inherent vacancies and the presence of H2O within the imperfect crystal structure of Mn─HCF lead to material failure and interface failure when used as a cathode. Addressing the challenge of constructing a stable cathode is an urgent scientific problem that needs to be solved to enhance the performance and lifespan of these batteries. In this review, the crystal structure of Mn─HCF is first introduced, explaining the formation mechanism of vacancies and exploring the various ways in which H2O molecules can be present within the crystal structure. Then comprehensively summarize the mechanisms of material and interfacial failure in Mn─HCF, highlighting the key factors contributing to these issues. Additionally, eight modification strategies designed to address these failure mechanisms are encapsulated, including vacancy regulation, transition metal substitution, high entropy, the pillar effect, interstitial H2O removal, surface coating, surface vacancy repair, and cathode electrolyte interphase reinforcement. This comprehensive review of the current research advances on Mn─HCF aims to provide valuable guidance and direction for addressing the existing challenges in their application within SIBs.
Triphenylamine‐Based Y‐Shaped Self‐Assembled Monolayers for Efficient Tin Perovskite Solar Cells
Authors: Afraj Shakil N. , Kuan Chun‐Hsiao , Cheng Hsu‐Lung , Wang Yun‐Xin , Liu Cheng‐Liang , Shih Yun‐Sheng , Lin Jhih‐Min , Tsai Yi‐Wei , Chen Ming‐Chou , Diau Eric Wei‐Guang
Published: November 2024

Triphenylamine‐based Y‐shaped organic sensitizers, specifically TPA‐MN (1), TPA‐CA (2), TPAT‐MN (3), and TPAT‐CA (4), are synthesized and utilized as p‐type self‐assembled monolayers (SAMs) for tin‐based perovskite solar cells (TPSCs). These SAMs are developed using low‐cost starting materials, primarily from triphenylamine (TPA) components. An extensive analysis is conducted to examine the crystalline, morphological, thermal, optical, electrochemical, and optoelectronic characteristics of SAMs 1–4, and the results are compared. A two‐step method is employed to successfully develop tin perovskite layers on all four SAM surfaces. The resulting devices demonstrates PCE in the following order: TPAT‐CA (8.1%) > TPAT‐MN (6.1%) > TPA‐MN (5.0%) > TPA‐CA (4.2%). The TPAT‐CA molecule, which contains a thiophene spacer, performed better than the other three SAMs in terms of rapid hole extraction rate, high hole mobility, and retarded charge recombination. Consequently, SAM TPAT‐CA exhibited the highest device performance with excellent stability over time, retaining ≈90% from the beginning values after storage for 3000 h. The innovative Y‐shaped SAMs describe in this study, characterized by their simple and efficient design, have the potential to contribute significantly to the advancement of perovskite photovoltaics, particularly in the development of cost‐effective TPSC technology.
Is Shunt Quenching Relevant to Minimize Shunt Losses in Perovskite–Silicon Tandem Solar Cells?
Authors: Fell Andreas , Bivour Martin , Messmer Christoph , Hermle Martin
Published: November 2024

One challenge in thin‐film based solar cells, including perovskite‐silicon tandem cells, is the defect‐free deposition of the thin‐film layers. Such defects can result in high local parasitic current losses, that is, local shunt spots. Depending on the nature of the defects, their geometrical distribution can either be microscopic, for example, induced by texture morphology, or macroscopic, for example, induced by particles during processing. Instead of avoiding the defects themselves, so‐called shunt‐quenching methods have been proposed to mitigate the associated efficiency loss. This work investigates the following recently suggested methods: 1) a deliberate current mismatch; and 2) engineering the resistive properties of the intermediate layers between the subcells to electrically isolate the shunt. A comprehensive 3D device simulation study is presented to quantitatively analyze the (in)effectiveness of these methods. It is found that shunt‐quenching by a deliberate current mismatch can only play a minor role in the overall optimization of the current match point. Engineering the resistive properties of the intermediate layers must be generally considered ineffective. It only works for the rather specific case of strong and macroscopically distributed shunts with little cell‐to‐cell variation and only if some further requirements of the cell design are met.
Robust Dynamic State Estimation for Power System Based on Generalized Correntropy Loss Function and Unscented Kalman Filter
Authors: Chen Tengpeng , Luo Hongxuan , Sun Yuhao , Foo Eddy Y. S. , Zeng Tao , Amaratunga Gehan A. J.
Published: November 2024

Dynamic state estimation (DSE) of the power system is one of the most important means to ensure a safe and stable operation of the power system. However, the electromagnetic field environment, communication noise and equipment failure often lead to the appearance of non‐Gaussian noise and bad data, which ultimately cause performance degradation of traditional DSE algorithms based on the mean‐square error criterion. In this paper, a DSE method based on the generalized correntropy loss (GCL) function is proposed, which is well adapted to estimate the dynamic characteristics of the power system. The new robust DSE method can effectively deal with problems such as non‐Gaussian noise and bad data, thus improving the state estimation accuracy. Simulation results carried out on the IEEE 39‐bus system with synchronous generators demonstrate the robustness of the proposed DSE method. © 2024 Institute of Electrical Engineers of Japan. Published by Wiley Periodicals LLC.
Being Understood: Epistemic Injustice Towards Young People Seeking Support for Their Mental Health
Authors: Larkin Michael , McCabe Rose , Bortolotti Lisa , Broome Matthew , Craythorne Shioma-Lei , Temple Rachel , Lim Michele , Fadashe Catherine , Sims Chris , Sharples Oscar , Cottrell Josh ,   as part of the Agency in Practice team
Published: November 2024

Across many domains, it is important for us to feel that we are understood by others. This is crucial when we are disclosing a vulnerability or seeking help for a problem. When these disclosures or help-seeking requests relate to mental health difficulties, our interactions with others can carry many threats, including stigmatisation; inappropriate moral or character judgements; overly stringent threshold evaluations; and assumptions about our personal circumstances and social resources. In this chapter, we summarise some of the core findings from empirical and qualitative studies which examine what happens when young people meet with health professionals to disclose or to seek help for their experiences with poor mental health. We then draw out some key implications for improving relational and communicative practices amongst mental health professionals. We focus on those implications which are highlighted by those members of our team who are young adults with experiences of accessing mental health services and reflect on these implications in the light of insights from the literature on epistemic injustice.
Not All Psychiatric Diagnoses are Created Equal: Comparing Depression and Borderline Personality Disorders
Authors: Watts Jay
Published: November 2024

The validity of psychiatric diagnoses has been at the heart of enduring and divisive debates in mental health discourse for over fifty years, often reaching a stalemate. Whilst some consider a diagnosis essential for validation and support, others view it as an obstacle to personal meaning-making. This chapter proposes that considering epistemic injustice may offer a valuable approach to overcome this impasse. By examining four facets of epistemic injustice—objectification, moral agency, trivialization, and narrative agency—it juxtaposes patient perspectives on borderline personality disorder and depression, arguably the least and most popular diagnoses with patients in psychiatry. Leveraging these four facets, it delves into the experiences of two representative patients, Cara and John, showing how epistemic injustice operates differently across diagnoses. This analysis suggests the importance of epistemic injustice as a tool in critically evaluating the usefulness of specific psychiatric diagnoses, enriching traditional metrics of reliability and validity in nosology. Moreover, it encourages a shift in clinical training to embrace reflective practices and restructure power dynamics in clinical encounters, promoting greater epistemic participation.
Ameliorating Epistemic Injustice with Digital Health Technologies
Authors: Lalumera Elisabetta
Published: November 2024

This chapter discusses the potential of digital phenotyping to ameliorate epistemic injustice in mental health. Digital phenotyping, which analyses behavioural patterns from user data or smart devices, shows promise in improving mental health care. Whilst concerns exist that it may exacerbate epistemic injustice by overshadowing individual experiences, the chapter presents a different viewpoint. Through a fictional case study, digital phenotyping is portrayed as aiding individuals seeking help by offering more accurate evidence and supporting shared decision-making. The objection that digital technology overrides personal claims is countered by arguing against absolute epistemic priority for any diagnostic tool in medicine. The chapter acknowledges the need for technological advancements and ethical considerations but maintains a positive outlook on the future of digital phenotyping in mental healthcare.
The Discursive Tactics of the Menstrual Movement: Destigmatisation, Intersectionality and Collective Identity
Authors: Tomlinson Maria Kathryn
Published: November 2024

Drawing on interviews with 32 menstrual activists, this chapter analyses the discursive tactics that are used by the menstrual movement in Great Britain. It explores how this movement seeks to transform the mediation of menstruation as well as how menstrual activists advocate for social change via traditional and social media. The chapter explores various discursive strategies used by the 32 participants to alter the mediation of menstruation and, as a result, improve the lives of women and other people who menstruate. Tactics include using non-stigmatising language, speaking openly about menstruation, highlighting the intersectional nature of menstrual experience and promoting the inclusion of menstruating people of all genders and ethnicities. The chapter argues that, for menstrual activists, transforming the mediation of menstruation both on social media and in news media is a vital step towards destigmatising menstruation and reducing social inequalities in Great Britain. Furthermore, the chapter explores the influence of neoliberalism on menstrual activism as well as various points of disagreement and tension within the menstrual movement. This includes a lack of consensus about which discourses are the most effective for engendering social change.
Conclusion
Authors: Tomlinson Maria Kathryn
Published: November 2024

Combining interviews with activists and focus groups with teenagers, this conclusion establishes the impact of the media and mediated activism on young people’s knowledge and perceptions of menstruation as well as related health and social issues. It concludes that menstrual stigma has decreased, awareness around related health and social issues has increased, and girls as well as other young people who menstruate are feeling an increased sense of connection and solidarity with each other. Menstruation is shifting from a very private experience to one of collective concern. It is evident that social media, and, to some extent, news media, have played a key role in disseminating the discourses and aims of menstrual activists that have been instrumental to this change. Nevertheless, as this conclusion illustrates, some aims of the menstrual movement have been realised to a greater extent than others. Furthermore, drawing on my findings from across this book, the conclusion provides recommendations as to how activists, organisations, and institutions, can better support young people and on which areas they should focus their attention.
Einleitung
Authors: Großmann Tobias Santosh
Published: November 2024

Nach einer thematischen Einführung wird der aktuelle Stand der Forschung skizziert. Anschließend erfolgt die Einordnung und Differenzierung des Forschungsgegenstands. Der folgende Abschnitt zum Forschungsdesign beschreibt das methodische Vorgehen zur Beantwortung der Forschungsfrage und erläutert die Quellenlage in den Archiven. Zudem wird eine Kontextualisierung der befragten Zeitzeuginnnen vorgenommen, mit denen Leitfadeninterviews geführt wurden. Der Abschnitt schließt mit einer Selbstverortung des Autors.
Teil A: Kontextualisierung
Authors: Großmann Tobias Santosh
Published: November 2024

Die Kontextualisierung bietet eine historische Annäherung an die Ausgangssituation in Kerala und Südwestdeutschland der 1960er-Jahre, basierend auf Sekundärliteratur und Primärquellen. Durch die Betrachtung wirtschaftlicher, sozialer und politischer Aspekte, auch in geschlechtsspezifischem Kontext, wird die spätere Analyse in die historischen Transformationsprozesse eingeordnet. Besondere Beachtung finden die damaligen Migrationsbewegungen in Südwestdeutschland sowie neue Erkenntnisse zur Arbeitsmigration in den deutschen Pflegesektor. Zudem wird Pfarrer Hubert Debatin, der eine Schlüsselrolle in der Einleitung der Migration aus Kerala spielte, biografisch betrachtet.
Dynamic screening with liquidity constraints
Authors: Krähmer Daniel , Strausz Roland
Published: November 2024

We consider a dynamic screening model with serially independent types where the agent is short-term liquidity constrained. We model a liquidity constraint as a hard constraint that forces the agent to renege whenever he would suffer a loss from fulfilling the contract terms in a given period. In particular, the violation of a liquidity constraint is a verifiable event that future contract terms can condition on. This verifiability leads to less stringent truth-telling constraints than those considered in the existing literature. We show that the weaker constraints do not affect optimal contracting, however. Moreover, we develop a novel method to study private values settings with continuous types and show that a regularity condition that has analogues in the literature on multi-dimensional screening ensures that the optimal contract is deterministic.
Design of optimal concentrations for in vitro cytotoxicity experiments
Authors: Schürmeyer Leonie , Peng Chen , Albrecht Wiebke , Brecklinghaus Tim , Baur Pauline , Hengstler Jan G. , Schorning Kirsten
Published: November 2024

Concentration-dependent cytotoxicity experiments are frequently used in toxicology. Although it has been reported that an adequate choice of concentrations improves the quality of the statistical inference substantially, a recent literature review of three major toxicological journals has shown that the corresponding methods are rarely used in toxicological practice. In this study the performance of different sets of concentrations, also called designs, are analyzed, while the overall goal is to promote the advantages of optimal design procedures and to present a user-friendly guideline for planning new cytotoxicity concentration-response experiments. We compare the frequently used log-equidistant design to a Bayesian design, which is constructed by methods of optimum design theory. Using both a dense data set of concentration-cytotoxicity data of valproic acid (VPA) and regular assay data of 104 substances, the performance of the different designs is analyzed in two scenarios, where detailed previous knowledge on VPA is available or not. The results show that it is critical to apply a specific design strategy to determine optimal concentrations for cytotoxicity testing. In particular, the Bayesian design technique with and without incorporating pre-existing knowledge of a specific test substance resulted in a more precise statistical inference than the other used designs. Finally, we present a guideline for upcoming experiments and an accessible user-friendly Shiny app (see http://shiny.statistik.tu-dortmund.de:8080/app/occe).
Enhanced industrial wastewater monitoring: method development for non-target screening of highly polar substances using ZIC-HILIC-HRMS
Authors: Armin Reyhaneh , Wachendorf Jan , Weber Markus , Schmidt Torsten C.
Published: November 2024

Non-target screening (NTS) plays a major role in the monitoring and management of water bodies. While the NTS of moderate to non-polar substances is well-established, the screening of highly polar chemicals remains challenging. In this study, a robust separation method for highly polar substances using zwitterionic hydrophilic interaction liquid chromatography coupled with high-resolution mass spectrometry (ZIC-HILIC-HRMS) was developed. This method was specifically designed for the NTS of industrial wastewater, with the objective of capturing a wide range of polar contaminants in each acquisition run. Method validation included assessing key parameters such as repeatability, reproducibility, linearity, and limit of detection (LOD). For repeatability and reproducibility, the average %RSD of intensity and retention time across all substances in different matrices—solvent, influent, and effluent—remained below 6% and 1%, respectively (n = 10). The method demonstrated good linearity (R2 > 0.99) for 75% of the substances, while LODs varied between 0.1 and 40 µg/L depending on the compound tested. The method was then applied for NTS analysis of untreated wastewater at various locations within a chemical industrial park. Additionally, the overall influent and effluent of an industrial wastewater treatment plant (WWTP) were monitored over a 10-day period. Principal component analysis (PCA) was performed to interpret the data, identifying irregularities in the wastewater content. Moreover, the method demonstrated the WWTP’s ability to achieve an average removal efficiency of approximately 90% for this category of substances in this period, while also detecting their degradation products in the effluent. Finally, the method was successfully integrated into the daily monitoring routine of the WWTP, ensuring continuous surveillance and improved management of wastewater treatment processes.

Graphical abstract
Impact of the time interval between biopsy and radical prostatectomy on functional outcomes
Authors: Brown Rosannis , Beyer Burkhard , Knipper Sophie , Mehring Gisa , Budäus Lars , Tennstedt Pierre , Graefen Markus , Pose Randi M.
Published: November 2024

Purpose

The aim of our study was to investigate the impact of the time interval between prostate biopsy and radical prostatectomy (RP) on postoperative urinary continence (UC)/erectile function (EF). From a clinical point of view, an interval of several weeks seems to facilitate surgical preparation.

Materials and methods

We retrospectively analyzed patients who underwent RP for localized prostate cancer (PCa) in a tertiary care center between 2011 and 2020. We evaluated the influence of the following variables on UC and EF 1 year after RP: time from biopsy to RP, age, BMI, pathological T-stage, EF and intraoperative nerve sparing (unilateral vs. bilateral). For this purpose, we performed linear regression analyses as well as manual grouping and cluster analyses to identify possible temporal cutoff ranges. The EPIC-26 and the IIEF questionnaires were used for the assessment of UC and EF.

Results

We identified 6202 consecutive patients who underwent RP. Neither manual grouping nor cluster analyses showed a significant difference in continence or potency after RP. According to linear regression models, only age was an independent predictor of incontinence (95%-CI 0.006–0.01), and EF before RP (95%-CI 0.22–0.26), age (95%-CI – 0.68 to – 0.5), BMI (95%-CI – 0.66 to – 0.29) and bilateral NS (95%-CI 5.5–2.1) had significant impacts on postoperative EF (all p < 0.001).

Conclusion

In the selected patient population, the time interval between prostate biopsy and RP did not seem to have an effect on postoperative functional outcomes (UC and EF).
Re-do hypospadias surgery following failed previous repair: lessons learned over two decades of experience
Authors: Fihman May , Chertin Leon , Kocherov Stanislav , Jaber Jawdat , Chertin Boris , Dothan David
Published: November 2024

Purpose

To evaluate our experience with different surgical techniques and to find clinical factors that affect the outcome of treatment in cases of redo-hypospadias.

Methods

We have retrospectively evaluated demographic and clinical data of children who underwent redo or cripple-hypospadias repair.

Results

Between 2004 and 2021, 76 patients met the inclusion and exclusion criteria. The median age of the first cripple-hypospadias surgery was 64.8 ± 62.9 months. Upon primary surgery 5(6.6%) patients presented with distal-hypospadias, 13(17.1%) midshaft-hypospadias, 37(48.7%) proximal-hypospadias and 21(27.6%)with an unknown initial meatal status. To correct cripple-hypospadias 3(3.9%) patients underwent meatal-advancement and meatoplasty 32(42.1%) different tubularization techniques, 25(32.9%) required flap/graft, 13(17.1%) staged procedure and in 3(3.9%) surgical technique was undefined. Fifty-four (71%) children presented with post-surgery complications: 25(32.9%) meatal retraction, 19(25.3%) meatal stenosis and 17(22.3%) developed urethro-cutaneous fistula. Thirty-six (47.4%) patients underwent additional surgeries. There was no association between surgical technique or age and the need for additional surgeries (P = 0.831, P = 0.425 respectively). There was no association between surgical technique or age and surgical complications (P = 0.514, P = 0.425 respectively). All surgical techniques except meatal-advancement might lead to urethral stricture on long term follow-up (P = 0.028).

Conclusions

Our data show that treatment of cripple-hypospadias is challenging for both surgeon and patients alike. There is a need to tailor a surgical technique to each patient and there is no one technique which is appropriate for all patients.
Decomposition of Zero-Dimensional Persistence Modules via Rooted Subsets
Authors: Alonso Ángel Javier , Kerber Michael
Published: November 2024

We study the decomposition of zero-dimensional persistence modules, viewed as functors valued in the category of vector spaces factorizing through sets. Instead of working directly at the level of vector spaces, we take a step back and first study the decomposition problem at the level of sets. This approach allows us to define the combinatorial notion of rooted subsets. In the case of a filtered metric space M, rooted subsets relate the clustering behavior of the points of M with the decomposition of the associated persistence module. In particular, we can identify intervals in such a decomposition quickly. In addition, rooted subsets can be understood as a generalization of the elder rule, and are also related to the notion of constant conqueror of Cai, Kim, Mémoli and Wang. As an application, we give a lower bound on the number of intervals that we can expect in the decomposition of zero-dimensional persistence modules of a density-Rips filtration in Euclidean space: in the limit, and under very general circumstances, we can expect that at least 25% of the indecomposable summands are interval modules.
Haemolytic uremic syndrome as a cause of chronic kidney disease stage 5 in children is in retreat: results from the Polish Registry of Kidney Replacement Therapy in children (2000–2023)
Authors: Zagożdżon Ilona , Szczepańska Maria , Rubik Jacek , Zachwieja Katarzyna , Musielak Anna , Bratkowska Monika , Makulska Irena , Niwińska Katarzyna , Leszczyńska Beata , Bieniaś Beata , Taranta-Janusz Katarzyna , Adamczyk-Kipigroch Hanna , Żurowska Aleksandra
Published: November 2024

Background

Haemolytic uremic syndrome (HUS) is a life-threatening disease with a historically poor prognosis in children receiving maintenance kidney replacement therapy (KRT). This study aimed to analyse the incidence and outcome of chronic kidney disease stage 5 (CKD5) due to Escherichia coli-HUS (STEC-HUS) and complement-mediated HUS (CM-HUS) in children, compared with controls with non-HUS CKD5 over the last 24 years.

Methods

The study included 1488 children undergoing KRT in Poland between 2000 and 2023. Thirty-nine patients with CM-HUS and 18 with STEC-HUS were identified and analysed for incidence, KRT modality and survival.

Results

The incidence rate of CKD5 was 0.09 cases/million age-related population (marp) for STEC-HUS and 0.23/marp for CM-HUS, while no new cases have been observed in recent years. CKD5 due to CM-HUS developed significantly earlier from initial HUS manifestation than in STEC-HUS (median 0.2 vs. 9.8 years). CM-HUS was associated with younger age at initiation of KRT compared to STEC-HUS and non-HUS controls (median 6.0 years vs. 10.9 and 10.9 years), with higher risk of death (Hazard Ratio 1.92, 95% confidence interval 0.9–4.13) and worse 5-year kidney graft survival at 77%, 93% and 90%, respectively (p < 0.001).

Conclusions

In recent years, both CM-HUS and STEC-HUS have become increasingly rare causes of CKD5 in children. CKD5 due to CM-HUS in the eculizumab era and due to STEC-HUS after improving supportive treatment is exceptional. Children on KRT due to STEC-HUS had a significantly better survival, shorter waiting time for kidney transplantation and better kidney graft survival compared to the CM-HUS group.

Graphical Abstract
Causes of chronic pain unrelated to surgical trauma after groin hernia repair: a prospective cohort study
Authors: Kroon Lovisa , Ticehurst Kristina , Ahonen Jukka , Norrby Jonny , Ruiz-Jasbon Fernando
Published: November 2024

Background

Chronic inguinal pain (CIP) can be caused by musculoskeletal or neurological pathologies and by surgical trauma after inguinal hernia repair among other. The aim of this prospective cohort observational study was to find the incidence and causes of CIP unrelated to surgical trauma 12 months after inguinal hernia repair.

Methods

During sixteen months patients consulting a hernia center for groin-related symptoms were included in the study. Patients were evaluated by surgeons and filled out preoperatively the Inguinal Pain Questionnaires and a Numerical Rating Scale pain-questionnaire. For patients undergoing inguinal hernia repair, postoperative questionnaires similar to the pre-operative ones were sent out at 12 months. Patients scoring pain on pain questionnaires were evaluated by phone and physical examination.

Results

289 patients (78.1%) of 370 repaired patients filled in the postoperative questionnaires. 62 (21.4%) patients scored pain, of these patients 5 (1.7%, 5/289) answered incorrectly in the pain questionnaires and 14 (4.8%, 14/289) had non-surgical trauma causes of pain: 5 musculoskeletal, 4 neurological and 3 other medical pathologies.

Conclusions

This cohort study found CIP unrelated to surgical trauma in 4.8% of patients undergoing a groin hernia repair. Most causes of pain unrelated to surgical trauma were musculoskeletal and neurological pathologies. Nearly a third of patients scoring inguinal pain on pain-questionnaires did not have chronic post-surgical pain (CPSP), therefore incidence of CPSP should not be based solely on pain questionnaires. Clinical assessment of patients with pain is necessary to excluded CIP unrelated to the surgical trauma.
Redescription mining-based business process deviance analysis
Authors: Ahmeti Engjëll , Käppel Martin , Jablonski Stefan
Published: November 2024

Business processes often deviate from their expected or desired behavior. Such deviations can be either positive or negative, depending on whether or not they lead to better process performance. Deviance mining addresses the problem of identifying such deviations and explaining why a process deviates. In this paper, we propose a novel approach to identify and explain the causes of deviant process executions based on the technique of redescription mining, which extracts knowledge in the form of logical rules. By analyzing, comparing, and filtering these rules, the reasons for the deviant behaviors of a business process are identified both in general and for particular process instances. Afterward, the results of this analysis are transformed into a concise and well-readable natural language text that can be used by business analysts and process owners to optimize processes in a reasoned manner. We evaluate our approach from different angles using four process models and provide some advice for further optimization.