bluuebunny/crossref_metadata_2025_split huggingface dataset:
Straightforward Synthesis of Poly(Vinyl Acetate)‐b‐Polystyrene Copolymers Through Sequential Reversible Addition−Fragmentation Chain‐Transfer (RAFT) Polymerization: A Case Study With a Commercially Available Iniferter Agent
Authors: Lin Chih‐Yin , Liu Ying‐Ling 
Published: October 2024

ABSTRACTAlthough reversible addition‐fragmentation chain‐transfer (RAFT) polymerization has shown great ability for the synthesis of block copolymers through sequential polymerization, some limits have been encountered for the block copolymers from a more activated monomer (MAM) and a less activated monomer (LAM) due to the unsuitability of transfer agents for the both classes of monomers. In this work, an effective case of synthesis of block copolymers of vinyl acetate (VAc, a LAM) and styrene (a MAM) through sequential VAc and styrene RAFT polymerizations within one commercially available RAFT agent (BM1481) has been demonstrated. A PVAc‐b‐PS block copolymer having a molecular weight and a polydispersity index of 15,270 Da and 1.24 has been obtained. Nevertheless, the opposite sequential RAFT polymerizations of styrene and VAc are not effective for the targeting block copolymers. The prepared PVAc‐b‐PS block copolymer has shown amphiphilic characteristics with formation of core‐shell particles in selective solvents and the application of macro‐surfactants for the polymer blends of PS and PVAc. The results associate to attractive advances in both polymer chemistry and polymer materials.
Reparametrizing Joback's Group Additivity Theory – Thermochemical Building Blocks for Targeted Design of New Compounds
Authors: Wahler Sabrina 
Published: October 2024

AbstractThis study aims to investigate if complex machine‐learning models are required to predict certain properties of materials, or if simple linear regression models also give sufficiently accurate predictions of thermochemical properties and density. An in‐depth analysis of Joback's method in combination with statistical models, and the density predictions by Holden, Keshavarz, and Bondarchuk are made. Updated Group increment tables for Joback's method are provided. The ‘Parametrization of Empirical Approximations using Statistical Methods’ (PEAS) is intended to evaluate if it could be better to resort to simpler methods in certain cases. Additionally, a data set analysis tool named “Group Extraction Analysis Tool for Deviations in approximating numerical modeling errors” (Great Dane©) is presented.
Study on the Thermal Safety of 3,7‐Dinitro‐1,3,5,7‐Tetraazabicyclo[3.3.1]nonane Synthesized by Nitrolysis of Hexamine
Authors: Wang Zhi , Jin Shaohua , Gu Guanghui , Chao Hui , Qian Shichuan , Xu Yinguang , Wang Fan , Wei Yulin , Zhao Xinping , Lu Zhiyan , Chen Shusen , Chen Kun 
Published: October 2024

AbstractThe thermal flow curves of the nitrolysis for the synthesis of 3,7‐dinitro‐1,3,5,7‐tetraazabicyclo[3.3.1]nonane (DPT) from hexamine in the presence of different amounts of acetic anhydride were obtained using reaction calorimetry. The maximum heat release rates during the feeding process, the corresponding maximum adiabatic temperature rises, and the Maximum Temperature of the Synthesis Reaction (MTSR) were determined, respectively. The thermal stability of the reaction product DPT and the reaction mixture was analyzed, and data on their thermal decomposition characteristics were obtained. The thermal decomposition kinetic model was utilized to simulate the stability under adiabatic conditions. TD24 (The temperature corresponding to the time required to reach the maximum reaction rate under adiabatic conditions for 24 hours) of the reaction mixture was calculated as 69.65°C. According to the thermal hazard parameters of the reaction, the process's hazard level under various acetic anhydride addition conditions was determined to be level 5 using the cooling failure scenario method.
Local biodiversity actions for sustainable development goal 15 (life on land) in China
Authors: Zhou Guangjin , Zhang Riqi , Su Yiming , Lan Yang , Wang Lingqing , Dunn Matilda Eve , Xia Xinming , Liang Tao , Guan Li , Huan Yizhong , Wang Siyu 
Published: October 2024

AbstractAchieving sustainable development goal (SDG) 15 (life on land) depends on local conservation efforts. However, the lack of species data and inadequate ecological corridor designs significantly hinder conservation efficiency. This study focused on Sanmenxia City in China and utilized the Integrated Valuation of Ecosystem Services and Trade‐offs model, the GeoDetector model, and the Minimum Cumulative Resistance model to identify potential habitats, their influencing factors, and ecological corridors. We then adopted a new corridor feasibility model to compare the impacts of different ecological resistance, thereby identifying key biodiversity spaces. Results indicated a decline in habitat quality since 2000, primarily influenced by climate, topography, and land use. Simulation‐derived corridors using the habitat quality method were more effective than those based on expert experience. We identified 2808.45 km2 of potential habitats and 20 critical corridors for land animals. This study deepens the understanding of ecological resistance impacts on corridors and provides new insights into local actions for SDG 15.
X‐Ray Photoelectron Spectroscopy Analysis of Indium and Indium‐Containing Compounds
Authors: Henderson Jeffrey D. , Pearson Laurel , Nie Heng‐Yong , Biesinger Mark C. 
Published: October 2024

ABSTRACTX‐ray photoelectron spectroscopy (XPS) is widely employed across various research fields due to its surface and chemical sensitivity. However, accurate interpretation poses a challenge due to the lack of comprehensive reference data in the literature, leading to misinterpretation, especially among novice users. Analyzing the chemical state of indium and indium‐containing compounds is particularly challenging due to subtle shifts in the binding energies of the commonly used 3d core line. This paper presents and discusses a collection of reference data, including the In 3d, In 3p, In 4d, In MNN, and relevant counter ion signals. Additionally, it explores other useful information such as the modified Auger parameter and Wagner (or chemical state) plots. The utility of X‐ray–induced Auger electrons is demonstrated in the speciation of mixed systems.
Designing a Highly Crystalline Polymer Donor with Alkylsilyl and Fluorine Substitution to Achieve Efficient Ternary Organic Solar Cells
Authors: Xu Zhigang , Du Bo , Zhang Panpan , Wu Shangrong , Bin Haijun , Li Yongfang 
Published: October 2024

AbstractAdopting a ternary strategy is an effective approach to enhance the power conversion efficiency (PCE) in organic solar cells (OSCs). Previous research on highly efficient ternary systems has predominantly focused on those based on highly crystalline dual small molecule acceptors. However, limited attention has been given to ternary systems utilizing dual polymer donors. Herein, by incorporating the fluorine and alkylsilyl substitution, a new polymer donor named PX1 is developed, which demonstrates strong crystallinity and excellent miscibility with polymer PM6. Moreover, PX1 broadens and enhances the absorption properties of the PM6:L8‐BO blends, and its molecular orbital energy level is situated between those of PM6 and L8‐BO, highlighting its suitability as a third component. Introducing 20% PX1 into the PM6:L8‐BO system resulted in a high PCE of 18.82%. PX1 effectively suppresses charge recombination and reduces energy losses, while also serving as a morphology modulator that enhances the crystallization and improves the molecular packing order of the active layer by shortening the π–π stacking distance and extending crystalline coherence length. These factors collectively contribute to the performance improvements in ternary devices. This study demonstrates that employing a dual polymer donor strategy is a promising approach for achieving high‐performance ternary OSCs.
Bayesian Multilayered Mediation Analysis for Cancer Pharmacogenomics
Authors: Seo Dahun , Baladandayuthapani Veerabhadran , Park Taesung , Ha Min Jin 
Published: October 2024

ABSTRACTMultiomic data from multilevel biological systems are becoming common and motivate integrative modelling approaches to decipher within‐ and cross‐platform dependencies. Mediation analysis aims to identify mediating mechanisms that regulate the effect of an exposure on an outcome. In multiomic contexts, identification of genomic mediators of disease outcomes provides a deeper understanding of mechanisms of disease and corresponding therapeutic targets. While there has been significant work on joint modelling of high‐dimensional potential mediators, approaches that can identify individual mediators in presence of high‐dimensional potential mediators are lacking. We posit that the multiomic data are interrelated following multilayered Gaussian graphical models that include undirected and directed acyclic graphs as special cases. We develop a Bayesian inferential framework for multilayered mediation analysis with continuous, binary, and ordinal outcomes using probit models. As opposed to existing approaches focusing on identifying joint mediation effects, we decompose the joint effect into effects attributable to individual mediators in the framework of interventional mediation analysis. Simulations demonstrate our method outperforms other existing approaches to identify mediators that have nonzero indirect effects to the outcome. We apply our method to multiomic analysis on drug sensitivity outcomes of palbociclib and agents for endocrine therapy, standard care for breast cancer.
Theoretical and finite element analysis of concrete filled steel tube columns‐steel reinforced ECC ring beam connections
Authors: Dong Bingqing , Zhang Shuo , Yan Kai , Pan Jinlong , Wang Shangyu 
Published: October 2024

AbstractTo improve the bearing capacity and optimize the allocation of ring beam connection, a new type of steel reinforced engineered cementitious composite (ECC) ring beam connection linking the reinforced concrete (RC) beam and the concrete‐filled steel tube (CFST) column was presented. The superior tensile property of ECC can significantly solve the cracking problem that weakens the bearing capacity of the ring beam. In this paper, the failure mechanisms, contact press analysis and strain distribution of steel reinforcement for reinforced engineered cementitious composite (RECC) ring beam joints were analyzed by finite element analysis. Moreover, based on the ultimate equilibrium method, a comprehensive study was conducted on the stress transfer mechanism for the RECC ring beam joint. The bearing capacity model and simplified computational method for the beam‐to‐CFST column with RECC ring beam were proposed. Finally, the calculation method was demonstrated with experimental results. Comparison results showed good agreement, proving that the proposed bearing capacity calculation model had reliability and theoretical significance.
Uncovering the Embryonic Origins of Duchenne Muscular Dystrophy
Authors: Barrett Philip , Louie Ke'ale W. , Dupont Jean‐Baptiste , Mack David L. , Maves Lisa 
Published: October 2024

ABSTRACTDuchenne muscular dystrophy (DMD) is a severe degenerative muscle disease caused by mutations in the DMD gene, which encodes dystrophin. Despite its initial description in the late 19th century by French neurologist Guillaume Duchenne de Boulogne, and identification of causal DMD genetic mutations in the 1980s, therapeutics remain challenging. The current standard of care is corticosteroid treatment, which delays the progression of muscle dysfunction but is associated with significant adverse effects. Emerging therapeutic approaches, including AAV‐mediated gene transfer, CRISPR gene editing, and small molecule interventions, are under development but face considerable obstacles. Although DMD is viewed as a progressive muscle disease, muscle damage and abnormal molecular signatures are already evident during fetal myogenesis. This early onset of pathology suggests that the limited success of current therapies may partly be due to their administration after aberrant embryonic myogenesis has occurred in the absence of dystrophin. Consequently, identifying optimal therapeutic strategies and intervention windows for DMD may depend on a better understanding of the earliest DMD disease mechanisms. As newer techniques are applied, the field is gaining increasingly detailed insights into the early muscle developmental abnormalities in DMD. A comprehensive understanding of the initial events in DMD pathogenesis and progression will facilitate the generation and testing of effective therapeutic interventions.
Tiere haben eine Würde …
Authors: Michel Margot 
Published: October 2024

ZusammenfassungDie schweizerische Bundesverfassung garantiert die Berücksichtigung der Würde der Kreatur. Art. 120 BV, welcher der «Gentechnologie im Ausserhumanbereich» gewidmet ist, lautet:1 Der Mensch und seine Umwelt sind vor Missbräuchen der Gentechnologie geschützt.2 Der Bund erlässt Vorschriften über den Umgang mit Keim- und Erbgut von Tieren, Pflanzen und anderen Organismen. Er trägt dabei der Würde der Kreatur sowie der Sicherheit von Mensch, Tier und Umwelt Rechnung und schützt die genetische Vielfalt der Tier- und Pflanzenarten.
Das Reich der Zwecke nimmt neue Bewohner auf: Die Ausweitung der Rechtsträgerschaft auf Tiere
Authors: Michel Margot 
Published: October 2024

ZusammenfassungAus den vorangehenden Gedanken ergibt sich, dass Rechte nicht direkt an das Haben bzw. an das «Sein» eines Körpers anknüpfen, sondern an die Person. Der menschliche Körper ist also deshalb rechtlich privilegiert, weil er mit einer Person verbunden ist, zu einer Person gehört. Allerdings fallen die Begriffe (natürliche) Person und Mensch im geltenden Recht zusammen: Weder setzt das Recht für den Status als Person besondere menschliche Fähigkeiten noch eine bestimmte (menschliche) Erscheinung voraus. Der Mensch ist also Person und damit Rechtsträger, weil er Mensch ist – und der Körper des Menschen fällt unter das Personenrecht und nicht unter das Sachenrecht, weil es ein menschlicher Körper ist.
Sollen und können Tiere Rechtsträger sein?
Authors: Michel Margot 
Published: October 2024

ZusammenfassungDie Frage, ob Tiere Rechtssubjekte sein sollen, ob ihnen mithin Rechtspersönlichkeit bzw. der Status als Rechtsperson zuerkannt werden soll, ist eine normative und damit letztlich rechtsethische Frage. Eine blosse rechtsphilosophische bzw. -theoretische Analyse des Begriffs der Rechtsperson vermag diese Frage jedenfalls nicht zu beantworten. Sie läuft schon deswegen ins Leere, weil sich der Begriff der Rechtsperson mittlerweile von seinem philosophischen Bezugsrahmen gelöst hat. Dies hat sich bereits bei der Auseinandersetzung mit der Ausdehnung des Rechtediskurses im Zuge der menschenrechtlichen Diskussion gezeigt.
Integritätsrechte als subjektive Rechte: Zwischen Willensfreiheit und Interessen
Authors: Michel Margot 
Published: October 2024

ZusammenfassungÜber die Frage, was subjektive bzw. individuelle Rechte schützen, besteht ebenso wenig Einigkeit wie über die Frage, wie sie theoretisch zu fassen sind. Bis heute prägen jedoch die Willenstheorie und die Interessentheorie sowie auf diesen Theorien basierende Kombinationsvorschläge die Diskussion um das Wesen des subjektiven Rechts. Dabei handelt es sich um ursprünglich aus der Mitte des 19. Jahrhunderts stammende Modellvorstellungen dafür, worin der Zweck individueller Rechte liegt. Die Diskussion hat sich mittlerweile vielfach und auch international beinahe unüberblickbar aufgefächert. Sie kann und soll hier nicht in ihrer rechtsphilosophischen und rechtsdogmatischen Breite und Tiefe wiedergegeben werden.
Tiere und Menschen: Die Diskussion um die anthropologische Differenz
Authors: Michel Margot 
Published: October 2024

ZusammenfassungAufschlussreich ist zunächst einmal die Bezeichnung für «die Tiere»: In der Antike, insbesondere von Platon, Aristoteles und ihren Zeitgenossen, wurden Tiere und Menschen in der Regel noch mit dem gleichen Begriff als «die Lebewesen» bezeichnet und damit die Gemeinsamkeiten betont. Waren explizit nur die Tiere gemeint, dann hiessen sie «die anderen Lebewesen». Im Hellenismus und der römischen Kaiserzeit trat der Unterschied zwischen Menschen und Tieren deutlich stärker in den Vordergrund: Parallel zur herausragenden Stellung, welche die Vernunft mittlerweile in der Philosophie einnahm, wurden Tiere als die «Lebewesen ohne Logos» bezeichnet, als die Vernunftlosen und Sprachlosen. Sie wurden mithin fortan über eine als Defizit wahrgenommene, als zentral postulierte Eigenschaft definiert.
Herausbildung eines tierethischen Konsenses im 19. Jahrhundert und die Frage seiner Verrechtlichung
Authors: Michel Margot 
Published: October 2024

ZusammenfassungDie Aufarbeitung der Diskussion um die anthropologische Differenz hat die folgenden Punkte deutlich gemacht: Erstens haben die grundlegenden Fragen die Zeiten und Debatten überdauert. Sie sind im Kern dieselben geblieben wie damals: Die Frage, ob sich Menschen von Tieren in einer normativ relevanten Weise unterscheiden, d. h., ob es eine anthropologische Differenz mit normativer Bedeutung überhaupt gibt und was sie für den moralischen Status von Tieren bedeutet. Dabei ist die Problematik virulent, wie Interessenkollisionen zwischen Menschen und Tieren zu lösen sind. Sie kann nur beantwortet werden, wenn vorgängig geklärt wird, welche Interessen als legitim und berechtigt qualifiziert werden und deshalb überhaupt zur Abwägung gebracht werden dürfen, d. h., wann von einem realen Interessenkonflikt ausgegangen werden darf.
Tiere in der Rechtsgeschichte
Authors: Michel Margot 
Published: October 2024

ZusammenfassungIm ältesten bekannten Gesetzeswerk, dem auf den babylonischen König Hammurabi (1728–1686 v.Chr.) zurückgehenden sog. Codex Hammurabi, findet sich bereits ein strafbewehrtes Verbot der Überforderung von arbeitenden Tieren. Die Motivation für diese Regelungen dürfte weniger in der Idee des Tierschutzes als im Bestreben zu suchen sein, die tierliche Arbeitskraft in einer stark von der landwirtschaftlichen Nutzung abhängigen Kultur zu erhalten.
Gehören Tiere zur Rechtsgemeinschaft?
Authors: Michel Margot 
Published: October 2024

ZusammenfassungAus der Perspektive vernunftrechtlicher Rechtstheorien ist der Versuch, Tiere über spezielle Tierschutzgesetze zu schützen, in zweierlei Hinsicht problematisch: Zum einen soll eine rechtliche Regelung für einen Bereich geschaffen werden, der vernunftrechtlich zur Sphäre der Moral bzw. Gesinnung gerechnet wird und deshalb – als Folge der Trennung von Recht und Moral – als nicht verrechtlichbar gilt. Zum anderen beschränken Tierschutzgesetze die Macht des Eigentümers im Interesse eines Rechtsobjekts, eines Tieres. In einem liberalen Staatsverständnis, welches das Recht als Freiheitsordnung versteht und ihm die primäre Aufgabe zuweist, die Freiheit von Rechtssubjekten (d. h. Menschen) so weit wie möglich zu schützen, ist dies eine grosse Herausforderung.
Two-loop five-point two-mass planar integrals and double Lagrangian insertions in a Wilson loop
Authors: Abreu Samuel , Chicherin Dmitry , Sotnikov Vasily , Zoia Simone 
Published: October 2024

Abstract
We consider the complete set of planar two-loop five-point Feynman integrals with two off-shell external legs. These integrals are relevant, for instance, for the calculation of the second-order QCD corrections to the production of two heavy vector bosons in association with a jet or a photon at a hadron collider. We construct pure bases for these integrals and reconstruct their analytic differential equations in canonical form through numerical sampling over finite fields. The newly identified symbol alphabet, one of the most complex to date, provides valuable data for bootstrap methods. We then apply our results to initiate the study of double Lagrangian insertions in a four-cusp Wilson loop in planar maximally supersymmetric Yang-Mills theory, computing it through two loops. We observe that it is finite, conformally invariant in four dimensions, and of uniform transcendentality. Furthermore, we provide numerical evidence for its positivity within the amplituhedron region through two loops.
Leveraging the potential of 1.0-mm i.d. columns in UHPLC-HRMS-based untargeted metabolomics
Authors: La Gioia Danila , Salviati Emanuela , Basilicata Manuela Giovanna , Felici Claudia , Botrugno Oronza A. , Tonon Giovanni , Sommella Eduardo , Campiglia Pietro 
Published: October 2024

AbstractUntargeted metabolomics UHPLC-HRMS workflows typically employ narrowbore 2.1-mm inner diameter (i.d.) columns. However, the wide concentration range of the metabolome and the need to often analyze small sample amounts poses challenges to these approaches. Reducing the column diameter could be a potential solution. Herein, we evaluated the performance of a microbore 1.0-mm i.d. setup compared to the 2.1-mm i.d. benchmark for untargeted metabolomics. The 1.0-mm i.d. setup was implemented on a micro-UHPLC system, while the 2.1-mm i.d. on a standard UHPLC, both coupled to quadrupole-orbitrap HRMS. On polar standard metabolites, a sensitivity gain with an average 3.8-fold increase over the 2.1-mm i.d., along with lower LOD (LODavg 1.48 ng/mL vs. 6.18 ng/mL) and LOQ (LOQavg 4.94 ng/mL vs. 20.60 ng/mL), was observed. The microbore method detected and quantified all metabolites at LLOQ with respect to 2.1, also demonstrating good repeatability with lower CV% for retention times (0.29% vs. 0.63%) and peak areas (4.65% vs. 7.27%). The analysis of various samples, in both RP and HILIC modes, including different plasma volumes, dried blood spots (DBS), and colorectal cancer (CRC) patient-derived organoids (PDOs), in full scan-data dependent mode (FS-DDA) reported a significant increase in MS1 and MS2 features, as well as MS/MS spectral matches by 38.95%, 39.26%, and 18.23%, respectively. These findings demonstrate that 1.0-mm i.d. columns in UHPLC-HRMS could be a potential strategy to enhance coverage for low-amount samples while maintaining the same analytical throughput and robustness of 2.1-mm i.d. formats, with reduced solvent consumption.
Long-term surveys of ungulates’ effects on tree and shrub species in mountainous forests –outcomes and potential limits
Authors: Nopp-Mayr U. , Lechner W. , Reimoser S. , Reimoser F. 
Published: October 2024

AbstractUngulate herbivory might induce different effects on the diversity and growth of trees and shrubs. The density, distribution, and the species of ungulates as well as plant communities’ composition and other factors determine whether ungulate herbivory promotes or limits plants’ diversity and growth. The impacts of ungulates on woody plants are commonly surveyed with exclosure-control approaches. In practice, such surveys frequently only cover short periods of time, addressing immediate management needs. Long-term surveys, documenting lasting effects of ungulate herbivory, are highly needed, but still rare. However, the general transferability of outcomes of long-term surveys might be limited due to different disturbing factors. This study addresses two basic aspects of long-term monitoring in mountainous forests, based on a unique 30-year data set: (1) Possible long-term effects of herbivores on forest vegetation (e.g., species/structural diversity of woody plants) and (2) potential differences between short-term and long-term surveys in terms of height growth patterns. In our study, diversity of woody plant species showed great variability with no significant impact of ungulate herbivory. The presence of ungulates had a significantly negative effect on the vertical structural diversity and growth of trees. Due to the slower growth on control plots, it took trees longer to reach a 160 cm height-threshold with their terminal shoots than on exclosure plots. Our long-term control-exclosure data set indicated that long-term survey data indeed might differ from growth patterns represented by short-term surveys. This can be induced by several factors, like site-specific growth patterns of trees, occurrences of natural abiotic disturbances that influence the functional life of exclosures, and others.