bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantitative systems toxicology modeling in pharmaceutical research and development: An industry‐wide survey and selected case study examples
Authors: Beattie Kylie A. , Verma Meghna , Brennan Richard J. , Clausznitzer Diana , Damian Valeriu , Leishman Derek , Spilker Mary E. , Boras Britton , Li Zhenhong , Oziolor Elias , Rieger Theodore R. , Sher Anna 
Published: October 2024

AbstractQuantitative systems toxicology (QST) models are increasingly being applied for predicting and understanding toxicity liabilities in pharmaceutical research and development. A European Federation of Pharmaceutical Industries and Associations (EFPIA)‐wide survey was completed by 15 companies. The results provide insights into the current use of QST models across the industry. 73% of responding companies with more than 10,000 employees utilize QST models. The most applied QST models are for liver, cardiac electrophysiology, and bone marrow/hematology. Responders indicated particular interest in QST models for the central nervous system (CNS), kidney, lung, and skin. QST models are used to support decisions in both preclinical and clinical stages of pharmaceutical development. The survey suggests high demand for QST models and resource limitations were indicated as a common obstacle to broader use and impact. Increased investment in QST resources and training may accelerate application and impact. Case studies of QST model use in decision‐making within EFPIA companies are also discussed. This article aims to (i) share industry experience and learnings from applying QST models to inform decision‐making in drug discovery and development programs, and (ii) share approaches taken during QST model development and validation and compare these with recommendations for modeling best practices and frameworks proposed in the literature. Discussion of QST‐specific applications in relation to these modeling frameworks is relevant in the context of the recently proposed International Council for Harmonization (ICH) M15 guideline on general principles for Model‐Informed Drug Development (MIDD).
Stubborn State and Disturbance Observer Co‐Design for Nonlinear Descriptor Systems With δQC$$ \delta \mathrm{QC} $$ via a Dynamic Event‐Triggered Mechanism
Authors: Liu Leipo , Wen Qiaofeng , Li Yanan , Fu Dexin , Cai Xiushan 
Published: October 2024

ABSTRACTThis article studies the state and disturbance simultaneous estimation problem for a class of nonlinear descriptor systems with using a dynamic event‐triggered mechanism. refers to incremental quadratic constraints, which can provide a unified description of many types of common nonlinear functions. To reduce the negative impact of measurement outliers on the identification estimation, a stubborn state and disturbance observer co‐design scheme is proposed for the first time by embedding dynamic saturation output estimation errors. Meanwhile, a dynamic event‐triggered mechanism is introduced to avoid the need for continuously available output information, which can reduce the pressure on communication resources. By constructing a Lyapunov function, existence conditions of the stubborn state and disturbance observer are obtained in the form of a convex optimization problem so that the error estimation maintains an acceptable estimation performance. Finally, simulation examples illustrate the universality and stubbornness of the proposed observer.
Effects of maize residue and biochar applications on soil δ13C and organic carbon sources in a subtropical paddy rice ecosystem
Authors: Jin Qiang , Wang Weiqi , Liu Xuyang , Lin Shaoying , Sardans Jordi , Fang Yunying , Vancov Tony , Tariq Akash , Zeng Fanjiang , Peñuelas Josep 
Published: October 2024

AbstractThis study investigates the utility of plant δ¹3C natural labeling in predicting the impacts of environmental shifts on carbon cycling within ecosystems, particularly focusing on paddy fields treated with maize (Zea mays L.) residues and biochar. Specifically, it examines how soil δ¹3C and the sources of soil organic carbon (SOC), respond in paddy fields (which cultivate C3 plants like rice) when amended with maize residues, maize biochar, and silica‐enriched biochar (derived from C4 plants). Conducted in the Fuzhou paddy fields, the experiment included control groups and treatment groups with maize residue (4 t ha⁻¹), maize biochar (4 t ha⁻¹), and silicon‐modified maize biochar (4 t ha⁻¹) during both the early and late rice growth periods. The results indicate that all soil treatments increased soil δ¹3C. The application of maize residues notably affected the δ¹3C of the upper soil profile (0–15 cm) differently from the deeper layers (15–30 cm), and it increased soil organic C more than biochar or silicon‐modified maize biochar. Soil available P (AP) and pH emerged as significant factors linking δ¹3C, influencing rice yield through changes in soil physicochemical properties. Unlike maize residues, which reduced rice yields, applications of biochar and silicon‐modified maize biochar increased rice yields. The latter, which was particularly effective in lowering SOC decomposition rates and addressing rice's silica needs, emerged as the preferred option. The study highlights maize biochar and silicon‐modified maize biochar as sustainable alternatives to maize residues for rice cultivation, enhancing soil fertility, carbon pool stability, and yields.
Efficient Nano Composite (Cerium/Aluminum Nitrate) in the Process of Desulfurization
Authors: Aljalif Ali , Bahari Ali , Hamidabadi Vaheed Fallah 
Published: October 2024

AbstractIn the present work, a lot of efforts have been made to reduce the sulfur particles, as main pollutants, from gasoline with using cerium (Ce) and Al(NO3)3 nano composites measured with Reference method: ASTM D7039‐15. The sulfur crystallite number was around 7235 ppm for DS (Ni (NO3)2 and urea). These unwanted sulfur particles reached to 3028 ppm for y (Al (NO3)3)/x (Ce)=0.25 in weight ratio, without using centrifuge process. This result is a very good due to some points: The present experimental works have been done at the room temperature and atmosphere environment, whilst many other works, as addressed here, have needed higher temperature and pressures. To our knowledge, Ce, Aluminum nitrate and urea as nano composite materials have need been used for desulfurization processes. Moreover, some relevant techniques such as X‐ray powder diffraction (XRD), Energy dispersive X‐ray analysis (EDX), Fourier Transform Infrared (FTIR) spectroscopy, X‐ray photoelectron spectroscopy (XPS), UV‐Vis spectroscopy, transmission electron microscopy (TEM), and Dynamic light scattering (DLS) have also been used.
Identification of Potential Inhibitors for Poly(ADP‐ribose) Polymerase‐10 (PARP10): Virtual Screening, Molecular Docking, and Molecular Dynamics Simulations
Authors: Lotfi Ghazaleh , Mohebbi Shohreh , Mohammadian Berneti Atefeh , Amanlou Massoud , Salehabadi Hafezeh 
Published: October 2024

AbstractPoly(ADP‐ribose) polymerase‐10 (PARP10) is a critical enzyme involved in DNA damage repair. Its function in cellular repair mechanisms has been implicated in the development of chemoresistance and radioresistance in cancer cells. Consequently, PARP10 inhibition represents a promising, albeit challenging, and therapeutic target for various cancer types. This study aims to discover new PARP10 potential inhibitors via a hybrid of in silico approaches. Initially, pharmacophore‐based virtual screening was conducted on the ZINC and NCI databases. The resulting compounds were subsequently subjected to molecular docking studies to identify potential new PARP10 inhibitors. Subsequently, classical molecular dynamics (MD) simulations were conducted to evaluate and compare the dynamic behavior of the selected ligand, veliparib, and OUL35, a selective PARP10 inhibitor. Ultimately, compound ZINC20906412 was found as a potential lead compound based on its docking score and favorable interactions within the PARP10 active site. This compound may offer therapeutic potential for cancer treatment.
Fabrication, Physical, Structural, Optical Properties, and γ‐Ray Attenuation Attributes of Germanate Borosilicate Glasses: Role of GeO2
Authors: Al‐Ghamdi Hanan , Alsaif Norah A.M. , Alfryyan Nada , Abouhaswa A.S. , Rammah Y.S. 
Published: October 2024

AbstractSamples of germanium borosilicate glasses with chemical formula 50.5B2O3 + 0.5CeO2 + 10SiO2 + (20‐x) CaO + 19Na2O + XGeO2 with 0 (GeO0) ≤ X ≤ 5 (GeO5) mol% were fabricated by using the melt quenching technique. Structure, physical, and optical properties as well as radiation attenuation capacity was examined. XRD data confirmed that GeOX samples were in amorphous state. The density (ρ) of the prepared glass samples increased from 2.24 to 2.55 g/cm3, while the molar volume (Vm) slightly declined from 26.8 to 26.42 cm3/mol. The UV absorption edge shifted to a higher wavelength as the concentration of GeO2 increased. The values of direct band gap ranged from 3.36 to 2.91 eV, and the indirect ranged from 3.12 to 2.75 eV. Urbach energy (Eu) values fluctuated between 0.65 to 0.16 eV. As the Ge4+ ion increased, the glass sample's refractive index enhanced. Mass attenuation coefficients (MACs) of GeOX samples increased from 6.788 to 10.381 cm2/g at 0.015 MeV. The GeO5 sample possessed the lowest half value layer (HVL) and mean free path (MFP). Effective atomic number (Zeff) of GeOX possessed the same trend of MAC. Results confirmed that the suggested GeOX glasses can be applied in different optical and radiation attenuation applications.
ZGSO:Cr3+,Ni2+ Persistent Phosphors with Dual Emission in NIR‐I and SWIR Ranges for Bio‐Imaging Applications
Authors: Cai Guanyu , Naillon Thomas , Seguin Johanne , Scherman Daniel , Mignet Nathalie , Chaneac Corinne , Richard Cyrille , Viana Bruno 
Published: October 2024

AbstractPersistent luminescence (PersL) is widely used for near infrared (NIR‐I, 650–950 nm) imaging as they allow getting images without background. Bio‐imaging in the second shortwave‐infrared region SWIR‐II (NIR‐II, 1000–1400 nm) is less widespread but is growing as it offers the advantages of low photon scattering, increased in vivo penetration depth, and improved imaging clarity. In this work, the preparation and the complete optical properties of a new material is reported, Zn1.33Ga1.33Ni0.005Cr0.005Sn0.33O3.995 (ZGSO:Cr3+, Ni2+) able of emitting in both deep‐red/NIR‐I and SWIR (NIR‐II) and shows its potential in bioimaging. ZGSO:Cr3+, Ni2+ can be excited using different sources such as X‐rays, UV, and visible light to emit persistent signals in dual biological windows (dual‐BW). By integrating an energy transfer process from Cr3+ to Ni2+ within this newly synthesized material, the influence of co‐dopants on signal intensity and emission wavelengths is sought to explore. PersL at ≈700 nm (NIR‐I) and ≈1300 nm (NIR‐II) have been tested in preliminary bioimaging experiments using different protocols, allowing signal detection with good spatial resolution and depth sensitivity. The dual‐BW PersL imaging strategy expands the toolbox for highly accurate analysis and has, for the first time, allowed access to accurately high‐resolution sensing, and tracing.
Comprehensive Review on the Synthesis of [1,2,3]Triazolo[1,5‐a]Quinolines
Authors: Da Costa Gabriel P. , Sacramento Manoela , Barcellos Angelita M. , Alves Diego 
Published: October 2024

AbstractThis report outlines the evolution and recent progress about the different protocols to synthesize the N‐heterocycles fused hybrids, specifically [1,2,3]triazolo[1,5‐a]quinoline. This review encompasses a broad range of approaches, describing several reactions for obtaining this since, such as dehydrogenative cyclization, oxidative N−N coupling, Dieckmann condensation, intramolecular Heck, (3+2)‐cycloaddition, Ullman‐type coupling and direct intramolecular arylation reactions. We divided this review in three section based in the starting materials to synthesize the target [1,2,3]triazolo[1,5‐a]quinolines. Starting materials containing quinoline or triazole units previously formed, as well as starting materials which both quinoline and triazole units are formed in situ. Different methods of obtaining are described, such as metal‐free or catalyzed conditions, azide‐free, using conventional heating or alternative energy sources, such as electrochemical and photochemical methods. Mechanistic insights underlying the reported reactions were also described in this comprehensive review.
Parental assigned chromosomes for cultivated cacao provides insights into genetic architecture underlying resistance to vascular streak dieback
Authors: Tobias Peri A. , Downs Jacob , Epaina Peter , Singh Gurpreet , Park Robert F. , Edwards Richard J. , Brugman Eirene , Zulkifli Andi , Muhammad Junaid , Purwantara Agus , Guest David I. 
Published: October 2024

AbstractDiseases of Theobroma cacao L. (Malvaceae) disrupt cocoa bean supply and economically impact growers. Vascular streak dieback (VSD), caused by Ceratobasidium theobromae, is a new encounter disease of cacao currently contained to southeast Asia and Melanesia. Resistance to VSD has been tested with large progeny trials in Sulawesi, Indonesia, and in Papua New Guinea with the identification of informative quantitative trait loci (QTLs). Using a VSD susceptible progeny tree (clone 26), derived from a resistant and susceptible parental cross, we assembled the genome to chromosome‐level and discriminated alleles inherited from either resistant or susceptible parents. The parentally phased genomes were annotated for all predicted genes and then specifically for resistance genes of the nucleotide‐binding site leucine‐rich repeat class (NLR). On investigation, we determined the presence of NLR clusters and other potential disease response gene candidates in proximity to informative QTLs. We identified structural variants within NLRs inherited from parentals. We present the first diploid, fully scaffolded, and parentally phased genome resource for T. cacao L. and provide insights into the genetics underlying resistance and susceptibility to VSD.
Impact of agricultural intervention on income and employment in hoar wetland areas of Bangladesh
Authors: Ahamed Jasim Uddin , Marium Bibi , Begum Ismat Ara , Ding Shijun , Ahmed Tukir , Molla Md. Mosharraf Uddin , Alam Mohammad Jahangir 
Published: October 2024

AbstractThe study aimed to investigate the current scenario of wetland households and the impact of agricultural interventions. It also sought to qualitatively assess rural development, the food system, and poverty from the perspective of wetland areas in Bangladesh. A total of 1000 respondents were selected using a simple random sampling technique. Descriptive statistics and econometric models were employed for data analysis. The findings reveal that livelihood activities are seasonal. They also indicate that rice‐valued well‐being has significantly improved due to successive agricultural policy regimes. Additionally, protection interventions, well‐being, and policy periods were negatively associated with poverty. The study found that agricultural interventions have substantially enhanced income, employment, and labor productivity due to successive agricultural policy regimes. To advance development in wetland areas, it is recommended to focus on enhancing local knowledge, implementing river erosion control measures, developing rice varieties, diversifying crops, improving flood control measures, establishing a nutritious food supply chain, and enacting relevant regulations.
The Effects of Concentrate Supplement Levels on Feed Utilization and Red Meat Production of Blackhead Somali Sheep Fed Natural Pasture Grass Hay as a Basal Diet
Authors: Yimenu Shashie Ayele , Letta Mengistu Urge 
Published: October 2024

ABSTRACTBackgroundIn recent years, consumers have become aware of their health, and their preference has been rapidly changing to consume less fatty meat. Therefore, devising a strategy to produce lean meat is a concern in this study. One of the strategies, among others, for lean meat production is controlling the amount of supplements given to sheep. Hence, muscle (lean) and adipose tissue (fat) require different amounts of energy to lie down.ObjectivesThis study was conducted to evaluate the effects of concentrate supplementation levels on feed utilization and red meat production in Blackhead Somali sheep (BHS) fed natural pasture grass hay as a basal diet.Materials and MethodsA total of 16 BHS sheep weighing 19.5 ± 0.2 kg (mean ± SE) at the beginning of the experiment were kept for 90 days by feeding two levels (1% [T1] and 1.75% [T2] body weight [BW] of sheep) of supplement. The sheep were blocked according to their initial BW (IBW), and the supplements were randomly assigned within a block. At the end of the feeding period, all sheep were slaughtered, and carcass and non‐carcass data were recorded. Data were analysed using the SAS software version 9.1 of PROC GLM programme.ResultsSheep fed T1 and T2 consumed 6.1 and 8.2 MJ/day metabolizable energy (ME), respectively, and 73.1 and 93.6 g/day crude protein (CP), in that order. Consequently, sheep fed T2 produced 1.37 kg extra BW by growing an average rate of 15 g/day greater (p < 0.0001) over their counterpart fed T1. They also produced 0.9 kg, 0.8 cm2 and 2.64% heavier carcasses, a wider rib eye area and a higher intramuscular fat content (p < 0.0001), respectively, over the sheep fed T1. On the other hand, the lean‐to‐fat ratio was significantly lower in sheep fed T2 than T1. In most parameters considered in this study, sheep fed T2 (1.75% BW) were superior, but its intramuscular fat (IMF) content was much higher than the limit that the consumers needed.ConclusionTherefore, it can be concluded that 1% BW supplementation is enough for BHS to produce lean meat containing the optimal fat content in stall feeding condition.
Editorial diversity correlates with journal impact factor and author diversity in cardiothoracic surgery
Authors: Martins Russell Seth , Umar Zainab , Amir Muhammad Ali , Jogezai Zulfiqar Haider , Ahmed Warda , Barolia Mehak , Razi Syed Shahzad , Poulikidis Kostantinos , Latif M. Jawad , Martin Linda W. , Molena Daniela , Bhora Faiz Y. 
Published: October 2024

AbstractIntroductionWhile there are no widely accepted diversity, equity, and inclusion (DEI) metrics for journals, geographic and sex diversity across a journal's editorial board may provide a surrogate measure of its commitment to DEI. We explored the association between journal quality and DEI metrics for cardiothoracic surgery (CTS) journals and investigated whether editorial diversity correlates with diversity across published articles.MethodsWe collected the following data for 30 CTS journals: country of publication (categorized by income level), journal quality metrics (citation‐based metrics, e.g., impact factor (IF) or H‐index), and sex and geographic representation across editorial boards and published articles. Bivariate correlations between numeric variables were assessed using Spearman's correlation.ResultsFemale representation across editorial boards was 12.1%. Most editorial board members belonged to the United States (35.2%), with only 7.4% from the lower‐middle‐income countries and 0% from low‐income countries. IF showed a strong positive correlation with female editorial representation (r = 0.70) but an inverse correlation with low‐ and middle‐income countries (LMICs) editorial representation (r = −0.45). Female editorial representation demonstrated a significant positive correlation with female first authorship (r = 0.45), whereas LMIC editorial representation correlated strongly with LMIC corresponding authorship (r = 0.85).ConclusionWomen and researchers from LMICs are in the minority across editorial boards of CTS journals. However, a strong correlation between journal H‐index and female editorial representation indicates that top‐ranked journals are spearheading efforts to improve equitable sex‐based and gender representations. Similar efforts are required to ensure more global geographic representation across editorial boards and top‐ranked CTS journals are the best placed to lead by example.
The Systemic Importance of Cyber Risk in Banks
Authors: Birindelli Giuliana , Iannuzzi Antonia Patrizia 
Published: October 2024

AbstractThis chapter aims to analyse cyber risk with specific regard to the banking and financial sector by highlighting the progress made in academic studies (section “The Cyber Risk in Banks: A Literature Review”), the systemic impacts of this risk (section “Cyber Risk as a Systemic Risk”) as well as the point of view of supervisory authorities (section “The Point of View of Financial Regulators”). At the end of the chapter, data provided by the ORBIS database are reported in order to understand current bank (and other financial institutions) exposure to this new and sophisticated risk (section “Banks’ Exposure to Cyber Risk: Some Empirical Evidence”).
Towards complexity in de Sitter space from the doubled-scaled Sachdev-Ye-Kitaev model
Authors: Aguilar-Gutierrez Sergio E. 
Published: October 2024

Abstract
How can we define complexity in dS space from microscopic principles? Based on recent developments pointing towards a correspondence between a pair of double-scaled Sachdev-Ye-Kitaev (DSSYK) models/ 2D Liouville-de Sitter (LdS2) field theory/ 3D Schwarzschild de Sitter (SdS3) space in [1–3], we study concrete complexity proposals in the microscopic models and their dual descriptions. First, we examine the spread complexity of the maximal entropy state of the doubled DSSYK model. We show that it counts the number of entangled chord states in its doubled Hilbert space. We interpret spread complexity in terms of a time difference between antipodal observers in SdS3 space, and a boundary time difference of the dual LdS2 CFTs. This provides a new connection between entanglement and geometry in dS space. Second, Krylov complexity, which describes operator growth, is computed for physical operators on all sides of the correspondence. Their late time evolution behaves as expected for chaotic systems. Later, we define the query complexity in the LdS2 model as the number of steps in an algorithm computing n-point correlation functions of boundary operators of the corresponding antipodal points in SdS3 space. We interpret query complexity as the number of matter operator chord insertions in a cylinder amplitude in the DSSYK, and the number of junctions of Wilson lines between antipodal static patch observers in SdS3 space. Finally, we evaluate a specific proposal of Nielsen complexity for the DSSYK model and comment on its possible dual manifestations.
Bootstrapping multi-wound twist effects in symmetric orbifold CFTs
Authors: Guo Bin , Hampton Shaun D. 
Published: October 2024

Abstract
We investigate the effects of the twist-2 operator in 2D symmetric orbifold CFTs. The twist operator can join together a twist-M state and a twist-N state, creating a twist-(M + N) state. This process involves three effects: pair creation, propagation, and contraction. We study these effects by using a Bogoliubov ansatz and conformal symmetry. In this multi-wound scenario, pair creation no longer decouples from propagation, in contrast to the previous study where M = N = 1. We derive equations for these effects, which organize themselves into recursion relations and constraints. Using the recursion relations, we can determine the infinite number of coefficients in the effects through a finite number of inputs. Moreover, the number of required inputs can be further reduced by applying constraints.