bluuebunny/crossref_metadata_2025_split huggingface dataset:
Decadal‐scale regional variability in monitoring efforts significantly influences fish diversity trends in the Euphrates and Tigris catchments, Türkiye
Authors: Bayçelebi Esra , Kaya Cüneyt , Kurtul Irmak , Turan Davut , Haubrock Phillip Joschka , Soto Ismael , Aksu Sadi , Tarkan Ali Serhan 
Published: May 2024

Abstract
This study investigates the temporal and spatial distribution of species richness in the Turkish portions of the Euphrates and Tigris catchments in Mesopotamia, aiming to identify areas lacking sufficient research and inform future conservation and management efforts.
Data from 153 fish assemblages in the Euphrates catchment and 100 in the Tigris catchment, spanning from 1941 to 2022, were analysed using a combination of analytical occurrence, spatial and space‐for‐time mixed effect models.
Results indicate an increase in reported species over time, attributed to heightened sampling efforts, and reveal significant differences in spatial species richness distribution influenced by uneven sampling and environmental suitability.
Identification of areas with insufficient research, potential undetected species and biodiversity losses highlights the need for improved assessments to prevent unnoticed biodiversity loss and ecosystem degradation.
Our results emphasize the importance of accurate biodiversity assessments for effective conservation and management interventions in these catchments.
Estimating the potential distribution range of the invasive South American suckermouth armoured catfishes Pterygoplichthys spp. in the Indo‐Burma biodiversity hotspot using MaxEnt
Authors: Marr S.M. , Patoka J. , Zworykin D.D. 
Published: May 2024

Abstract
The Indo‐Burma biodiversity hotspot has one of the world's most species‐rich inland waters. However, its freshwater biodiversity faces habitat loss and species extinction due to large‐scale development of water resources, pollution, exploitation of native biota, and introduced non‐native species.
These threats include the South American suckermouth armoured catfishes, Pterygoplichthys spp., that have invaded parts of this biodiversity hotspot. Pterygoplichthys spp. are among the most impactful introduced fishes globally and pose a ‘very high risk’ of becoming invasive once introduced.
This paper aims to compile a distribution database for Pterygoplichthys spp., map their current global distribution, and estimate their potential distribution extent in the Indo‐Burma biodiversity hotspot using MaxEnt.
In the Indo‐Burma region, Pterygoplichthys spp. have already been reported from China, Myanmar, Thailand and Vietnam, with populations also present in neighbouring India, Bangladesh, Malaysia, Singapore and Indonesia. No populations were verified for Cambodia and Laos.
A maximum entropy model was developed based on the current global distribution of Pterygoplichthys spp. The species distribution model showed that the entire biodiversity hotspot, except the spine of the Arkan Mountains and the Hengduan Mountains from Three Gorges to the Hong River Valley, is suitable for Pterygoplichthys spp. An effective temperature of 15°C was identified as the lower limit of Pterygoplichthys spp. habitat suitability.
Pterygoplichthys spp. were identified as a high‐risk taxon for freshwaters of almost the entire Indo‐Burma biodiversity hotspot. A coordinated management plan for Pterygoplichthys spp. is required to safeguard the freshwater biota of the Indo‐Burma freshwater ecosystems.
Evaluating gender effect in the generic bioequivalence studies by physiologically based pharmacokinetic modeling – A case study of dextromethorphan modified release tablets
Authors: Gundeti Manoj , Murthy Aditya , Jamdade Shubham , Ahmed Tausif 
Published: May 2024

AbstractThe United States Food and Drug Administration guidelines for the bioequivalence (BE) testing of the generic drug products suggests that there should be an equal proportion of male and female population in the BE study. Despite this requirement, many generic drug companies do not maintain the suggested proportion of female population in their studies. Several socio‐economic and cultural factors lead to lower participation of the females in the BE studies. More recently, the regulatory agencies across the globe are requesting the generic drug companies to demonstrate the performance of their drug products in the under‐represented sex via additional studies. In this work, we describe the case of Dextromethorphan modified release tablets where the gender effect on the product performance was evaluated by physiologically based pharmacokinetic (PBPK) modeling approach. We have compared the drug product's performance by population simulations considering four different scenarios. The data from all‐male population (from in house Pharmacokinetic [PK] BE studies) was considered as a reference and other scenarios were compared against the all‐male population data. In the first scenario, we made a comparison between all‐male (100% male) vs all‐female (100% female) population. Second scenario was as per agency’s requirements—equal proportion of male and female in the BE study. As an extreme scenario, 100% male vs 30:70 male:female was considered (higher females than males in the BE studies). Finally, as a more realistic scenario, 100% male versus 70:30 male:female was considered (lower females than males in the BE studies). Population PK followed by virtual BE was employed to demonstrate the similarity/differences in the drug product performance between the sexes. This approach can be potentially utilized to seek BE study waivers thus saving cost and accelerating the entry of the generic products to the market.
Expanding the clinical phenotype and genetic spectrum of GEMIN5 disorders: Early‐infantile developmental and epileptic encephalopathies
Authors: Zhang Jing , Liu Xinting , Zhu Gang , Wan Lin , Liang Yan , Li Nannan , Huang Mingwei , Yang Guang 
Published: May 2024

AbstractBackgroundSeveral biallelic truncating and missense variants of the gem nuclear organelle–associated protein 5 (GEMIN5) gene have been reported to cause neurodevelopmental disorders characterized by cerebellar atrophy, intellectual disability, and motor dysfunction. However, the association between biallelic GEMIN5 variants and early‐infantile developmental and epileptic encephalopathies (EIDEEs) has not been reported.PurposeThis study aimed to expand the phenotypic spectrum of GEMIN5 and explore the correlations between epilepsy and molecular sub‐regional locations.MethodsWe performed whole‐exome sequencing in two patients with EIDEE with unexplained etiologies. The damaging effects of variants were predicted using multiple in silico tools and modeling. All reported patients with GEMIN5 pathogenic variants and detailed neurological phenotypes were analyzed to evaluate the genotype–phenotype relationship.ResultsNovel biallelic GEMIN5 variants were identified in two unrelated female patients with EIDEE, including a frameshift variant (Hg19, chr5:154284147‐154284148delCT: NM_015465: c.2551_c.2552delCT: p.(Leu851fs*30)), a nonsense mutation (Hg19, chr5:154299603‐154299603delTinsAGA: NM_015465: c.1523delTinsAGA: p.(Leu508*)), and two missense variants (Hg19, chr5:154282663T > A: NM_015465: c.2705T > A: p.(Leu902Gln) and Hg19, chr5:154281002C > G: NM_015465: c.2911C > G: p.(Gln971Glu)), which were inherited from asymptomatic parents and predicted to be damaging or probably damaging using in silico tools. Except p.Leu508*, all these mutations are located in tetratricopeptide repeat (TPR) domain. Our two female patients presented with seizures less than 1 month after birth, followed by clusters of spasms. Brain magnetic resonance imaging suggests dysgenesis of the corpus callosum and cerebellar hypoplasia. Video electroencephalogram showed suppression‐bursts. Through a literature review, we found 5 published papers reporting 48 patients with biallelic variants in GEMIN5. Eight of 48 patients have epilepsy, and 5 patients started before 1 year old, which reminds us of the relevance between GEMIN5 variants and EIDEE. Further analysis of the 49 GEMIN5 variants in those 50 patients demonstrated that variants in TPR‐like domain or RBS domain were more likely to be associated with epilepsy.ConclusionsWe found novel biallelic variants of GEMIN5 in two individuals with EIDEE and expanded the clinical phenotypes of GEMIN5 variants. It is suggested that the GEMIN5 gene should be added to the EIDEE gene panel to aid in the clinical diagnosis of EIDEE and to help determine patient prognosis.
LIZGAIRO: Improving learning experience through Scrum in telecommunications engineering curriculum
Authors: López‐Bravo Cristina , López‐Escobar Juan José , Fondo‐Ferreiro Pablo , Rodríguez Pérez Miguel , Gil‐Castiñeira Felipe 
Published: May 2024

AbstractThis article presents the LIZGAIRO project, which aims to promote students’ understanding of fundamental engineering concepts and their ability to apply them to solve real‐world problems through project‐based learning. The project was run over a 3‐year period, with students from the telecommunication degree at the Universidade de Vigo. The Scrum framework, an agile project management framework, was used to promote effective teamwork, active participation and ownership among students. The article describes the effectiveness of the project and its impact on students' learning success, delivered project quality and overall skills acquisition. After implementing LIZGAIRO, both teachers and students reported a positive impact on student learning, with high levels of essential skill acquisition and project quality. Although learning the framework fundamentals takes time for both teachers and students, the adaptability of Scrum and the use of continuous assessment were found to be beneficial.
Anti‐HBV Activities of Cembranoids from the South China Sea Soft Coral Sinularia pedunculata and Their Structure Activity Relationship
Authors: Huang Chao , Jin Yang , Sun Ruo‐Nan , Hu Kong‐Ying , Yao Li‐Gong , Guo Yue‐Wei , Yuan Zheng‐Hong , Li Xu‐Wen 
Published: May 2024

AbstractHepatitis B Virus (HBV) infection is a global public health challenge that seriously endangers human health. Soft coral, as a major source of terpenoids, contains many structurally novel and highly bioactive compounds. Sixteen cembranoids (1‐16), including a new one named sinupedunol B (16), were isolated from the South China Sea Soft coral Sinularia pedunculata. The structure of the sinupedunol B (16) was determined through a combination of spectroscopic analysis and X‐ray single‐crystal diffraction. In this study, cembranoids isolated from Sinularia pedunculata were found of anti‐HBV activity for the first time. Among them, flexilarin D (6) showed significant anti‐HBV activity with an IC50 value of 5.57 μM without cytotoxicity. We then analyzed the structure‐activity relationship (SAR). Furthermore, it is demonstrated that flexilarin D (6) can accelerate the formation of capsid, inhibit HBeAg, HBV core particle DNA, HBV total RNA and pregenomic RNA in a dose dependent manner. We also confirmed the anti‐HBV activity of 6 in HepG2‐NTCP infection system. Finally, we demonstrated the anti‐HBV mechanism of these compounds by inhibiting the ENI/Xp enhancer/promoter.
Kinetic Characterization and Identification of Key Active Site Residues of the L‐Aspartate N‐Hydroxylase, CreE
Authors: Johnson Sydney B. , Valentino Hannah , Sobrado Pablo 
Published: May 2024

AbstractCreE is a flavin‐dependent monooxygenase (FMO) that catalyzes three sequential nitrogen oxidation reactions of L‐aspartate to produce nitrosuccinate, contributing to the biosynthesis of the antimicrobial and antiproliferative nautral product, cremeomycin. This compound contains a highly reactive diazo functional group for which the reaction of CreE is essential to its formation. Nitro and diazo functional groups can serve as potent electrophiles, important in some challenging nucleophilic addition reactions. Formation of these reactive groups positions CreE as a promising candidate for biomedical and synthetic applications. Here, we present the catalytic mechanism of CreE and the identification of active site residues critical to binding L‐aspartate, aiding in future enzyme engineering efforts. Steady‐state analysis demonstrated that CreE is very specific for NADPH over NADH and performs a highly coupled reaction with L‐aspartate. Analysis of the rapid‐reaction kinetics showed that flavin reduction is very fast, along with the formation of the oxygenating species, the C4a−hydroperoxyflavin. The slowest step observed was the dehydration of the flavin. Structural analysis and site‐directed mutagenesis implicated T65, R291, and R440 in the binding L‐aspartate. The data presented describes the catalytic mechanism and the active site architecture of this unique FMO.
Cyclodextrin‐Induced Suppression of PEG Crystallization from the Melt in a PEG‐Peptide Conjugate
Authors: Hamley Ian W. , Castelletto Valeria , Hermida‐Merino Daniel , Rosenthal Martin 
Published: May 2024

AbstractThe influence of alpha‐cyclodextrin (αCD) on PEG crystallization is examined for a peptide‐PEG conjugate, YYKLVFF‐PEG3k comprising an amyloid peptide YYKLVFF linked to PEG with molar mass 3 kg mol−1. Remarkably, differential scanning calorimetry (DSC) and simultaneous synchrotron small‐angle/wide‐angle X‐ray scattering (SAXS/WAXS) show that crystallization of PEG is suppressed by αCD, provided that the cyclodextrin content is sufficient. A hexagonal mesophase is formed instead. The αCD threading reduces the conformational flexibility of PEG, and hence suppresses crystallization. These results show that addition of cyclodextrins can be used to tune the crystallization of peptide‐polymer conjugates and potentially other polymer/biomolecular hybrids.
7‐amino carboxycoumarin 2 inhibits lactate induced epithelial‐to‐mesenchymal transition via MPC1 in oral and breast cancer cells
Authors: Umar Sheikh Mohammad , Dev Arundhathi J. R. , Kashyap Akanksha , Rathee Meetu , Chauhan Shyam S. , Sharma Atul , Prasad Chandra Prakash 
Published: May 2024

AbstractLactate is an oncometabolite that play important role in tumor aggressiveness. Lactate from the tumor microenvironment (TME) is taken up by cancer cells as an energy resource via mitochondrial oxidative phosphorylation (or OXPHOS). In the present study, by using an online meta‐analysis tool we demonstrated that in oral squamous cancer cells (OSCCs) glycolytic and OXPHOS governing genes are overexpressed, like in breast cancer. For experimental demonstration, we treated the OSCC cell line (SCC4) and breast cancer cells (MDA‐MB‐231) with sodium L‐lactate and analyzed its effects on changes in EMT and migration. For the therapeutic intervention of lactate metabolism, we used AZD3965 (an MCT1 inhibitor), and 7ACC2 (an MPC inhibitor). Like breast cancer, oral cancer tissues showed increased transcripts of 12 genes that were previously shown to be associated with glycolysis and OXPHOS. We experimentally demonstrated that L‐lactate treatment induced mesenchymal markers and migration of cancer cells, which was significantly neutralized by MPC inhibitor that is, 7ACC2. Such an effect on EMT status was not observed with AZD3965. Furthermore, we showed that lactate treatment increases the MPC1 expression in both cancer cells, and this might be the reason why cancer cells in the high lactate environment are more sensitive to 7ACC2. Overall, our present findings demonstrate that extracellular lactate positively regulates the MPC1 protein expression in cancer cells, thereby putting forward the notion of using 7ACC2 as a potential therapeutic alternative to inhibit malignant oxidative cancers. Future preclinical studies are warranted to validate the present findings.
Porous Organic Polymers (POPs) Based on Acridone as Heterogeneous Photocatalysts for Oxidative Dimerization and Cyclocondensation Reactions
Authors: Tamuly Parag , Sahoo Ajay Kumar , Yadav Navin , Moorthy Jarugu Narasimha 
Published: May 2024

AbstractPorous organic polymers (POPs) are emergent tailor‐made materials, which can be accessed by covalent polymerization of diligently designed molecular building blocks in a bottom‐up fashion. Acridone, a well‐known chromophore that undergoes intersystem crossing (ISC) with near‐unity quantum yield akin to benzophenone, was structurally elaborated into a building block and subjected to Friedel‐Crafts polyalkylation to afford a series of POPs, namely, Ac‐MePOP, Ac‐OMePOP, and Ac‐CBPOP. These POPs exhibit remarkable porosity and significant absorption in the visible region. Of the three polymers, Ac‐CBPOP with the highest BET surface area of ca. 1027 m2/g is shown to serve as an excellent heterogeneous photocatalyst for visible light‐mediated oxidative transformations, that is, oxidative coupling of benzylamines to imines and cyclocondensation of o‐phenylenediamines with aldehydes to benzimidazoles under oxygen atmosphere. It is further shown that Ac‐CBPOP can be reused for several reaction cycles without any loss of catalytic activity with its stability intact. Mechanistic studies show that 1O2 serves as the key reactive oxygen species, formed by the energy transfer from Ac‐CBPOP to 3O2, in the photocatalytic oxidation reactions. The results demonstrate the development of stable photocatalytic POP materials with tailor‐made properties by a bottom‐up covalent polymerization of programmed molecular building blocks.
U(V) Stabilization via Aliovalent Incorporation of Ln(III) into Oxo‐salt Framework
Authors: Yu Yi , Hao Yucheng , Xiao Bin , Langer Eike , Novikov Sergei A. , Ramanantoanina Harry , Pidchenko Ivan , Schild Dieter , Albrecht‐Schoenzart Thomas E. , Eichel Rüdiger‐A. , Vitova Tonya , Alekseev Evgeny V. 
Published: May 2024

AbstractPentavalent uranium compounds are key components of uranium‘s redox chemistry and play important roles in environmental transport. Despite this, well‐characterized U(V) compounds are scarce primarily because of their instability with respect to disproportionation to U(IV) and U(VI). In this work, we provide an alternate route to incorporation of U(V) into a crystalline lattice where different oxidation states of uranium can be stabilized through the incorporation of secondary cations with different sizes and charges. We show that iriginite‐based crystalline layers allow for systematically replacing U(VI) with U(V) through aliovalent substitution of 2+ alkaline‐earth or 3+ rare‐earth cations as dopant ions under high‐temperature conditions, specifically Ca(UVIO2)W4O14 and Ln(UVO2)W4O14 (Ln=Nd, Sm, Eu, Gd, Yb). Evidence for the existence of U(V) and U(VI) is supported by single‐crystal X‐ray diffraction, high energy resolution X‐ray absorption near edge structure, X‐ray photoelectron spectroscopy, and optical absorption spectroscopy. In contrast with other reported U(V) materials, the U(V) single crystals obtained using this route are relatively large (several centimeters) and easily reproducible, and thus provide a substantial improvement in the facile synthesis and stabilization of U(V).
Fault diagnosis for blast furnace ironmaking process based on randomized local fisher discriminant analysis
Authors: Zhou Jiawei , Wu Ping , Ye Hejun , Song Yunpeng , Wu Xianbao , He Yuchen , Pan Haipeng 
Published: May 2024

AbstractFault diagnosis plays a vital role in ensuring the operation safety of blast furnaces and improving the quality of molten iron in the ironmaking and steelmaking industry. The blast furnace ironmaking process (BFIP) is intrinsically nonlinear. To address the nonlinearity issue of BFIP, a novel fault diagnosis approach that combines the randomized method, local structure information, and Fisher discriminant analysis is proposed in this paper. Using a randomized feature map, the process data is first mapped onto a randomized explicit low‐dimensional feature space. Compared to kernel methods, explicit low‐dimensional random Fourier features considerably reduce the computational cost, particularly for real‐time fault diagnosis for a large training dataset or a large‐scale process. Additionally, the local structure information contained in the randomized low‐dimensional feature space is extracted. The fault diagnosis performance is improved through the exploration of the local structure of random Fourier features. Finally, the blast furnace iron‐marking process state is determined using Bayesian inference. Case studies on a real‐world BFIP are carried out to demonstrate the superior performance of the proposed method in comparison with other related methods.
New PID parameter tuning based on improved dung beetle optimization algorithm
Authors: Hu Chonggao , Wu Feng , Zou Hongbo 
Published: May 2024

AbstractIn this paper, a proportional‐integral‐derivative (PID) controller parameter optimization method based on the improved dung beetle optimization (IDBO) algorithm is proposed, which improves the balance between the global exploration and local exploitation capabilities of the dung beetle optimization (DBO) and significantly enhances the convergence speed and optimization accuracy. Initially, the dung beetle population is initialized using piecewise linear chaotic map (PWLCM) chaotic mapping in order to increase its variety and the DBO algorithm's capacity for global exploration. Furthermore, adaptive weighting in the DBO algorithm is now balanced between the capabilities of local exploitation and global exploration with the addition of adaptive weights. After that, in order to improve the DBO algorithm's capacity for local exploitation, a triangle wandering strategy is included during the dung beetle reproductive phase. Finally, using both Lévy flying wandering and greedy strategy (GS) together make it easier to take advantage of opportunities in both local and global areas. The outcomes of the traditional benchmark function test demonstrate a significant improvement in both convergence speed and optimization accuracy when the particle swarm optimization (PSO), DBO, grey wolf optimization (GWO), and sparrow search algorithm (SSA) algorithms are compared. The performance index function incorporates an overshooting penalty term to prevent the overshooting phenomenon in the control system. Simulation experiments are carried out for the DC motor control system, and the time domain performance, frequency domain performance, and robustness performance of the closed‐loop control system with ZN‐PID, Lambda‐PID, PSO‐PID, and IDBO‐PID rectified PID controller parameters are comparatively analyzed, which verifies the validity and practicability of the IDBO algorithm.
Copper‐Mediated Selective Multiple Inert Chemical Bonds Cleavage for Cyanation of Indoles via Tandem Carbon and Nitrogen Atom Transfer
Authors: Xie Shimin , Cai Fangfang , Liu Lixin , Su Lebin , Dong Jianyu , Zhou Yongbo 
Published: May 2024

Comprehensive SummaryThe activation of inert chemical bonds is an exciting area of research in chemistry because it enables the direct utilization of readily available starting materials and promotes atom‐ and step‐economic synthesis. Undoubtedly, selectively activating and transforming multiple inert chemical bonds is an even more intriguing and demanding task in synthetic chemistry. However, due to its inherent complexity and extreme challenges, this endeavour is rarely accomplished. We report a copper‐mediated complete cleavage and selective transformation of multiple inert chemical bonds of three easily available feedstocks, i.e., a sp2C—H bond in indoles, three sp3C—H bonds and one C—N bond in a methyl carbon atom in TMEDA, and the C≡N triple bond in CH3CN. This reaction proceeds via tandem carbon and nitrogen atom transfer, and allows for the direct and efficient cyanation of indoles, presenting a simple and direct alternative for synthesizing 3‐cyanoindoles.