bluuebunny/crossref_metadata_2025_split huggingface dataset:
Copper Complexes with Protein‐Based N‐Donor Ligands as cis‐Selective Nascent Cyclopropanases
Authors: Fujieda Nobutaka , Matsuo Atsuki , Itoh Shinobu 
Published: September 2024

AbstractIn this study, we aimed to develop protein‐based metal ligands to catalyze cis‐selective cyclopropanation using the TM1459 cupin protein superfamily. Copper complexes with TM1459 mutants containing the 3‐His metal‐binding site exhibited excellent diastereoselectivity in cyclopropanation reactions with styrene and ethyl diazoacetate. Further mutations in the secondary coordination sphere increased the cis‐preference with t‐butyl diazoacetate as the substrate with up to 80 : 20 (cis:trans ratio) and high enantioselectivity (90 % ee).
Spectroscopic Properties and Reactivity of a MnIII‐Hydroperoxo Complex that is Stable at Room Temperature
Authors: Grotemeyer Elizabeth N. , Aghaei Zahra , Jackson Timothy A. 
Published: September 2024

AbstractManganese catalysts that activate hydrogen peroxide have seen increased use in organic transformations, such as olefin epoxidation and alkane C−H bond oxidation. Proposed mechanisms for these catalysts involve the formation and activation of MnIII‐hydroperoxo intermediates. Examples of well‐defined MnIII‐hydroperoxo complexes are rare, and the properties of these species are often inferred from MnIII‐alkylperoxo analogues. In this study, we show that the reaction of the MnIII‐hydroxo complex [MnIII(OH)(6Medpaq)]+ (1) with hydrogen peroxide and acid results in the formation of a dark‐green MnIII‐hydroperoxo species [MnIII(OOH)(6Medpaq)]+ (2). The formulation of 2 is based on electronic absorption, 1H NMR, IR, and ESI‐MS data. The thermal decay of 2 follows a first order process, and variable‐temperature kinetic studies of the decay of 2 yielded activation parameters that could be compared with those of a MnIII‐alkylperoxo analogue. Complex 2 reacts with the hydrogen‐atom donor TEMPOH two‐fold faster than the MnIII‐hydroxo complex 1. Complex 2 also oxidizes PPh3, and this MnIII‐hydroperoxo species is 600‐fold more reactive with this substrate than its MnIII‐alkylperoxo analogue [MnIII(OOtBu)(6Medpaq)]+. DFT and time‐dependent (TD) DFT computations are used to compare the electronic structure of 2 with similar MnIII‐hydroperoxo and MnIII‐alkylperoxo complexes.
Factors Affecting Liquid‐Liquid Phase Separation of RGG Peptides with DNA G‐Quadruplex
Authors: Shil Sumit , Tsuruta Mitsuki , Kawauchi Keiko , Miyoshi Daisuke 
Published: September 2024

AbstractLiquid‐liquid phase separation (LLPS), mediated by G‐quadruplexes (G4 s) and intrinsically disordered proteins, particularly those containing RGG domains, plays a critical role in cellular processes and diseases. However, the molecular mechanism and the role of individual amino acid residues of the protein in LLPS with G4 (G4‐LLPS) are still unknown. Here, we systematically designed peptides and investigated the roles of arginine residues in G4‐LLPS. It was found that the FMRP‐derived RGG peptide induced LLPS with G4‐forming Myc‐DNA, whereas a point‐mutated peptide, in which all arginine residues were replaced with lysine, was unable to undergo LLPS, indicating the importance of arginine residues. Moreover, systematically truncated peptides showed that at least five positive net charges of peptide are required to induce G4‐LLPS. Furthermore, quantitative investigation demonstrated that the higher binding affinity of peptides with G4 led to a higher LLPS ability, whereas threshold of the binding affinity for undergoing LLPS was identified. These insights elucidate the pivotal role of arginine in G4‐LLPS and the specific requirement for multiple arginine residues, contributing to a deeper understanding of the complex interplay between intrinsically disordered proteins and nucleic acids.
On the wave turbulence theory of 2D gravity waves, I: Deterministic energy estimates
Authors: Deng Yu , Ionescu Alexandru D. , Pusateri Fabio 
Published: September 2024

AbstractOur goal in this paper is to initiate the rigorous investigation of wave turbulence and derivation of wave kinetic equations (WKEs) for water waves models. This problem has received intense attention in recent years in the context of semilinear models, such as Schrödinger equations or multidimensional KdV‐type equations. However, our situation here is different since the water waves equations are quasilinear and solutions cannot be constructed by iteration of the Duhamel formula due to unavoidable derivative loss. This is the first of two papers in which we design a new strategy to address this issue. We investigate solutions of the gravity water waves system in two dimensions. In the irrotational case, this system can be reduced to an evolution equation on the one‐dimensional interface, which is a large torus of size . Our first main result is a deterministic energy inequality, which provides control of (possibly large) Sobolev norms of solutions for long times, under the condition that a certain ‐type norm is small. This energy inequality is of “quintic” type: if the norm is , then the increment of the high‐order energies is controlled for times of the order , consistent with the approximate quartic integrability of the system. In the second paper in this sequence, we will show how to use this energy estimate and a propagation of randomness argument to prove a probabilistic regularity result up to times of the order , in a suitable scaling regime relating and . For our second main result, we combine the quintic energy inequality with a bootstrap argument using a suitable ‐norm of Strichartz‐type to prove that deterministic solutions with Sobolev data of size are regular for times of the order . In particular, on the real line, solutions exist for times of order . This improves substantially on all the earlier extended lifespan results for 2D gravity water waves with small Sobolev data.
Pharmacokinetics and Bioequivalence of a Generic Ticagrelor 90‐mg Formulation Versus the Innovator Product in Healthy White Subjects Under Fasting Conditions
Authors: Rizea‐Savu Simona , Duna Simona Nicoleta , Ghita Adrian , Iordachescu Adriana , Garlea Ioana , Chirila Marinela 
Published: September 2024

AbstractTicagrelor is a key antiplatelet agent used to prevent thrombotic events in patients with acute coronary syndrome. This open‐label, 2‐period, crossover Phase I study assessed the pharmacokinetics and bioequivalence of a generic ticagrelor 90‐mg formulation compared to the innovator product under fasting conditions. Twenty‐eight healthy White adults participated in the study. Each participant received a single dose of either the test or reference formulation, followed by a 7‐day washout period before switching to the alternate formulation. Plasma concentrations of ticagrelor were measured using a validated high‐performance liquid chromatography‐tandem mass spectrometry method. Statistical analysis of primary pharmacokinetic parameters, including maximum concentration and area under the plasma concentration‐time curve from time 0 to the last quantifiable concentration, showed bioequivalence with test/reference ratios of 110.9% and 107.1%, respectively, and 90% confidence intervals within the 80%‐125% regulatory range. Treatment‐emergent adverse events, such as headache, dysphagia, and dizziness, were moderate and transient and resolved promptly, with no significant difference in incidence between the formulations. These results confirm that the generic ticagrelor formulation is bioequivalent to the innovator product, supporting its use as an interchangeable option in clinical practice.
Applications of blockchain technology in privacy preserving and data security for real time (data) applications
Authors: Deshmukh Sushama A. , Kasar Smita 
Published: September 2024

SummaryBlockchain (BC) technology has been incorporated into the infrastructure of different kinds of applications that require transparency, reliability, security, and traceability. However, the BC still has privacy issues because of the possibility of privacy leaks when using publicly accessible transaction information, even with the security features offered by BCs. Specifically, certain BCs are implementing security mechanisms to address data privacy to prevent privacy issues, facilitates attack‐resistant digital data sharing and storage platforms. Hence, this proposed review aims to give a comprehensive overview of BC technology, to shed light on security issues related to BC, and to emphasize the privacy requirements for existing applications. Many proposed BC applications in asset distribution, data security, the financial industry, the Internet of Things, the healthcare sector, and AI have been explored in this article. It presents necessary background knowledge about BC and privacy strategies for obtaining these security features as part of the evaluation. This survey is expected to assist readers in acquiring a complete understanding of BC security and privacy in terms of approaches, ideas, attributes, and systems. Subsequently, the review presents the findings of different BC works, illustrating several efforts that tackled privacy and security issues. Further, the review offers a positive strategy for the previously described integration of BC for security applications, emphasizing its possible significant gaps and potential future development to promote BC research in the future.
Phosphonate‐Substituted Pyrazinoporphyrin – a General Photocatalyst for Efficient Sulfoxidation
Authors: Polivanovskaia Daria A. , Abdulaeva Inna A. , Birin Kirill P. , Gorbunova Yulia G. , Tsivadze Aslan Yu. 
Published: September 2024

AbstractAn exceptional efficiency of pyrazine‐annelated porphyrin as a general photocatalyst for the oxidation of organic sulfides is demonstrated. It is shown that phosphonate‐substituted pyrazinoporphyrin 2H‐1 brings together sufficient photostability and high efficiency in the aerobic photooxidation of a series of various sulfides. The influence of the reaction conditions onto the efficiency of homogeneous sulfide photooxidation in the presence of the photosensitizer (PS) was investigated and strong dependence on the solvent system was observed. The use of methanol is required for the photocatalytic sulfoxidation and the ratio of the alcohol/other solvent can significantly affect the conversion and selectivity of the reaction. The application of the prepared PS in 0.001 mol % loading allowed achieving complete conversion (97–100 %, turnover number up to 1,00,000, turnover frequency up to 6250 h−1) of substrates bearing substituents of different nature, namely aromatic and aliphatic sulfides with donor or acceptor substituents and substituents prone to oxidation, as well as cyclic sulfides. The selectivity of the of the corresponding sulfoxides formation of 96–100 % was revealed. Finally, a gram‐scale synthesis of several sulfoxides was successfully performed with the PS under investigation, providing desired products in 66–96 % yield with over 98 % purity.
SG12 regulates grain size by affecting cell proliferation in rice
Authors: Hu Li , Zeng Jierui , Diao Xue , Zhong Yutong , Zhou Xiaorong , Wang Hao , Hu Xiaoling , Yuan Hua 
Published: September 2024

AbstractThe grain size of rice (Oryza sativa) plays a pivotal role in determining yield. It is crucial to explore the genes related to grain size and analyze their molecular mechanisms to enhance rice yield further. This study identified a small‐grain mutant small grain 12 (sg12), from the ethyl methanesulfonate‐induced mutant library of Shuhui 498, a backbone parent of heavy‐panicle hybrid rice. We found that sg12 rice mutant exhibits a decrease in grain size and 1000‐grain weight, but an increase in grain number per panicle. Genetic analysis indicated that the small grain of sg12 is controlled by a pair of semi‐dominant genes. Furthermore, cytological analysis showed that the number of longitudinal cells in the spikelet hull of sg12 decreased, indicating that SG12 regulates grain size by affecting cell proliferation. In this study, we also identified a candidate gene of SG12 as OsPPKL3, which encodes a putative protein phosphatase with Kelch‐like repeat domains. A single‐nucleotide polymorphism substitution (G/A) occurred in the conserved Kelch domain of OsPPKL3 in the sg12, resulting in the mutation of the 176th amino acid from Ala to Thr, and this amino acid substitution led to significant differences in the three‐dimensional structure of the OsPPKL3 protein. Finally, genetic analysis indicated that OsPPKL3 regulates grain size independent of Oryza sativa BRI1‐associated receptor kinase 1 (OsBAK1) and Oryza sativa Brassinosteroid‐signaling kinase 2 (OsBSK2). Overall, this study identified a new allelic mutant of OsPPKL3, clarified the cytological basis of OsPPKL3 regulating grain size, and emphasized the crucial role of the 176th amino acid in the Kelch domain of OsPPKL3 for its biological function. Our results provided important resources for further studying the molecular mechanisms of OsPPKL3 regulating grain size in rice.
Risk of nutrient leaching following over‐irrigation of two warm‐season turfgrasses with recycled water
Authors: McLoughlin Patrick H. , Sierra Augustinus I. Alejandra , Arevalo Alvarenga A. Fernanda , Schiavon Marco 
Published: September 2024

AbstractRecent climatic shifts have driven increased demand for recycled water as an irrigation source, with many counties in Florida imposing sanctions on irrigation allowances for lawns. Given these sanctions, there is a need to understand the ways this resource may amplify problems due to common lawn care malpractices that still occur, such as overwatering. A greenhouse study was conducted at the UF/IFAS Fort Lauderdale Research and Education Center in the spring of 2022 and 2023 to better understand how recycled water irrigation interacts with granular fertilizer applications on nutrient leaching and performance of “CitraBlue” St. Augustinegrass (Stenotaphrum secundatum [Walter] Kuntze) and “Celebration” bermudagrass (Cynodon dactylon [L.] Pers). Turfgrass was grown within lysimeters filled with Mason sand, fertilized at 49 kg N ha−2 with controlled release (42–0–0) fertilizer or unfertilized, and irrigated with either recycled or potable water. Recycled water was found to significantly increase the amount of orthophosphate in leachate (∼2×) among both grass species in both years, as well as amount of nitrate in leachate (∼4×) from St. Augustinegrass. Bermudagrass systems leached more nitrate based on either fertilizer applications or water source depending on the year. Ammonium leaching was positively influenced by water source among both grass species, with recycled water inducing the most presence of ammonium in bermudagrass. Water source was the main driver of cumulative nutrient presence in the leachate across species. Overuse of recycled water irrigation, despite not affecting turfgrass performance, was markedly associated with increased nutrient levels in the leachate.
Health literacy, but not memory, is associated with hippocampal connectivity in adults with low levels of formal education
Authors: de Paula França Resende Elisa , Lara Vivian P. , Santiago Ana Luisa C. , Friedlaender Clarisse V. , Rosen Howard J. , Brown Jesse A. , Cobigo Yann , Silva Lênio L. G. , Cruz de Souza Leonardo , Rincon Luciana , Grinberg Lea T. , Maciel Francisca I. P. , Caramelli Paulo 
Published: September 2024

AbstractINTRODUCTIONThe influence of hippocampal connectivity on memory performance is well established in individuals with high educational attainment. However, the role of hippocampal connectivity in illiterate populations remains poorly understood.METHODSThirty‐five illiterate adults were administered a literacy assessment (Test of Functional Health Literacy in Adults [TOFHLA]), structural and resting state functional magnetic resonance imaging, and an episodic memory test (Free and Cued Selective Reminding Test). Illiteracy was defined as a TOFHLA score < 53. We evaluated the correlation between hippocampal connectivity at rest and both free recall and literacy scores.RESULTSParticipants were mostly female (57.1%) and self‐declared as being Black individuals (84.8%), with a median age of 50 years. The median TOFHLA literacy score was 28.0 [21.0; 42.5] out of 100 points and the median free recall score was 30.0 [26.2; 35] out of 48 points. The median gray matter volume of both the left and right hippocampi was 2.3 [2.1; 2.4] cm3. We observed a significant connectivity between both hippocampi and the precuneus and the ventral medial prefrontal cortex. The right hippocampal connectivity positively correlated with the literacy scores (β = 0.58, P = 0.008). There was no significant association between episodic memory and hippocampal connectivity. Neither memory nor literacy scores correlated with hippocampal gray matter volume.DISCUSSIONLow literacy levels correlated with hippocampal connectivity in illiterate adults. The lack of association with memory scores might be associated with low brain reserve in this sample.Highlights
A significant link was found between health literacy and hippocampal connectivity.
Enhanced hippocampus– ventromedial prefrontal cortex connectivity suggests potential cognitive reserve improvement.
Higher cognitive reserve may protect against hippocampal atrophy and neurodegeneration.
Health literacy improvements could help prevent cognitive impairment in illiterate populations.
Study highlights importance of considering structural racism in brain connectivity research.
Ecological, genetic and geographical divergence explain differences in colouration among sunbird species (Nectariniidae)
Authors: Nicolaï M. P. J. , Rogalla S. , Yousefi M. , Bowie R. C. K. , D'Alba L. , Shawkey M. D. 
Published: September 2024

AbstractHow extravagant ornamental traits evolve is a key question in evolutionary biology. Bird plumages are among the most elaborate ornaments, displaying almost all colours of the rainbow. Why and how birds evolved to be so colourful remains an open question with multiple and sometimes competing hypotheses. Different colours in different patches (i.e. body parts) might have different functions and thus result from different forms of selection (e.g. natural vs. sexual selection). Here we test the influence of three factors on colour diversity in sunbirds: (1) geographical distance, (2) differences in light environment and (3) phylogenetic distances. We show that both natural and sexual selection affect the evolution of sunbird colouration, but that their extent and direction differs between sexes, and varies with the extent of species overlap and across different patches on the body. Even though overlap in light environment partially explains colour differences among species, no colour metric (brightness, hue or chroma) covaries with light environment. Our results suggest that multiple forms of selection influence the colouration of different colour patches in different ways across an organism's body, highlighting the need to investigate colouration as a network of individual but inter‐connected colour patches. These results are likely to be generalizable across the multitude of colourful animals.
Hookworm prevalence in ocelots in Costa Rica is inconsistent with spillover from domestic dogs despite high overlap
Authors: Vargas Soto Juan S. , Gostic Katelyn M. , Melnycky Natalka A. , Johnson Julianna G. , Dobson Andrew P. , Lafferty Kevin D. , Standley Claire J. , Molnár Péter K. 
Published: September 2024

AbstractSpatial overlap between wildlife and related domestic animals can lead to disease transmission, with substantial evidence for viral and bacterial spillover. Domestic and wild animals can also share potentially harmful helminth parasites, many of which have environmental transmission stages that do not require direct contact between hosts. We used camera traps, fecal sampling, and mathematical modeling to evaluate the potential for hookworm parasites to spillover from domestic dogs to wild cats in the Osa Peninsula, Costa Rica. Traditional microscopy was found to be more sensitive than DNA‐based diagnostics for parasites, though the methods were complementary. We found high hookworm (Ancylostoma spp.) prevalence in domestic dogs (74.2%, 95% CI: 67.0%–80.7%, N = 155), and considerable spatial overlap with ocelots (Leopardus pardalis) and pumas (Puma concolor), particularly on trails and dirt roads. Pumas had hookworm prevalence of 36.4% (18.6%–57.2%, N = 22), and ocelots had 27.3% (7.6%–56.5%, N = 11); however, molecular identification of these parasites was inconclusive. We developed a macroparasite transmission model to infer the likelihood of spillover, compared with separate parasite cycles, or different parasite species in each host. According to the model, spillover of hookworm from dogs would lead to a prevalence of less than 10% in wild hosts. Low presumed compatibility between wild hosts and parasites adapted to domestic species limits the prevalence that could be reached in wild species, even under potentially higher overlap. The prevalence observed was more consistent with a model that assumes hookworms in wild cats in the Osa are a cat‐specific parasite. The combination of parasitology, molecular diagnostics, and mathematical modeling used here could complement wildlife disease monitoring programs worldwide to shed light on understudied helminth–host dynamics at the domestic–wild animal interface.
Meta‐analysis of sotagliflozin, a dual sodium‐glucose‐cotransporter 1/2 inhibitor, for heart failure in type 2 diabetes
Authors: Bantounou Maria Anna , Sardellis Panagiotis , Plascevic Josip , Awaes‐Mahmood Ribeya , Kaczmarek Justyna , Black Boada Daniel , Thuemmler Rosa , Philip Sam 
Published: September 2024

AbstractSodium‐glucose co‐transporters (SGLTs) mediate sodium and glucose transport across cell membranes. SGLT2 inhibitors have a recognized place within heart failure (HF) guidelines. We evaluated the effect of sotagliflozin on HF and cardiovascular outcomes in participants with type 2 diabetes. Scopus, Medline, Embase and Central were searched from inception until 2 June 2023. Randomized controlled trials evaluating sotagliflozin in type 2 diabetes participants and reporting HF events were selected. Major adverse cardiovascular events (MACE) and systolic blood pressure were evaluated. The Cochrane risk of bias tool (RoB 2.0) was used. Pooled mean difference (MD), relative risk (RR), 95% confidence intervals and the number needed to treat (NNT) were estimated (PROSPERO: CRD42023432732). We selected nine studies (n = 15 320 participants: n = 8040 intervention and n = 7280 control). The median follow‐up was 13.4 months (Q1 = 13, Q3 = 21). One study recruited participants with HF at baseline. After a follow‐up of >52 weeks, sotagliflozin significantly reduced the risk of HF [n = 8 studies; RR = 0.66 (0.64, 0.69)], stroke [n = 6 studies; RR = 0.75 (0.58, 0.97)] and MACE [n = 8 studies; RR = 0.73 (0.66, 0.81)]. The NNT was 20 and 26 for HF and MACE, respectively. Sotagliflozin lowered systolic blood pressure [n = 7; MD = −2.38 mmHg (−2.79, −1.97)]. No dose‐dependent effect was identified for HF [200 mg: RR = 0.38 (0.16, 0.89), 400 mg: RR = 0.57 (0.39, 0.85), P‐value = 0.22]. The high risk of bias was a limitation of this review. Sotagliflozin reduced HF and cardiovascular events in type 2 diabetes participants. Research exploring its effects in HF and comparisons with SGLT2 inhibitors is warranted to determine if dual SGLT inhibition surpasses selective inhibition.