bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural Revision and Total Synthesis of Primarolides A and B via Massarinin A as a Common Precursor – Discovery of a Surprising 1,4‐Aryl Shift
Authors: Schwamborn Marvin , Stremmel Linus , Neudörfl Jörg‐Martin , Schmalz Hans‐Günther 
Published: February 2025

AbstractTo probe the possible non‐enzymatic formation of the polyketidic fungal metabolites primarolides A and B, the supposed 2‐formyl‐benzophenone precursor was prepared by chemical synthesis exploiting an anionic homo‐Fries rearrangement to set up the highly substituted benzophenone unit. Conversion of this compound into the putative primarolides (i. e. the isomeric phthalide and the corresponding N‐phenyl‐isoindolinone) revealed that the proposed structures had to be revised. Subsequently, the natural product massarinin A, which displays a similar 2‐formyl‐benzophenone substructure, was synthesized following a related strategy. Treatment of massarinin A with Sc(OTf)3 or cyanide as a nucleophilic catalyst unexpectedly proceeded under 1,4‐aryl migration to afford primarolide A. In contrast, reaction of massarinin A with aniline gave rise to primarolide B without aryl shift. All structural assignments were confirmed by X‐ray crystal analysis and the proposed mechanism of the skeletal rearrangement was supported by 13C labeling. The study not only led to the total synthesis and structural revision of the primarolides but also supports the hypothesis of their non‐enzymatic formation as racemates under the reported fermentation conditions, with the added suberoylanilide hydroxamic acid (SAHA) likely serving as the source of aniline.
Structural, Physicochemical, and Biological Insights into Novel (Acetylacetonate)(Oxydiacetato)Oxidovanadium(IV) Complexes with N‐Containing Aromatic Compounds
Authors: Chmur Katarzyna , Brzeski Jakub , Reghukmar Swathy , Tesmar Aleksandra , Sikorski Artur , Inkielewicz‐Stępniak Iwona , Wyrzykowski Dariusz 
Published: February 2025

AbstractThe crystal structures of three novel oxidovanadium(IV) salts containing the [VO(acac)(oda)]− anion (acac=acetylacetonate, oda=oxydiacetate) and quinolinium ([QH]+), isoquinolinium ([(isoQ)H+) and acridinium ([(acr)H+)] counterions, of molecular formulas [QH][VO(acac)(oda)] (1), [(isoQ)H][VO(acac)(oda)](H2O) (2) and [(acr)H][VO(acac)(oda)](H2O)2 (3) are reported. Notably, these complexes represent the first structurally characterized salts comprising the heteroligand [VO(acac)(oda)]− complex anion. A comprehensive physicochemical characterization of the complexes in both solid state and solution is provided, with general discussions on the role of nitrogen‐containing heterocyclic compounds on the structure of the resulting ternary oxidovanadium(IV) complexes. The experimental results were complemented by density functional theory (DFT) calculations to evaluate possible ligand conformations in the coordination sphere of V(IV). In addition, the nature of the bonds involved in the chelation of the vanadium(IV) cation is considered and a detailed assessment of the electron spin density is presented. Finally, the cytotoxic activity of the compounds was tested against breast (MDA‐MB‐231 and MCF‐7) cancer cell lines to assess their potential use as chemotherapeutic agents in cancer therapy.
Characterization of the Porcine Cingulate Sulcus Cytoarchitecture
Authors: Hoffe Brendan , Hebert Lisa , Petel Oren E. , Holahan Matthew R. 
Published: February 2025

ABSTRACTCortical folding (gyrification) is a unique process by which the brain can expand and increase surface area while confined by the boundaries of the inner wall of the skull. Although there is still much debate about the exact mechanisms concerning the genetic and cellular factors involved in this process, gyrification results in a heterogenous organization of neuronal layering and cell types not seen in the smooth, lissencephalic brain of rodents. In this article, we describe differences in neuronal density and supporting cells within the depths (fundus) and adjacent walls of the cingulate sulcus of the porcine brain. We also measured the distance between pyramidal neurons within Layers III and V to investigate if the observed increase in density of neurons within the cingulate fundus is associated with a decrease in distance between neurons in these layers. We also identify the presence of the gigantopyramidal neuron within the fundus of the porcine cingulate sulcus, a pyramidal neuron subtype seen in nonhuman primates and human brains. Taken together, this article provides evidence that further supports the heterogeneous composition of the gyrified brain by describing the cellular organization of the porcine cingulate sulcus.
Scope and Limitations of the Use of Methanesulfonic Acid (MSA) as a Green Acid for Global Deprotection in Solid‐Phase Peptide Synthesis
Authors: Vivenzio Giovanni , Noki Sikabwe , Chakraborty Amit , Lopez John , de la Torre Beatriz G , Albericio Fernando 
Published: February 2025

AbstractN,N‐dimethylformamide (DMF) and trifluoroacetic acid (TFA) are the two solvents/reagents most widely used in solid‐phase peptide synthesis (SPPS). While DMF is already regulated in Europe, TFA – a member of the polyfluoroalkyl substances (PFAS) family – is expected to face similar restrictions soon. These compounds break down slowly and pose risks to human health and the environment. Herein, the use of the so‐called “green acid par excellence”, methanesulfonic acid (MSA), in substitution of TFA is discussed. As MSA is stronger than TFA, it is diluted with a solvent for use. The effectivity of MSA depends on the solvents used. When dichloromethane (DCM) is used, 1.5 % MSA removes all side‐chain protecting groups, except the trityl (Trt) group of His. In the presence of acetic acid (AcOH) and dimethylcarbonate (DMC), more concentrated solutions of MSA (8–16 %) are required. The removal of the Trt group of Asn/Gln continues to be a challenge even with these solutions, and aspartimide formation can occur in Asp‐containing peptides.
Regioselective Synthesis of n‐Nonanal and Aldehyde‐Containing Polysiloxanes via Rh‐Catalyzed Hydroformylation Enhanced by A New Silicon‐Tethered Multidentate Phosphine Ligand
Authors: Tian Shu‐Yuan , Shi Lin , Zhu Jun‐Hui , Li Li , Ye Fei , Xu Zheng , Xu Li‐Wen 
Published: February 2025

AbstractCatalytic synthesis of long‐chain alkyl aldehydes presents a significant challenge in homogeneous catalysis and organic synthesis due to the difficulty in regioselective control. Here we report a rhodium‐catalyzed high chemo‐ and regio‐selective hydroformylation of 1‐octene that would be highly useful intermediates in chemical industry. Notably, the easy made tetradentate P‐ligands L1 and L2 can effectively suppress hydrogenation and isomerization reaction of olefins and give the desired aldehydes in high yield and good regioselectivity. Control experiments reveal the tetradentate P‐ligands is important for controlling selectivity because the high regioselectivity is found to benefit from the presence of four phosphorus atoms manifesting in the formation of much more efficient coordination interactions to give relatively stable rhodium complexes.
Synthesis of Vinyl Boronates from Aldehydes and Ketones by Peterson Olefination: Investigation of the Peterson/Boron‐Wittig Chemoselectivity
Authors: Janssens Julien , Berionni Guillaume , Robiette Raphaël 
Published: February 2025

AbstractWe report our results on the development of the Peterson olefination using gem‐borylsilylmethane derivatives to synthesize di‐ and tri‐substituted vinyl boronates. We show that the electronic properties of the carbonyl partner have no effect on the Peterson/boron‐Wittig chemoselectivity whereas the nature of the silane group plays an important role. A DFT study helps explain observed reactivity, chemoselectivity and stereoseletivity
Impacts of Goat Horn/Ammonium Polyphosphate on Mechanical and Thermal Properties of Epoxy Composites
Authors: Parkunam N. , Gopal P. , Navaneethakrishnan G. , Palanisamy R. , Arputharaj Beena Stanislaus , Ahamed Saleel C. , Al‐Mdallal Qasem M. 
Published: February 2025

ABSTRACTIn this paper, the ammonium polyphosphate (APP) is mixed with epoxy to fabricate APP/epoxy goat horn composites. The composites were obtained by casting method with different weight ratios of APP of 0%, 10%, 15%, and 20% for improving the mechanical and thermal properties. This is the first paper to discuss about both mechanical and thermal properties of APP/epoxy goat horn composites. The mechanical properties were evaluated by tensile test and wear test. For the goat horn composites with a content of 20 wt% of APP, the tensile strength was 30 MPa, shows that adding APP led to composites having a better tensile strength. From limiting oxygen index test results, it is clear that goat horn composite is fire retardant, and that the fire‐retardant value improves with the addition of APP up to a weight ratio of 15% APP. The thermogravimetric analysis (TGA) reveals that the degradation of composites in relation to temperature. From the TGA analysis, the bio composites without APP gives the better results comparing with incorporation of APP in composites up to 40% of weight loss. At the same time, the 50% of weight loss occur at the degradation temperature of around 380°C for 20 wt% of APP composites. It shows the addition of APP improves the thermal stability of the composites. The ignition time from the horizontal flammability test of the composites of 0, 10, 15, and 20 wt% APP were 20, 22, 24, and 25 (in s) respectively. It shows that the addition of filler material into the composites, the ignition time also increases. The water absorption percentage was peak at 15% of APP and lower at 10% of APP. All the samples were saturated after 80 h. The lower percentage of water absorption in composites can be attributed to the improved interfacial bonding between the fibers and matrix. From scanning electron microscopy (SEM) analysis the morphological structure and dispersion of ammonium polyphosphate and goat horn particles in epoxy bio composites were studied.
Predicting Energy Budgets in Droplet Dynamics: A Recurrent Neural Network Approach
Authors: de Aguiar Diego A. , França Hugo L. , Oishi Cassio M. 
Published: February 2025

ABSTRACTThe application of neural network‐based modeling presents an efficient approach for exploring complex fluid dynamics, including droplet flow. In this study, we employ Long Short‐Term Memory (LSTM) neural networks to predict energy budgets in droplet dynamics under surface tension effects. Two scenarios are explored: Droplets of various initial shapes impacting on a solid surface and collision of droplets. Using dimensionless numbers and droplet diameter time series data from numerical simulations, LSTM accurately predicts kinetic, dissipative, and surface energy trends at various Reynolds and Weber numbers. Numerical simulations are conducted through an in‐house front‐tracking code integrated with a finite‐difference framework, enhanced by a particle extraction technique for interface acquisition from experimental images. Moreover, a two‐stage sequential neural network is introduced to predict energy metrics and subsequently estimate static parameters such as Reynolds and Weber numbers. Although validated primarily on simulation data, the methodology demonstrates the potential for extension to experimental datasets. This approach offers valuable insights for applications such as inkjet printing, combustion engines, and other systems where energy budgets and dissipation rates are important. The study also highlights the importance of machine learning strategies for advancing the analysis of droplet dynamics in combination with numerical and/or experimental data.
Early Detection and Central Nervous System Prophylaxis in Patients With High‐Risk Features of Primary Lymphoma of the Female Genital Tract: The Key to Improved Prognosis
Authors: Wang Bingyi , Lu Yaxiao , Zhao Jing , Li Lanfang , Qiu Lihua , Qian Zhengzi , Zhou Shiyong , Wang Xianhuo , Zhang Huilai 
Published: February 2025

ABSTRACTPrimary lymphoma of the female genital tract (PLFGT) is a rare disease. The incidence is gradually increasing each year. There have been few reports about PLFGT, and most of them have involved individual cases and small‐sample retrospective analyses. The pathogenesis of PLFGT is still under exploration and may be associated with hormones, inflammation/infection, and immunodeficiency. Diffuse large B‐cell lymphoma (DLBCL) is the most common pathological type. The majority of the patients presented with vaginal bleeding, abdominal pain, an abdominal mass, and other nonspecific symptoms. Lymphoma‐associated B symptoms are quite rare. These patients initially visited gynecological departments, possibly leading to misdiagnosis due to nonspecific features. The treatment strategies for and prognosis of PLFGT differ substantially from those of other gynecologic malignancies. Thus, interdisciplinary cooperation among gynecologists, pathologists, and hematologists is essential.
Development of immunoassay for detection of Microdochium fungi in grass
Authors: Lebedin Yuri , Antropova Anna , Maygurova Valentina , Usoltseva Marina , Gagkaeva Tatiana , Espevig Tatsiana 
Published: February 2025

AbstractThe most common and harmful disease affecting the grass on golf courses in the Nordic countries is microdochium patch. The early diagnosis of the Microdochium nivale can help prevent the spread of infection through targeted treatment. The aim of the work was to develop an enzyme linked immunosorbent assay (ELISA) test system for Microdochium fungi detection. We have prepared specific rabbit affinity antibodies against Microdochium genus by antigen adsorption and exhaustion on wide range of fungal species. These specific antibodies were used to construct sandwich ELISA showing genus specificity and capable to detect the antigen on early stage of infection on different grass substrates. In field study, the ELISA has shown good correlation to microbiological diagnostics and was able to detect the latent infection in the absence of visual signs. We suggest that Microdochium ELISA can be used for regular testing of grass specimens for prediction and early diagnosis of latent infection. Further studies are required to determine the antigen level, which indicates the degree of infection at which steps to prevent the disease need to be applied.
Human Milk Feeding in Inherited Metabolic Disorders: A Systematic Review of Growth, Metabolic Control, and Neurodevelopment Outcomes
Authors: Ilgaz Fatma , Höller Alexander , Marsaux Cyril , Banta‐Wright Sandra , Coşkun Turgay , Dingess Kelly A. , Jörg‐Streller Monika , Newby Camille , Singh Rani , Stahl Bernd , Szwec Clare , van Wegberg Annemiek , Woestenenk Willie , MacDonald Anita , Karall Daniela 
Published: February 2025

ABSTRACTHuman milk (HM) is the optimal source of nutrition for infants. Yet the suitability of HM macronutrient composition, paired with the challenge of regulating HM intake, may deserve some consideration for infants with inherited metabolic disorders (IMDs) requiring restrictive and controlled dietary management. Except for classic galactosemia, HM feeding is expected to be feasible, allowing infants to maintain metabolic stability, while growing and developing optimally. However, information about HM feeding in nonphenylketonuria (PKU) literature is scarce. In this systematic review, 52 studies were included, representing 861 infants (86% PKU) receiving HM after IMD diagnosis (mean duration 4–10 months depending on the IMD). For non‐PKU IMDs (e.g., other amino acidopathies, urea cycle disorders, organic acidemias, fatty acid oxidation disorders), outcomes of HM feeding were available for few infants, except for medium‐chain acyl‐CoA dehydrogenase (MCAD) deficiency (n = 48). In PKU, HM feeding combined with phenylalanine‐free formula, led to adequate metabolic control (25 studies), growth (15 studies), and neurodevelopment (10 studies). For other IMDs, more evidence is required, but the limited data suggest that HM feeding is possible, with attentive monitoring and disease‐specific formula supplementation where applicable. In MCAD deficiency, ensuring adequate HM intake is essential, as symptoms were more frequently reported in exclusively breastfed infants. No IMD‐specific articles were found on the relationship between HM feeding and many other outcomes of interest (e.g., immune status or comorbidity risk later in life). With the exception of galactosemia, HM feeding is expected to benefit infants with IMD. More data should be published for IMDs other than PKU.
Exposed Population to Temperature Extremes in MENA in the Context of Paris Climate Agreement Temperature Goals
Authors: Hamed Mohammed Magdy , Ali Zulfiqar , Nashwan Mohamed Salem , Shahid Shamsuddin 
Published: February 2025

ABSTRACTThis study aims to project extreme temperatures and the population exposed to them in the MENA region for two Shared Socioeconomic Pathways (SSP1‐1.9 and 1‐2.6), representative Paris climate agreement goals of 1.5°C and 2.0°C temperature rise limits, respectively, for two future periods, near (2020–2059) and far (2060–2099). The daily maximum (Tmax) and minimum (Tmin) temperature of global climate models (GCMs) of the coupled model intercomparison project phase 6 (CMIP6) were used to estimate eight temperature indices, while the population distribution for the historical and future periods was used to assess the changes in the population exposed to temperature extremes. Eastern regions faced the highest increase of warm spells, up to 100 days more in SSP1‐2.6, while cold spells decreased the most in Egypt and Sudan by up to 24 days in the same scenario. The southern region faced the highest increase in summer days, with population exposure up to 25 million person‐day by 2099. The extremes in temperature would mainly affect the populations of Mauritania, Algeria, Morocco, Saudi Arabia, Iraq, UAE, and Qatar. For a temperature rise of 2.0°C, the percentage of the population exposed to the extremes expressed by duration will increase by between 2.7% and 18.5% by 2059 and by between 8.9% and 77.8% by 2099, indicating a significant increase in the population exposed to the hot extreme for only 0.5°C rising temperature. However, the changes will be more remarkable for the cold and hot extremes.
Effect of growing temperature on root carbohydrate content and postharvest asparagus tip breakdown
Authors: Collings Emma R. , Alamar M. Carmen , Terry Leon 
Published: February 2025

AbstractBACKGROUNDTip breakdown has been identified as the main issue causing deterioration in asparagus quality during storage; however, the underlying mechanisms responsible for its development are unknown. Previous work showed higher incidence of tip breakdown occurring later in the season, when growing temperature was higher. Spears from two growing conditions (cooler vs warmer) were harvested throughout the season to assess tip breakdown incidence and quality attributes (asparagine and non‐structural carbohydrates) during storage, with the aim of enhancing understanding and identifying potential biomarkers of this physiological disorder. Root samples were also collected just after harvest to determine if storage root carbohydrate content was associated with a predisposition to tip breakdown.RESULTSRapid growth due to warmer temperatures (up to 45 °C) resulted in spears with lower sugar content and higher incidence of tip breakdown in comparison with cooler conditions. Asparagine slowly increased through the season (7 to 11 mg g−1 DW) with no differences between growing conditions, suggesting that it is not a biomarker for tip breakdown. Pre‐season spears (warm temperature only) had double the amount of sugar in comparison with early season spears, with no incidence of tip breakdown despite an extended storage period (up to 18 days at 7 °C). Sugar concentration in roots was similar between growing conditions and between pre‐ and early season despite clear differences in spear sugar content.CONCLUSIONThese results showed a strong positive link between cooler growing conditions, high spear sugar content, and low susceptibility to tip breakdown, which was not reflected in root sugar concentrations. However, further research is needed to understand the molecular mechanisms responsible for tip breakdown. © 2025 The Author(s). Journal of the Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Bronchopneumonia Radiating Across All Pulmonary Lobes From the Hilum Caused by Human Metapneumovirus
Authors: Nabeya Daijiro , Kinjo Takeshi , Nakayama Yuri , Shimabukuro Taiga , Kishaba Tomoo 
Published: February 2025

ABSTRACTThis human metapneumovirus pneumonia case, mimicking bacterial pneumonia, exhibited distinct features, including contact with a cold patient and CT findings of multilobar airway‐centric opacities with bronchial wall thickening. Even if point‐of‐care viral testing becomes widely available, recognising cases that warrant such tests remains crucial for improving community‐acquired pneumonia management.
scRecover: Discriminating True and False Zeros in Single‐Cell RNA‐Seq Data for Imputation
Authors: Miao Zhun , Lin Xinyi , Li Jiaqi , Ho Joshua , Meng Qiuchen , Zhang Xuegong 
Published: February 2025

ABSTRACTHigh‐throughput single‐cell RNA‐seq (scRNA‐seq) data contains an excess of zero values, which can be contributed by unexpressed genes and detection signal dropouts. Existing imputation methods fail to distinguish between these two types of zeros. In this study, we introduce a statistical framework that effectively differentiates true zeros (lack of expression) from false zeros (dropouts). By focusing only on imputing the dropout zeros, we developed a new imputation tool, scRecover. Our approach utilizes a zero‐inflated negative binomial framework to model the gene expression of each gene in each cell, enabling the estimation of zero‐dropout probability. Additionally, we employ a modified version of the Good and Toulmin model to identify true zeros for each gene. To achieve imputation, scRecover is combined with other imputation methods such as scImpute, SAVER and MAGIC. Down‐sampling experiments show that it recovers dropout zeros with higher accuracy and avoids over‐imputing true zero values. Experiments conducted on real world data highlight the ability of scRecover to enhance downstream analysis and visualization.
An Improved Method to Synthesize M2[B12H12] (M = Li, Na) by the Sequential Addition of Different Solvents
Authors: Gao Yan‐Mei , Yin Xin‐Ru , Wang Kai , Wang Rongyu , Chen Xi‐Meng , Chen Xuenian 
Published: February 2025

AbstractThe derivatives of [B12H12]2− anion are an important part of polyhedral boranes and play a significant role in the fields of energy, materials, and biomedicine. The researchers have made a great effort to explore the efficient method to synthesize the [B12H12]2− salts. However, the reported synthetic strategies are limited by the requirement of using toxic starting materials, harsh reaction conditions, and tedious and difficult work‐up processes. Herein, we developed an efficient method to synthesize [B12H12]2− salts with MBH4 (M = Li, Na) and N,N‐dibutylbenzenamine borane as the starting materials and by adding two kinds of solvents (DME and 1,4‐dioxane or THF and 1,4‐dioxane) into the system in a sequential order. M2[B12H12] (M = Li, Na) was synthesized in 75%–86% yields, respectively. This method avoids high boiling point ether solvents and flammable, toxic starting materials. Moreover, the developed method is simple and efficient, as the products can precipitate from the reaction system, greatly simplifying the separation process.