bluuebunny/crossref_metadata_2025_split huggingface dataset:
Liquid Chromatography–High‐Resolution Mass Spectroscopy‐Based Metabolomics for Identification Cytotoxic Compounds From Acalypha Indica L. on MCF‐7 Breast Cancer Cells as Potential Anticancer Agents
Authors: Hayati Elok Kamilah , Sabarudin Akhmad , Aulanni'am  , Rozi Fachrur , Septaningsih Dewi Anggraini , Rafi Mohamad 
Published: February 2025

ABSTRACTAcalypha indica is a weed used in traditional cancer treatments. In this study, we present the first attempt to use a metabolomic approach to identify cytotoxic compounds from A. indica extract with potential anticancer properties. The leaves of A. indica were extracted using ethanol, ethyl acetate, chloroform, and n‐hexane. The cytotoxic activity against MCF‐7 cells was evaluated, revealing 50% inhibition concentration (IC50) values ranging from 51.88 ± 7.80 to 226.86 ± 13.27 µg/mL. Metabolite profiling using liquid chromatography–high‐resolution mass spectroscopy identified 27 metabolites and principal component analysis successfully differentiated the extracts, indicating variability in the compounds extracted using each solvent. To identify the cytotoxic compounds, orthogonal partial least‐squares discriminant analysis was used to correlate metabolite profiles with IC50 values from the cytotoxic assay. From the results obtained, we successfully predicted six compounds contributing to the anticancer activity of A. indica, namely hernanol, 13(S)‐HpOTrE, (±)9‐HpODE, (+)‐catechin, traumatic acid, and one compound as assumed to be theobromine. In silico analysis predicted that (+)‐catechin and hernanol bind to the alpha‐estrogen receptor with an affinity similar to that of doxorubicin.
Mentha pulegium L. and Salvia officinalis L. Bioactive Compounds: Focus on Their Application in Agriculture and Food Packaging
Authors: Khodja Nabyla Khaled , Brahmi Fatiha , Zebiri Feriel , Ouchene Amina , Bradai Yasmine Djedjiga , Madani Khodir 
Published: February 2025

ABSTRACTPlants are a valuable source of diverse natural active compounds with distinct biological characteristics and mechanisms. Considering plant extracts and phytochemicals have biological action both in vitro and in vivo, plants are being used as alternative sources in agriculture and food industry. Mentha pulegium L. and Salvia officinalis L. from the Lamiaceae family are some of the most popular and widely utilized medicinal plants due to their bioactive compounds such as essential oils (EOs) and phenolics, which have powerful antioxidant and antimicrobial characteristics. It is evident that these plants have also a variety of applications due to their various components and concentrations. This study aimed to provide an overview on the two species’ composition and biological activities to review the applications of their crude extracts and EOs in agriculture as natural pesticides to protect different cultures and in food industry to produce biobased food packaging.
Oligomerization of STING and Chemical Regulatory Strategies
Authors: Chen Xi , Zhuo Shao‐Hua , Li Yan‐Mei 
Published: February 2025

AbstractStimulator of interferon genes (STING) plays a crucial role in innate immunity. Upon the recognition of cytosolic dsDNA, STING undergoes several structural changes, with oligomerization playing a key role in initiating a cascade of immune responses. Therefore, controlling the STING pathway by manipulating STING oligomerization is a practical strategy. This review focuses on the detailed mechanism of STING oligomerization, highlighting its decisive role. It also describes oligomerization‐based strategies to regulate STING protein, such as the use of small‐molecule agonists and biomacromolecules, highlighting their interaction modes and potential therapeutic applications. This knowledge may lead to the development of innovative approaches for treating cancer and immune disorders.
The Role of IVUS in Coronary Complications
Authors: Ugo Fabrizio , Franzino Marco , Massaro Gianluca , Maltese Ludovica , Cavallino Chiara , Abdirashid Mohamed , Benedetto Daniela , Costa Francesco , Rametta Francesco , Sangiorgi Giuseppe Massimo 
Published: February 2025

ABSTRACTIntravascular ultrasound (IVUS) is an essential tool in the diagnostic and therapeutic management of coronary artery disease. In daily practice, IVUS is particularly useful for plaque characterization, optimizing stent implantation, and identifying the cause of in‐stent restenosis. In acute coronary syndromes, it helps to detect culprit lesions that are not clearly visible on angiography and plays a key role in the diagnostic algorithm for myocardial infarction with non‐obstructive coronary arteries (MINOCA). Additionally, IVUS is frequently used in complex and calcified lesions to guide optimal plaque modification strategies and improve procedural and long term outcomes. Beyond these common applications, IVUS is crucial in managing coronary complications, such as coronary dissection, perforation, intramural hematoma, and side‐branch occlusion. In these challenging cases, IVUS allows us to overcome some of the limitations of angiography. This review explores the role of IVUS in bail out situations, offering practical tips and techniques for navigating coronary complications and improving procedural success in a safer and more refined manner.
Saline‐Enhanced Optical Coherence Tomography (OCT) and Combined Orbital Atherectomy and Intravascular Lithotripsy in Complex Right Coronary Artery Stenosis With Chronic Kidney Disease
Authors: Naeem‐Shaukat Zubair , Ehtisham Javed , Shaukat Naeem , Helal Ayman 
Published: February 2025

ABSTRACTManaging coronary artery disease (CAD) in patients with chronic kidney disease (CKD) poses significant challenges, particularly in reducing contrast volume to prevent worsening renal function. We present the case of a 67‐year‐old male with an initial presentation of inferior STEMI and 2:1 Mobitz Type II AV block, who underwent successful primary percutaneous coronary intervention (PPCI) for a thrombotic occlusion in the right coronary artery (RCA) then staged procedure for calcium modification and stenting. This report highlights two key aspects of the procedure: using saline instead of contrast for optical coherence tomography (OCT) to minimize contrast exposure, and and employing combination of orbital atherectomy followed by intravascular lithotripsy (IVL) for calcium modification in a heavily calcified lesion. The case underscores the importance of individualized procedural strategies to optimize outcomes in patients with complex coronary anatomy and comorbid CKD. In conclusion, using saline‐enhanced OCT provides adequate imaging and helps to minimize contrast use to prevent kidney injury while the combined use of orbital atherectomy and IVL allowed for optimal calcium modification, enabling excellent stent deployment in a severely calcified coronary disease.
Maturity‐Onset Diabetes of the Young (MODY) With HNF1B p.Glu105Lys Mutation Achieving Significant Insulin Reduction on Tirzepatide: A Case Report
Authors: Sue Mihiro , Watanabe Mayu , Inoue Ayumi , Katayama Akihiro , Teshigawara Sanae , Matsushita Yuichi , Takeda Masaya , Iseda Izumi , Eguchi Jun , Hida Kazuyuki 
Published: February 2025

ABSTRACTThis report describes the first case of maturity‐onset diabetes in young (MODY) with HNF1B mutation started administration of the dual glucose‐dependent insulinotropic polypeptide and glucagon‐like peptide‐1 receptor agonist, tirzepatide. A 26‐year‐old female with a 15‐year history of diabetes mellitus was diagnosed with MODY, which is characterized by decreased insulin secretion. She was treated with tirzepatide, which significantly improved her glycemic management; insulin secretion increased the fasting serum C‐peptide immunoreactivity from 0.36 to 1.09 ng/mL. The patient discontinued glimepiride, and her total daily insulin dose was reduced from 88 to 4 units. This report highlights the glucose‐lowering effects of tirzepatide in a patient with MODY who has the HNF1B p.Glu105Lys mutation.
Structural Requirements of Synthetic Anionophores for Inorganic Phosphate and Phosphate Esters
Authors: Torres‐Huerta Aaron , Norvaisa Karolis , Cataldo Alessio , Tits Pierre‐Olivier , Panda Priyanka Rani , Dias Christopher M. , Davis Anthony P. , Bodman Samantha E. , Butler Stephen J. , Valkenier Hennie 
Published: February 2025

AbstractThe transmembrane transport of anions is a promising application of synthetic anion receptors. Numerous anionophores have been developed for chloride over the past decades. Despite the biological relevance of phosphate and phosphate esters, very few reports on their transport by synthetic systems exist. Here we report a systematic study on the transport of diphenyl phosphate, phenyl phosphate, and inorganic phosphate by five different anionophores. The transport of these phosphates into liposomes was monitored by fluorescence spectroscopy, 31P NMR spectroscopy, and an ion selective electrode. The results of these experiments showed that diphenyl phosphate is readily transported by most chloride ionophores. The transport of phenyl phosphate is more challenging but can be enhanced by better shielding of the phosphate group. Inorganic phosphate is the most challenging to transport and this was achieved using a macrocyclic anionophore with eight preorganised H‐bond donors. These results pave the way for the development of anionophores for inorganic phosphate as well as phosphate esters.
Assessment of risk of malignancy with application of Sydney classification for reporting of lymph node cytopathology in pediatric population: An institutional experience
Authors: Sable Mukund , Panda Manisha , Acharya Prapti , Mishra Pritinanda , Purkait Suvendu , Sethy Madhusmita , Ayyanar Pavithra , Adhya Amit Kumar , Patra Susama 
Published: February 2025

AbstractBackgroundFine‐needle aspiration cytology (FNAC) has been used as the first line approach to lymphadenopathy, which is a common presentation in pediatric age group. The Sydney system for reporting of lymph node (LN) cytology has been proposed to assess the reliability, performance, and accuracy of the aspiration procedure. This study intends to assess the role of FNAC in the pediatric population according to the Sydney system.MethodsThis was a retrospective observational study from a tertiary care center in Eastern India. All the patients in the age group of 0–18 years evaluated during years 2016–2024 were reclassified according to the Sydney system. Based on the cytology and histology diagnoses, the cases were categorized into true‐negative, true‐positive, false‐negative, and false‐positive. The overall sensitivity, specificity, positive predictive value (PPV), negative predictive value (NPV), accuracy, and risk of malignancy (ROM) was calculated for each category.ResultsOf 803 cases of pediatric LN‐FNACs, 35 (4.35%) cases were reported as inadequate (L1), 689 (85.8%) cases as benign (L2), four (0.49%) cases as atypical cells of undetermined significance (L3), 22 cases as suspicious for malignancy (L4), and 53 (6.6%) cases as malignant (L5). The sensitivity, specificity, PPV, NPV, and accuracy was 72.34%, 98.48%, 97.14%, 83.33%, and 87.61%, respectively. The ROM was 16.67% for L2 and 100% for both L4 and L5 categories.ConclusionsFNAC is a highly accurate and specific test for LN pathology, especially in the pediatric population. The incorporation of the Sydney system helps to achieve uniformity and reproducibility in LN cytology diagnosis.
Analysis of density matrix embedding theory around the non‐interacting limit
Authors: Cancès Eric , Faulstich Fabian M. , Kirsch Alfred , Letournel Eloïse , Levitt Antoine 
Published: February 2025

AbstractThis article provides the first mathematical analysis of the Density Matrix Embedding Theory (DMET) method. We prove that, under certain assumptions, (i) the exact ground‐state density matrix is a fixed‐point of the DMET map for non‐interacting systems, (ii) there exists a unique physical solution in the weakly‐interacting regime, and (iii) DMET is exact up to first order in the coupling parameter. We provide numerical simulations to support our results and comment on the physical meaning of the assumptions under which they hold true. We show that the violation of these assumptions may yield multiple solutions to the DMET equations. We moreover introduce and discuss a specific ‐representability problem inherent to DMET.
Bio‐Based Cationic Surfactants from 5‐(Hydroxymethyl)furfural for Antimicrobial Applications: The Role of Cationic Substitutes, Alkyl Chains, and Ester Linkages
Authors: Seitkalieva Marina M. , Vavina Anna V. , Strukova Elena N. , Samigullina Aida I. , Sokolov Maxim R. , Kalinina Maria A. , Ananikov Valentine P. 
Published: February 2025

AbstractA novel series of bio‐based cationic surfactants, synthesized from the platform chemical 5‐(hydroxymethyl)furfural (5‐HMF), fatty acids, and bio‐based amines, has been developed, offering a sustainable alternative to conventional surfactants. These compounds, referred to as surface‐active ionic liquids (SAILs), have critical micelle concentration (CMC) values lower compared to conventional quaternary ammonium cationic surfactants, indicating enhanced surface activity. The surface properties of the SAILs are predominantly influenced by the type of substitution in the cationic head group, with morpholinium‐based surfactants having significantly lower CMC values than diethyl ammonium ones. The length of the alkyl chain also plays a significant role in determining the physicochemical and biological characteristics of these surfactants, which vary depending on the chain length. Surfactants with longer alkyl substituents demonstrate enhanced thermal stability and surface activity. The newly synthesized amphiphiles exhibit antimicrobial activity comparable to known quaternary ammonium cationic agents but with lower cytotoxicity. Importantly, these surfactants show controlled degradation under temperature‐driven hydrolysis and basic conditions while maintaining stability in acidic environments. These findings highlight the potential of developed bio‐based surfactants to deliver high performance with reduced environmental impact, positioning them as potential candidates for antimicrobial applications and industrial uses focusing on sustainability goal.
PF6‐ and Na+ Co‐intercalation in Graphite Cathode of Sodium Dual‐Ion Batteries by Enhanced Surface Concentration Effect
Authors: Li Fan , Shen Yong-Feng , He Bin , Li Wen-Cui 
Published: February 2025

Dual‐ion batteries are attracting much attention due to the joint participation of anions and cations in the energy storage process. However, this unique battery configuration imposes high demands on the cathode, which typically presents an inferior rate performance. Herein, we employ graphite in different microcrystalline sizes as cathodes, associated with high concentration electrolyte to construct sodium dual‐ion batteries. The results of in‐situ XRD and Raman evidence that the surface effect is enhanced by suitably small graphite microcrystals, where a greater surface involvement affords more electro‐activated regions for the ions. Furthermore, the analysis of sputtering XPS confirms that the PF6‐ is accompanied by the co‐intercalation of Na+ into cathodes by constructing the model of concentration effect, thus accelerating the kinetic process. In conclusion, the co‐intercalation of PF6‐ together with Na+ is demonstrated under the influence of enhanced surface concentration effect in cathodes, and thus the cathodes exhibit a superior rate performance with a capacity of 103.6 mAh g‐1 at a rate of 2 C and a rate retention of 94.8% even at 50 C. This work provides new insights to explain the mechanism of ion intercalation in dual‐ion batteries and offers a perspective for the construction of high energy storage systems.
Linking spatial variations in life‐history traits to environmental conditions across American black bear populations
Authors: Metthé Lisyanne , Dussault Christian , Hamel Sandra 
Published: February 2025

AbstractSpatial variations in food availability may influence life‐history traits of wildlife species, particularly in capital‐breeding species that store energy when food is widely available and catabolize it during energy‐intensive reproductive periods. The reproductive success of capital breeders is thus highly dependent on the accumulation of fat reserves. Reproductive success may also improve with access to alternative food resources provided by environments with strong human footprint and anthropogenic disturbances, but these environments may also increase mortality risks of wildlife. We performed a systematic review to extract reproduction and survival traits reported in studies on the American black bear (Ursus americanus), a capital breeder. Based on 94 studies widely distributed across North America, we conducted meta‐regression analyses to assess whether interpopulation variation in age at primiparity, litter size of cubs, annual cub survival, and annual survival of adult females were associated with environmental conditions, that is, habitat quality, habitat productivity, and anthropogenic disturbances. We found that mean age at primiparity decreased from around 5 to 4 years old in areas with the highest habitat quality and productivity as well as the highest human population densities compared with those with poor habitat quality and productivity and low human population densities. Mean litter size increased by approximately 13% (from 2 to 2.25 cubs per litter) in areas with the highest compared with the lowest proportion of deciduous forest, while cub survival increased by about 13% (from 60% to 73%) in areas with the highest compared with the lowest coverage of agricultural crops. Adult female survival decreased from 92% to 85% in areas where hunting was allowed. These results provide new insights into the factors associated with variations in reproductive success and survival across populations of a widely distributed species, demonstrating the impact of both natural and anthropogenic factors. Our study highlights the necessity of considering the ongoing changes in the distribution and growth of potential food resources, as well as the growing encroachment of humans into wildlife habitats, when planning management and conservation actions at the scale of a species distribution range.
A Hobson’s Choice Co‐ligand in Imparting Spin Crossover in Fe(II) complexes based on 1,3,4‐Oxadiazole ligands
Authors: Sundaresan Sriram , Carrella Luca M. , Eppelsheimer Julian , Rentschler Eva 
Published: February 2025

In this manuscript we report the synthesis of three methanol solvatomorphs of Fe(II) complexes with the 2‐(2‐phenyl)‐5‐[N,N‐bis(2‐pyridylmethyl)aminomethyl]‐1,3,4‐oxadiazole
(LPh‐ODA) ligand and three different NCE co‐ligands where E = S, Se and BH3 (C1‐C3). The complexes obtained were characterized by single crystal X‐ray crystallography and SQUID magnetometry between 2 and300 K. Complexes C1 and C2 remain in the high spin state over the entire measured temperature window, whereas complex C3 exhibits a solvent dependent spin transition with a T1/2 of 166 K. Upon heating the sample to 400 K and removing methanol, the complex exhibited a two‐step spin transition with the first step having a T1/2 of 215 K and a second step having a T1/2 of 137 K.
Spontaneous Pain and Pain Sensitivity in Response to Prolonged Experimental Sleep Disturbances—Potential Sex Differences
Authors: Olia Keeyon , Goldstein Michael R. , Engert Larissa C. , Besedovsky Luciana , Dang Rammy , Bertisch Suzanne M. , Sethna Navil , Haack Monika 
Published: February 2025

ABSTRACTIntroductionInsomnia is a highly prevalent condition that predisposes individuals to many chronic pain disorders, with most of them showing pronounced sexual dimorphism. We investigated whether experimental insomnia‐like sleep disturbances (ESD) affect spontaneous pain and pain sensitivity, and whether sex modulates pain responses.MethodsTwenty‐four healthy participants (50% females, age 28.3 ± 5.9 years) participated in a study consisting of two 19‐day in‐laboratory protocols—an ESD protocol consisting of repeated nights of short and disrupted sleep with intermittent nights of undisturbed sleep and a control sleep (CS) protocol consisting of 18 nights with an undisturbed 8‐h sleep opportunity. Spontaneous pain was assessed using electronic rating scales during daytime and night‐time wake periods. Pain sensitivity was assessed through pressure and heat pain threshold measures every other day of the protocol.ResultsFemales responded with higher daytime pain ratings in the ESD compared to the CS condition, while males responded with lower pain ratings (p < 0.05 for condition*sex). Spontaneous pain ratings were higher at night‐time than during daytime and worsened across successive nights of sleep disturbances, independent of sex (p < 0.05 for condition*study day*daytime‐night‐time). Females developed greater pressure pain sensitivity, while males developed greater pain sensitivity to heat in the ESD compared to the CS condition (p < 0.05 for condition*sex).ConclusionPain responses to sleep disturbances strongly vary by sex and may contribute to sex differences in the prevalence and symptom burden of many chronic pain conditions. Because the study was not a priori powered on sex, findings are preliminary and require follow‐up in larger samples. Findings further suggest to specifically target night‐time pain in sleep disturbed individuals, for example, through optimised timing of analgesic‐acting medications.SignificanceExploration of sex as a modulator suggest that sleep disturbances amplify spontaneous pain and pressure pain sensitivity to a greater extent in females than in males, and this may contribute to females' overrepresentation and disproportionate symptom burden observed for many pain‐related disorders for which insomnia is comorbid or a risk factor.
Numerical Study of Hydrate Dissociation and Heat Stimulation by Hot Water Injection in Gas Hydrate Reservoirs
Authors: Shen Kaixiang , Wang Yingsheng , Yan Xiangyang , Zhou Jiawei , Zhang Kewei , Jiang Youshi 
Published: February 2025

ABSTRACTHot water injection has been a simple and promising method of thermally stimulating the extraction of hydrates, which promotes the dissociation of natural gas hydrates and improves gas production. However, the temperature region influenced by injecting hot water requires further research and evaluation. In this study, a computational model of the temperature field in the hydrate reservoir during hot water injection with the finite volume method, considering coupled gas–liquid two‐phase flow, heat conduction, and hydrate dissociation, was developed. The model focuses on hot water injection vertical wells completed with slotted liners in the Shenhu Sea area hydrate reservoir, which can consider the heterogeneity of porosity, permeability, and saturation. It also analyzes the effects of injection volume, injection rate, hot water temperature, and other factors on the variations in temperature and pressure distribution. The results indicate that selecting the appropriate injection volume, the temperature of hot water, and the injection rate can promote hydrate decomposition and expand the range of heat stimulation reservoir temperature. Reservoir heterogeneity leads to heterogeneity of the hydrate dissociation front and temperature influence range, and the influence range of heat stimulation is larger than homogeneous reservoir.