bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dithienylethene Proton Cranes – Another Way to Switch the Tautomeric State
Authors: Zaharieva Lidia , Deneva Vera , Angelov Ivan , Antonov Liudmil 
Published: January 2025

AbstractDithienylethenes (DTE) are a rare class of photoswitches, which are capable of undergoing a fast photochemical cyclization leading to increased aromaticity of the closed isomer. At the same time in most of the tautomeric compounds the tautomeric state is strongly affected by the change in the aromaticity of the involved aromatic rings. Very recently it has been shown that the implementation of DTE moiety in salicylideneaniline leads to switching of the stable open form enol tautomer to thermodynamically stable keto tautomer upon cyclization. In the present communication we consider in depth, by using DFT and TD‐DFT methodology, the reasons for low efficiency of these new switches and further develop the idea for DTE based switching in proton cranes.
Unusual Caesium Monensinate A: Crystallographic Evidence for the Formation of Dinuclear Coordination Species in the Solid State
Authors: Petkov Nikolay , Ivanova Anela , Nedyalkova Miroslava , Simova Svetlana , Dorkov Petar , Ugrinov Angel , Pantcheva Ivayla 
Published: January 2025

AbstractThe polyether ionophore monensin A (MonH), applied as silver monensinate, reacts with caesium cations to form a dinuclear complex [Mon2Cs2] the structure of which has been solved by single‐crystal X‐ray diffraction. Two Cs+ ions are located in the hydrophilic cage of two ligand anions, achieving coordination number eight. In addition, the metal cations are bridged by two functional groups of monensinate A, completing the inner tenfold coordination sphere. NMR studies show that the dinuclear complex dissociates to its mononuclear counterparts in methanol solutions. Further molecular dynamics theoretical modelling of the interaction of monensinate A with alkali metal ions reveals the effect of solvent polarity on the zipping ability of the ligand. Thus, in methanol, used as an explicit solvent, potassium and rubidium cations fully occupy the cavity of the ligand, whereas the sodium monensinate exists in an “open” form, with Na+ ions still interacting with the monodentate carboxylate group. The replacement of methanol by the less polar chloroform induces the folding of monensinate A and the formation of “closed” structures with all group 1 metal cations. The obtained data explain the specifics in the behaviour of monensinate A caused by the environment, e. g., physical state or solvent.
Recommendations for Advancing Understanding of Eating Disorders in Neurodivergent People: A Commentary on Inal‐Kaleli et al. 2024 and Nimbley et al. 2024
Authors: Herle Moritz , Carter Leno Virginia , Mandy Will 
Published: January 2025

ABSTRACTTwo recent reviews in the International Journal of Eating Disorders have highlighted the preponderance and unmet needs of neurodivergent people who experience disordered eating. In this commentary, we encourage researchers to engage with the bigger question of “What's Next?” and consider the type of research that is needed to shift the dial by lowering the incidence and persistence of disordered eating in neurodivergent people. As a starting point, we believe that future research must be guided by the needs and priorities of neurodivergent people with experience of eating disorders. Based on our own experience of community collaboration, we make specific recommendations for future research: (1) Broadening the Scope; such that we expand the focus beyond anorexia nervosa, and consider other manifestations of disordered eating, such as restriction, binge eating and emotional eating, and avoidant restrictive food intake disorder (ARFID), but also acknowledge the impact of other forms of neurodivergence beyond autism (e.g., ADHD), (2) Identifying Causal Mechanisms; moving beyond describing prevalence to studying why and how neurodevelopmental traits are associated with disordered eating (which in turn will inform new intervention design), and (3) Adapting Existing Interventions; understanding how current interventions can be adapted to meet the needs of neurodivergent individuals.
Response Surface Optimization of Hexane Extraction and Chemical Characterization of Oil From Locusta migratoria
Authors: Deniz Şirinyıldız Derya , Yorulmaz Aslı 
Published: January 2025

ABSTRACTResponse surface methodology (RSM) was utilized to determine the effect of extraction temperature (25°C–50°C), extraction time (40–240 min), and solvent:solid ratio (6–20 mL/g) on oil yield from Locusta migratoria (LM) using hexane extraction. The optimum parameters obtained from response surface analysis were 30°C of extraction temperature, 80 min of extraction time, and 17:1 mL/g solvent:solid ratio. The highest oil yield obtained at optimum conditions was 50.33%. The fatty acid profile of extracted LM oil was primarily composed of oleic (36.82%), palmitic (23.88%), and linoleic (22.07%) acids. The oil principally covered triglycerides with equivalent carbon number (ECN) 48, 46, and 44, and the major triacylglycerols were palmitodiolein (14.97%), palmitooleolinolein (12.72%), and dipalmitoolein (11.79%). The sterol content of the LM oil was 12 638.66 mg/kg, and the main sterol was cholesterol, which covered 83.80% of the total sterols. The oil had a noticeable amount of γ‐tocopherol (223.31 mg/kg), followed by α‐tocopherol.Practical Applications: Insects are encouraging candidates for incorporation in food systems due to their high nutritional value, low adverse environmental effect, and fast reproduction rate. Insect lipids have critical importance not only for being sustainable alternatives for plant‐ and animal‐based oils; but also for enhancing consumer acceptance and industrial applicability. Moreover, oil extraction from insect matrix is essential before protein extraction. The findings of the current study show that hexane extraction is a convenient technique to obtain oil from Locusta migratoria, and the obtained oil is a valuable intermediate for food applications due to its considerable chemical composition.
Synthesis of β‐Aminoketones via Arylboronic Acid Catalyzed Decarboxylative Mannich Reactions of Enamines and β‐Ketoacids
Authors: Wang Beining , Wang Yiding , Li Jun , Zhao Liuying , Wang Junyu , Wei Xinyu , Yuan Xiangyang , Hu Haipeng 
Published: January 2025

AbstractHerein, we report an arylboronic acid‐catalyzed Mannich reaction of β‐ketoacids and enamines. In this transformation, the enamine served as an imine equivalent to react with the β‐ketoacids with the delivery of CO2 as the sole by‐product. A series of β‐aminoketones were obtained in yields of 48 % to 96 % under mild reaction conditions with 5 mol % catalyst loading. Additionally, the product was synthesized on a gram scale and further transformations were carried out. A possible catalytic cycle was proposed.
Punishment and dynamic choice: Assessment of the direct‐suppression model
Authors: Fontes Rafaela M. , Shahan Timothy A. 
Published: January 2025

AbstractThe effects of punishment rate on response allocation were investigated using a choice procedure where relative reinforcement rates changed rapidly within session. Predictions from a modified version of the direct‐suppression model were tested in two separate experiments. In both experiments, sessions were composed of seven unsignaled components, each programming a different reinforcement ratio. In Experiment 1, equal punishment rates were superimposed on the schedule of reinforcement for both responses and absolute punishment rates increased across blocks of sessions. Punishment increased preference for the richer schedule of reinforcement, but the degree of the preference shift was not a function of absolute punishment rates. In Experiment 2, unequal punishment rates were superimposed on the schedules of reinforcement for both responses and relative punishment rates changed across blocks of sessions. Response allocation shifted away from the richer punishment schedule creating a bias toward the option associated with less frequent punishment. The results from both experiments challenged the predictions of the direct‐suppression model. Furthermore, fits of the generalized matching law to the data indicated that superimposition of equal or unequal punishment schedules on responses maintained by unequal reinforcement schedules differentially affect the values of sensitivity and bias.
Tolerance to NSAIDs in Actinobacteria From a Mexican Volcano Crater: Genomics and Bioremediation Potential
Authors: Soria‐Camargo Claudia , Can‐Ubando Lorna Catalina , Manzanares‐Leal Gauddy Lizeth , Sánchez‐Reyes Ayixon , Dávila‐Ramos Sonia , Batista‐García Ramón Alberto , Ramírez‐Durán Ninfa 
Published: January 2025

ABSTRACTNon‐steroidal anti‐inflammatory drugs (NSAIDs) are emerging contaminants that pose significant health and environmental risks due to their persistence, including their presence in drinking water. Bioremediation, particularly through microorganisms such as actinobacteria, offers a sustainable approach to mitigate these pollutants. Actinobacteria from poly‐extreme environments exhibit unique genetic and metabolic adaptations, enabling resistance to and degradation of various contaminants. This study aimed to evaluate the tolerance of actinobacteria to NSAIDs and conduct a genomic analysis of a selected strain. Actinobacteria were isolated from the crater of the Chichonal volcano [Chiapas, Mexico), resulting in 16 isolates. Among these, Micrococcus luteus P8SUE1, Micrococcus yunnanensis P9AGU1, and Kocuria rhizophila P1AGU3 demonstrated tolerance to diclofenac, ibuprofen, and paracetamol at concentrations of 1 ppm, 10 ppm, and 100 ppm, respectively. Whole‐genome sequencing of M. yunnanensis P9AGU1 identified genes linked to the degradation of aromatic compounds and adaptations to extreme environmental conditions, highlighting its potential for bioremediation applications.
Association between dairy product intake and prevalence of dental caries in 3‐year‐old Japanese children
Authors: Utsunomiya Hisanori , Tanaka Keiko , Okubo Hitomi , Nagata Chisato , Miyake Yoshihiro 
Published: January 2025

AbstractObjectivesEpidemiologic evidence on the association between intake of milk and dairy products and dental caries is limited, particularly in Asia. This cross‐sectional study examined the association between the consumption of milk and dairy products and dental caries among Japanese children aged 3 years.MethodsThe study subjects were 6221 children. Parents or guardians completed a questionnaire, including a self‐administered food frequency questionnaire for children. Dentists assessed dental caries, and these data were recorded in each child's maternal and child health handbook. Parents or guardians transcribed these data from the handbook to our questionnaire. Children were classified as having dental caries if they had one or more decayed or filled primary teeth. Associations with dental caries were assessed using logistic regression analysis with adjustments in demographics, dietary and lifestyle factors, and parental socioeconomic status.ResultsThe prevalence of dental caries was 14.6%. Intakes of milk, cheese, and yogurt were associated with 21%, 26%, and 35% decreases, respectively, in the odds of the prevalence of dental caries (p = 0.02, 0.001, and 0.002, respectively), whereas the intake of other dairy products, such as probiotic milk, ice cream, or custard pudding, was associated with a 2.3‐fold increase in the odds of the prevalence of dental caries (p < 0.0001). There was no association between intake of total dairy products and dental caries.ConclusionsConsumption of milk, cheese, or yogurt had a beneficial effect on childhood dental caries, even in Japan where people consume relatively less milk and dairy products.
Posttraumatic stress and posttraumatic growth among female and male veterans: The contribution of romantic relationship and friendship functioning
Authors: Barden Eileen P. , Kumar Shaina A. , Sager Julia C. , Thompson‐Hollands Johanna , Lee Daniel J. , Harper Kelly , Keane Terence M. , Marx Brian P. 
Published: January 2025

AbstractPosttraumatic growth (PTG) is characterized as the experience of positive psychological change following exposure to traumatic stress. However, studies examining the association between posttraumatic stress disorder (PTSD) symptoms and PTG have demonstrated mixed results. Further, although higher levels of social support have been shown to predict higher ratings of PTG, there are limited longitudinal findings regarding how interpersonal functioning may affect the association between PTSD symptoms and PTG. In this study, we examined interpersonal functioning in romantic relationships and friendships as mediators of the relation between PTSD symptom severity and PTG and examined potential sex differences among these associations. Participants were 1,427 veterans who completed self‐report questionnaires across three time points. A parallel mediation analysis indicated that romantic relationship, β = −.01, 95% CI [−.03, −.001], and friendship, β = −.02, 95% CI [−.04, −.001], functioning were both indirectly associated with PTG in the full sample. Moreover, sex‐stratified models indicated that romantic relationship functioning was a significant mediator for male veterans, β = −.02, 95% CI [−.05, −.01], whereas friendship functioning was a significant mediator for female veterans, β = −.04, 95% CI [−.08, −.01]. Together, these findings suggest that interpersonal functioning is an important factor in PTG, and targeting romantic relationship and friendship functioning in the context of trauma‐focused treatment may be valuable and can help build a pathway from PTSD symptoms to PTG among female and male veterans.
Color‐shifting Crystalline Colloidal Arrays from Polymers With Upper Critical Solution Temperature
Authors: Fan Xinzhen , Luo Mengqi , Zhang Yulin , Zhu X. X. , Zhao Chuanzhuang 
Published: January 2025

AbstractCrystalline colloidal arrays (CCAs) composed of core–shell microspheres with thermoresponsive structural iridescence governed by Bragg's law have garnered significant attention for diverse applications. While core–shell microspheres with lower critical solution temperature (LCST) properties are extensively studied, upper critical solution temperature (UCST) counterparts remain unexplored, offering the potential to expand the application scope of thermoresponsive CCAs. In this study, poly(N‐acryloyl glycinamide) (PNAGA), a UCST homopolymer, is employed for the first time to synthesize core–shell microspheres. By copolymerizing NAGA with the hydrophilic co‐monomer acrylamide (AM) to form the shell, microspheres with soft shells capable of assembling into CCAs with bright iridescence are obtained. Owing to Bragg's law and the UCST properties of the shell, the diffraction wavelength of these CCAs depends on concentration, observation angle, and temperature. The CCAs exhibit thermoresponsive behavior, with a size transition temperature around 14°C. Upon heating, the shells swell, and the microspheres transition from a rigid to a soft state, leading to an increase in interparticle distance and enhanced stabilization of the ordered microsphere packing. This process results in a red shift and a significant increase in the intensity of the diffraction peak. The thermoresponsive properties of these CCAs highlight their potential as intelligent temperature‐sensing materials.
Broadening the Phenotype Spectrum of MECP2 Variants in Men
Authors: Lötjönen Johannes , Kurra Venla , Laivuori Hannele , Bjelogrlić Nina 
Published: January 2025

ABSTRACTBackgroundMECP2 variants cause X‐chromosome‐linked rare developmental syndromes. Typically, the mutation is sporadic, occurs in females and is fatal in men. Accurate genetic and clinical diagnostics are considered essential for the management of symptoms and the development of new treatments. These aims may be difficult to reach before more is known about factors resulting in highly variable clinical pictures among patients carrying the same MECP2 variant. We describe the clinical picture of two brothers carrying the same MECP2 variant and compare them with cases published in the literature.MethodsMost of the MECP2 mutations are known to be de novo mutations, which is why the recurrence of the mutation in the couple's other children is unlikely. Unexpectedly, our routine genetic testing revealed a 23‐year‐old man (P1) and his younger brother (P2) to carry the same hemizygous pathogenic missense variant c.419C>T, p.(Ala140Val) (transcript NM_004992.3) of MECP2, which was found to be inherited from their presumably asymptomatic mother. Thus, further clinical evaluation and comparison with literature cases was considered necessary.ResultsThe P1 has a severe syndromic intellectual disorder (ID), whereas his brother has a substantially milder ID predominantly limited to problems in verbal skills. Neither P1 nor his younger brother has been diagnosed with Rett syndrome. The P1 (unlike his younger brother) has several lingual, social and motor difficulties; disruptive behavior was the most difficult symptom to treat. P1's response to several medical and non‐medical treatment trials has remained inadequate, thus requiring the patient to be hospitalised for a long time.The literature review revealed that apart from our family, there are five other families with more than one male carrying the same MECP2 p.Ala140Val mutation, such as P1 and P2. The phenotypes of all 24 men from us (n = 2) and others (n = 22) carrying the same, presumably non‐lethal mutation show great variability.ConclusionsThe p.Ala140Val mutation of MECP2 in males is associated with a rare X‐chromosomal developmental disorder with highly variable phenotypes. Further studies are needed to better understand all those influencing factors that can explain phenotypic differences within the same genotype to find optimal medicinal therapies.
Artificial Intelligence Enabled Biomineralization for Eco‐Friendly Nanomaterial Synthesis: Charting Future Trends
Authors: Chandrasekar Vaisali , Panicker Anu Jayanthi , Singh Ajay Vikram , Bhadra Jolly , Sadasivuni Kishor Kumar , Aboumarzouk Omar M. , Al Ansari Abdulla , Dakua Sarada Prasad 
Published: January 2025

ABSTRACTThe applications of nanoparticles (NPs) have shown tremendous growth during the last decade in the field of biomedicine. Although chemical and physical methods dominate large‐scale NP synthesis, such methods are also known for their adverse impact on the environment and health. In contrast, the use of biological systems provides a sustainable alternative for producing functional NPs by biomineralization process. The transformative power of artificial intelligence (AI) has been proven prudent in diagnosis, drug development, therapy, and clinical decision‐making. AI can be utilized for tailored design, synthesis, and NPs scale‐up for biomedical applications. The present review provides an overview of biomineralization process and its advantages over other eco‐friendly NP synthesis opportunities. Specific emphasis is provided on the application of NPs in cancer therapy and how the use of biologically compatible NPs can improve cancer management. Finally, to the best of our knowledge, the potential of integrating AI in NPs synthesis is comprehensively analyzed for the first time. Additionally, an overview on how AI can help surpass conventionally synthesized NP toxicity by integrating toxicology and material science is provided.
Positional Packet Capture for Anomaly Detection in Multitenant Virtual Networks
Authors: Spiekermann Daniel 
Published: January 2025

ABSTRACTAnomaly detection in multitenant virtual networks presents significant challenges due to the dynamic, ephemeral nature of virtualized environments and the complex traffic patterns they generate. This paper presents a definition of preferable positions within virtual networks to enhance anomaly detection efficacy. Leveraging a combination of overlay and underlay capture positions, this paper examines the strategic impact of network positioning on anomaly detection accuracy, particularly in environments utilizing software‐defined networking (SDN) and network function virtualization (NFV). Through controlled testing with realistic attack scenarios, including data exfiltration, denial of service, and malware infiltration, the advantages and constraints of each capture position are demonstrated. The findings underscore the necessity of adaptable capture mechanisms to address variability in data volume, encapsulation challenges, and privacy concerns unique to virtualized ecosystems. The paper further introduces a cost calculation model that evaluates each capture position by weighting key factors, enabling an optimized trade‐off between detection accuracy and resource efficiency. The derived classification of the positional value significantly improves real‐time detection of both internal and external threats within multitenant networks.
Affective Politics of Belonging to STEM: Some Conceptual and Methodological Considerations
Authors: El Halwany Sarah , Adams Jennifer D. 
Published: January 2025

ABSTRACTThis paper is situated within the vast literature that examines issues of under‐representation, microaggressions, and social inequities faced by racially and gender diverse students in STEM education. As part of the special issue “Centering Affect and Emotion Toward Justice and Dignity in Science Education,” it focuses on analyzing the affective dimensions of racialized students' encounters in postsecondary settings to highlight affective politics of belonging to STEM fields within a Canadian context. Research on emotions in science education can benefit from a process‐oriented view of emotions to better understand how exclusionary boundaries get (re)formed between bodies, which can inform science equity efforts. One major implication of this work is to offer a different analytical tool for approaching notions of belonging as commonly employed in science education literature. Through a cultural political analysis of emotions, desires, and affects, we seek to go beyond psycho‐social views on belonging as synonymous with understanding students' sense of belonging in STEM. Sense of belonging maintains emotions as interiorized positive feelings, whereby belonging is often employed as a self‐explanatory term, if not an end goal, conflating it with (group) identity. Rather, we seek to analyze how belonging is affectively constituted in day‐to‐day encounters between students and within spaces of postsecondary STEM. Careful not to reproduce deterministic and static analyses, we further attend to students' longings and desires for encountering STEM and higher education spaces anew. Finally, we consider some methodological affordances and limitations for attuning to the affective and embodied in students' responses to an exploratory survey.