bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mirtazapine: An Antidepressant for Treating Chronic, Refractory Nausea and Vomiting in a Patient With Metastatic Sarcoma Receiving Palliative Care: A Case Report
Authors: Ziaei Seyedeh Golnaz , Tahmasebi Mamak 
Published: November 2024

ABSTRACTManaging chronic, refractory nausea and vomiting in advanced cancer patients is challenging, especially when unrelated to cancer treatment. Mirtazapine, a tetracyclic antidepressant, effectively alleviates these symptoms, improving quality of life. It offers a promising palliative care alternative, addressing multiple symptoms and reducing polypharmacy, thereby enhancing patient satisfaction.
Theoretical Study on Pt1/CeO2 Single Atom Catalysts for CO Oxidation
Authors: Li Boyang , Li Jian , Ding Shujiang , Su Yaqiong 
Published: November 2024

AbstractOptimizing the structural configurations of atom‐efficient single‐atom catalysts (SACs) is crucial for enhancing the catalytic performance. In this study, we used density functional theory (DFT) to investigate single Pt atoms positioned at step‐edges and within a solid solution on the CeO2(111) surface, comparing their thermodynamic stability, electronic properties, and potential energy surfaces for CO oxidation. Stability studies indicate that the solid solution catalyst is more stable than the step‐edge‐supported catalyst. Additionally, the Pt atom in the solid solution effectively activates lattice oxygen, facilitating oxygen vacancy formation. CO oxidation, analysed through the Mars‐van Krevelen mechanism, reveals that the solid solution catalyst possesses moderate CO adsorption energy and lower oxygen vacancy formation energy, resulting in reduced energy barriers throughout the CO oxidation cycle. These findings underscore the critical impact of Pt atom configuration within the CeO2 matrix on catalytic activity, with the solid solution model demonstrating superior efficiency over step‐edge‐supported Pt catalysts.
Electrochemical Synthesis of Purine Alkaloid Metabolites from Caffeine
Authors: Asra Ridho , Jones Alan M. 
Published: November 2024

AbstractThe development of electrochemical approaches to the valorization of abundant natural products into high value medications and metabolites is of pharmaceutical interest. In this study, we explored the electrosynthetic behavior of the abundant legal psychoactive, caffeine, a representative member of the purine alkaloid class. Initial screening of the cyclic voltammetric behavior of eleven exemplar purine alkaloids revealed a structure electroactivity relationship (SeAR) for determining the initial oxidation site of caffeine. Optimization of the current controlled electrochemical (CCE) reaction enabled the dialing‐in/out of differential oxidative metabolic products using both undivided and divided cells. Sequential desmethylation around the purine ring was observed both by isolation and comparison to authentic metabolite reference standards via HPLC measurements. Amide, imide, and a novel N‐methyl heteroaryl oxidation mechanism were observed. Tractable quantities of the high‐value medication, theophylline, and the dietary supplement, paraxanthine, were isolated in 17 % and 8 % b.r.s.m. This approach offers a marked improvement compared to the best‐in‐class techniques (chemical 0.8 % and enzymatic 0.97 % yields) and may have potential in other natural product and drug discovery settings to prepare valuable metabolites.
High‐performance and flexible thermoelectric generator based on a robust carbon nanotube/BiSbTe foam
Authors: Jeong Myeong Hoon , Bae Eun Jin , Park Byoungwook , Ha Jong‐Woon , Han Mijeong , Kang Young Hun 
Published: November 2024

AbstractOrganic thermoelectric generators (TEGs) are flexible and lightweight, but they often have high electrical resistance, poor output power, and low mechanical durability, because of which their thermoelectric performance is poor. We used a facile and rapid solvent evaporation process to prepare a robust carbon nanotube/Bi0.45Sb1.55Te3 (CNT/BST) foam with a high thermoelectric figure of merit (zT). The BST sub‐micronparticles effectively create an electrically conductive network within the three‐dimensional porous CNT foam to greatly improve the electrical conductivity and the Seebeck coefficient and reinforce the mechanical strength of the composite against applied stresses. The CNT/BST foam had a zT value of 7.8 × 10−3 at 300 K, which was 5.7 times higher than that of pristine CNT foam. We used the CNT/BST foam to fabricate a flexible TEG with an internal resistance of 12.3 Ω and an output power of 15.7 µW at a temperature difference of 21.8 K. The flexible TEG showed excellent stability and durability even after 10,000 bending cycles. Finally, we demonstrate the shapeability of the CNT/BST foam by fabricating a concave TEG with conformal contact on the surface of a cylindrical glass tube, which suggests its practical applicability as a thermal sensor.
Site‐specifically Phosphorylated Hsp90C‐terminal Domain Variants Provide Access to Deciphering the Chaperone Code.
Authors: Gajsek Oliver , Becker Christian F. W. , Conibear Anne C. 
Published: November 2024

AbstractThe ubiquitous molecular chaperone Heat shock protein 90 (Hsp90) is pivotal in many cellular processes through folding of client proteins under stressed and normal conditions. Despite intensive research on its function as a chaperone, the influence of posttranslational modifications on Hsp90 (the ‘chaperone code’), and its interactions with co‐chaperones and client proteins, still remains to be elucidated. The C‐terminal domain (CTD) of Hsp90 is essential for formation of the active homodimer state of Hsp90 and contains recognition sites for co‐chaperones and client proteins. Here we used expressed protein selenoester ligation to introduce site‐selective phosphorylations in the Hsp90 CTD, while preserving the native amino acid sequence. The two phosphorylations do not affect the overall secondary structure, but in combination, slightly decrease the thermal stability of the CTD. The Hsp90 CTD functions as a chaperone in decreasing aggregation of model client proteins, but the C‐terminal phosphorylations do not significantly alter the anti‐aggregation activity for these clients. The optimization of expressed protein selenoester ligation (EPSL) to carry out several steps in one pot provides an efficient route to access site‐specifically modified Hsp90 CTD variants, allowing the generation of Hsp90 variants with site‐specific PTMs to decipher the chaperone code.
Determination of Sugar Concentrations in Aqueous Solution Using Multivariate Predictions Based on 1H‐NMR Spectroscopy
Authors: Herdlevær Kristoffer Mega , Strandengen Kasper , Løhre Camilla , Barth Tanja 
Published: November 2024

AbstractRenewable chemicals from carbohydrate‐rich wastes, like furfural and 5‐hydroxymethylfurfural (HMF), are gaining prominence as alternatives to petroleum‐based resources. Assessing the suitability of biomass as feedstock for furfural and HMF production requires knowledge of its composition. This study focuses on developing and validating predictive models for individual sugar concentrations in hydrolysates using quantitative 1H NMR data. Utilizing partial least square (PLS) regression, the dataset includes 137 NMR spectra of multi‐component sugar standards (arabinose, fructose, galactose, glucose, mannose, maltose, sucrose, and xylose). The best‐performing model achieved an R2 of 0.987–0.999 and RMSECV of 0.37–1.56 mM and is based on the non‐overlapping area of the NMR spectrum. Real‐world samples were used for validation, resulting in predicted sugar concentrations with a mean standard deviation of 0.5 mM. This high accuracy and streamlined analysis process make these models practical for quantifying large sample sets, showcasing the reliability and accessibility of extracting statistical information from H‐NMR data.
In situ X‐Ray Powder Diffraction Investigation on the Development of Zeolite‐Templated Carbons in FAU Zeolite
Authors: Aumond Thibaud , Esteves Martin , Mocuta Cristian , Batonneau‐Gener Isabelle , Haines Julien , Faccio Ricardo , Sachse Alexander 
Published: November 2024

AbstractA time resolved in situ X‐ray powder diffraction study using synchrotron radiation allowed for describing the evolution of the zeolite FAU structure during the development of a zeolite‐templated carbon (ZTC) in its porous voids. During the ZTC formation the intensity decrease of most zeolite reflections and the simultaneous rise in intensity of the 222 reflection (of null intensity in the pristine zeolite) was observed. Full pattern profile fitting by Rietveld refinement allowed for achieving a detailed description of the underlying chemistry, with coincident pore filling with carbon atoms in specific positions and framework distortion. Monitoring the intensity profiles of the 222 reflection allowed assessment of the energetics of the ZTC formation. Our results contribute to a better understanding of the phenomena involved on the atomic scale in ZTC synthesis.
Abemaciclib and Letrozole in Metastatic Male Breast Cancer
Authors: Schönfeld Leon , Möhring Christian , Strobel Rouven , Kaatsch Hanns Leonhard , Waldeck Stephan , Wagner Ulrike 
Published: November 2024

ABSTRACTBackgroundMale breast cancer is a very rare disease and only accounts for around 1% of all breast cancers. The treatment strategies are based on those used for breast cancer in women. So far, there is a lack of randomized data to support specific treatment modalities in men. To our knowledge, a therapeutic approach with a combination of letrozole and abemaciclib has not yet been described for a male patient with metastatic breast cancer.Case DescriptionHere, we report a case of a male patient with advanced metastatic breast cancer treated with a combination of letrozole and abemaciclib. The therapy was well tolerated with no reported side effects. The follow‐up CT showed regression of the primary tumor mass and the lymph nodes and soft tissue metastases.ConclusionIn summary, this case report clearly shows the effectiveness of the therapeutic approach and should be discussed for the treatment of future patients.
Synthesis, Structure, and Non‐Linear Optical Properties of New Metal Semi‐Organic Complex: 1,4‐diazabicyclo[2.2.2]octane‐1,4‐diium tris(nitrato)‐silver
Authors: Roy Arindam , Bakshi Souradeep , Kintali Manohor Prasad , Srinivasan P. , Deb Roy Saikatendu 
Published: November 2024

AbstractOptically transparent metal semi organic single crystal of 1,4‐diazabicyclo[2.2.2]octane‐1,4‐diium tris(nitrato)‐silver (DTNS) is synthesized using slow evaporation solution technique. This single crystal is grown with dimension up to using 1,4‐diazabicyclo[2.2.2]octane (DABCO) as solute and water and methanol as solvent in the presence metal salt silver nitrate. Single crystal X‐ray diffraction (XRD) study showed a trigonal structure with space group P3c1 and the sum formula . The composition of metal Silver (Ag) in single crystal is confirmed through Energy Dispersive X‐Ray Analysis. The confirmation of various functional groups in DTNS molecular structure is characterized by Fourier Transform Infrared Spectroscopy (FT‐IR). UV–Visible absorption study showed the cut‐off wavelength at 250 nm with transparency 350–700 nm and the bandgap is about 3.3 eV. The thermal stability and melting point temperature is analyzed by Thermogravimetry‐Differential Scanning Calorimetry (TG/DSC). The third order Non Linear Optics (NLO) efficiency of the synthesized crystal is times greater than that of KDP. All of these analysis implies that DTNS crystal can be beneficial element for non‐linear optical applications.
Unfolding Electrolyzer Characteristics to Reveal Solar‐to‐Chemical Efficiency Potential: Rapid Analysis Method Bridging Electrochemistry and Photovoltaics
Authors: Astakhov Oleksandr , Cibaka Thérèse , Wieprecht Lars , Rau Uwe , Merdzhanova Tsvetelina 
Published: November 2024

AbstractDevelopment of photovoltaic−electrochemical (PV‐EC) systems for energy storage and industry decarbonization requires multidisciplinary collaborative efforts of different research groups from both photovoltaic and electrochemical research communities. Consequently, the evaluation of the solar‐to‐chemical or solar‐to‐fuel efficiency of a new electrolyzer (EC) as a part of a PV‐EC system is a time‐consuming task that is challenging in a routine optimization loop. To address this issue, a new rapid assessment method is proposed. This method employs power balance requirements to unfold the input EC characteristics into the parameter space of PV‐EC systems. The system parameters, composed with the EC output characteristics, yield the solar‐to‐chemical efficiency attainable by the electrolyzer in combination with any PV device under any irradiance at any relative PV‐to‐EC scaling and any mode of power coupling. This comprehensive overview is achieved via a mathematically simple conversion of the EC characteristics in any spreadsheet software. The method, designed to streamline the development and minimize the efforts of both the photovoltaic and electrochemical communities, is demonstrated via the analysis of CO2‐reduction electrolyzer characteristics and verified with dedicated PV‐EC experiments.
High‐Entropy Electrolyte Design for Low‐Temperature Supercapacitors
Authors: Dong Chenxi , Wang Yuan , Luo Zongbin , Dai Chunlong , Lin Zifeng 
Published: November 2024

AbstractSupercapacitors (SCs) are high‐power energy storage devices but often experience reduced electrochemical performance at low temperatures, especially below −30 °C, due to the high freezing points of conventional electrolytes. In this study, we introduce a novel high‐entropy electrolyte (HEE) for supercapacitors that extends operational capabilities over a wide temperature range. The high entropy of the HEE results in an exceptionally low freezing point of −116 °C. With an increased number of solvent molecules in the cation solvation structures, the HEE exhibits high conductivity (3.9 mS cm−1 at −50 °C) and low de‐solvation energy (14.1 kJ mol−1). When incorporated into a carbon‐based SC, the HEE enables a capacitance retention of 58 % at temperatures below −30 °C, compared to 25 °C, while conventional single‐solvent electrolytes retain only 38 %. Additionally, the HEE provides superior high‐rate performance and excellent cycling stability, maintaining 88 % capacitance after 15,000 cycles, compared to 73 % with conventional electrolytes.
A Role for the Microbiota‐Gut‐Brain Axis in Avoidant/Restrictive Food Intake Disorder: A New Conceptual Model
Authors: Schneider Elizabeth , Schmidt Ricarda , Cryan John F. , Hilbert Anja 
Published: November 2024

ABSTRACTObjectiveAvoidant/restrictive food intake disorder (ARFID) is an eating disorder characterized by a severely restrictive diet leading to significant physical and/or psychosocial sequelae. Largely owing to the phenotypic heterogeneity, the underlying pathophysiological mechanisms are relatively unknown. Recently, the communication between microorganisms within the gastrointestinal tract and the brain—the so‐called microbiota‐gut‐brain axis—has been implicated in the pathophysiology of eating disorders. This Spotlight review sought to investigate and conceptualize the possible ways that the microbiota‐gut‐brain axis is involved in ARFID to drive future research in this area.MethodBy relating core symptoms of ARFID to gut microbiota and its signaling pathways to the brain, we evaluated how the gut microbiota is potentially involved in the pathophysiology of ARFID.ResultsWe hypothesized that the restricted type and amount of food intake characteristic of ARFID diminishes gut microbial diversity, including beneficial bacteria and their metabolites capable of signaling to the brain, to modulate biopsychological pathways relevant to ARFID: homeostatic signaling, food reward, interoception, sensory sensitivity, disgust, perseveration, fear‐based learning, and mood. Candidate signaling mechanisms include microbial‐induced effects on inflammation, cortisol, and neurotransmitters such as dopamine and serotonin.DiscussionThrough reviewing the extant evidence, we conceptualized a new theoretical framework of ARFID with an emphasis on microbiota‐gut‐brain axis signaling to inform future research. Although more research is necessary to evaluate this theoretical model, the tentative evidence suggests that therapeutics specifically targeting the gut microbiota for the treatment of ARFID symptomatology warrants more investigation.
The Core of the Matter—Importance of Identification Method and Biological Replication for Benthic Marine Monitoring
Authors: Jensen Mads Reinholdt , Agersnap Sune , Sigsgaard Eva Egelyng , Ávila Marcelo de Paula , Glenner Henrik , Wisz Mary S. , Thomsen Philip Francis 
Published: November 2024

ABSTRACTBenthic macrofauna are important and widely used biological indicators of marine ecosystems as they have limited mobility and therefore integrate the effects of local environmental stressors over time. Recently, environmental DNA (eDNA) analysis has provided a potentially more resource‐efficient approach for benthic biomonitoring than traditional morphology‐based methods. Several studies have compared eDNA with morphology‐based monitoring, but few have compared the two approaches using the exact same sediment cores. In addition, the meiofauna and pelagic organisms obtained as ‘bycatch’ using eDNA have largely been disregarded from comparisons. Here, we address these shortcomings through comparative invertebrate analyses of six sediment sample replicates from each of four stations in Denmark, using eDNA metabarcoding and morphological identification. Our results revealed large variation between the six replicates for both methods and little overlap in taxon compositions between methods. While the morphological dataset was dominated by molluscs and annelids, the eDNA dataset was dominated by arthropods and annelids. Using community composition data, we found that sampling stations could be distinguished both with eDNA and morphology. Finally, we inferred expected total richness from extrapolated accumulation curves of detected taxa from each method. This indicated that eDNA metabarcoding requires less replication than morphology for maximum coverage of diversity to be reached. However, both methods required high levels of replication, and our results on taxonomic composition add to the evidence that morphological and eDNA‐based methods should preferably be used as complimentary tools for marine bioassessment.
Electrochemical Glycerol Valorization Using Tolerant Pt Embedded Bi Platform Electrocatalysts Derived From Photoactive Bismuth Oxyiodide Nanosheet Intermediates
Authors: Lee Hak Hyeon , Choi Ji Hoon , Kim Dong Su , Jeon Sungho , Stach Eric A. , Cho Hyung Koun 
Published: November 2024

ABSTRACTPt‐based electrocatalysts for glycerol oxidation reaction (GOR) exhibit low durability due to the inactivation of Pt through rapid poisoning under oxidative conditions. Thus, bimetallic PtBi was strategically synthesized using BiOI as a photoactive intermediate for the uniform photoelectrodeposition of Pt. The nanostructured Pt–Bi was electrochemically reduced from a Pt/BiOI medium, and the GOR‐activated Pt–Bi electrocatalysts (G–Pt–Bi) were obtained via a subsequent electrochemical activation process. Here, abundant Bi sites in PtBi can prevent Pt poisoning and effectively provide adsorbed OH− for the GOR on Pt sites. Consequently, it allows the operation in low onset potential for GOR with a high mass activity of 13.35 A mgPt
−1 at 0.85 VRHE in alkaline solution. The GOR products obtained using G–Pt–Bi were identified as glycolate and formate by 1H‐nuclear magnetic resonance without the interruption of the hydrogen evolution reaction, and it finally enables the operation of a membrane‐free two‐electrode system. In situ electrochemical impedance spectroscopy demonstrates that the G–Pt–Bi exhibit superior GOR kinetics and higher resistance to Pt inactivation compared with conventional Pt/C. This study suggests a novel design for a G–Pt–Bi architecture in developing durable and high‐mass‐activity Pt catalysts for the GOR.
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The Effectiveness of Curcumin, Resveratrol, and Silymarin on MASLD: A Systematic Review and Meta‐Analysis
Authors: Huang Qian , An Ziming , Xin Xin , Gou Xiaojun , Tian Xiaoting , Hu Yiyang , Mei Zubing , Feng Qin 
Published: November 2024

ABSTRACTPolyphenols, known for their potent antioxidant and anti‐inflammatory properties, have emerged as promising, natural, and safe complementary treatment options for metabolic‐associated steatotic liver disease (MASLD). Among these, curcumin, resveratrol, and silymarin are the most extensively studied; however, their differential effects on MASLD outcomes remain inconclusive. This systematic review and meta‐analysis of RCTs aimed to evaluate the efficacy of curcumin, resveratrol, and silymarin in patients with MASLD. A comprehensive search of seven databases was conducted up to September 2024. Odds ratios (OR), mean differences (MD), and standardized MD (SMD) with 95% confidence intervals (CI) were used to assess treatment effects. Primary outcomes included improvement in hepatic steatosis and ALT activity, while secondary outcomes included changes in AST activity, blood lipids, glucose, BMI, blood pressure, and TNF‐α. Twenty‐seven studies involving 1691 participants were included. Curcumin significantly improved hepatic steatosis compared to placebo (OR: 4.39, 95% CI: 1.45 to 13.27, p = 0.009), followed by resveratrol (OR: 3.18, 95% CI: 1.20 to 8.42, p = 0.02). Silymarin exhibited the strongest effect in reducing ALT levels (MD: −6.44 U/L, 95% CI: −10.03 to −2.85, p = 0.0004), with curcumin (MD: −5.88 U/L, 95% CI: −9.05 to −2.72, p = 0.0003) also showing significant reductions. A marked reduction in AST was observed with silymarin (MD: −6.99 U/L, 95% CI: −8.56 to −5.42, p < 0.00001), followed by curcumin (MD: −3.36 U/L, 95% CI: −5.35 to −1.36, p = 0.001). Furthermore, curcumin intake significantly improved metabolic indicators (TG, FBG, HOMA‐IR, and BMI). Resveratrol reduced FBG and DBP. Curcumin had the strongest effect on hepatic steatosis and improved both transaminase levels and metabolic markers. Silymarin demonstrated the greatest reduction in transaminase levels, while resveratrol showed modest benefits in steatosis and metabolic improvements. The three polyphenols appear as promising therapeutics for the treatment of MASLD.
Photocatalytic Degradation of Methylene Blue Dye using PANI‐CuFe2O4 Nano Composite
Authors: Saha Tisa Rani , Habib Md. Ahsan , Ali S. M. Imran , Naime Jannatul , Mahiuddin Md. , Sarkar Shaheen M. , Khan Md. Abu Rayhan , Karim Kaykobad Md Rezaul 
Published: November 2024

AbstractThe present perspective accentuates the synthesis of PANI‐CuFe2O4 (PCF) nanocomposite, and photocatalytic degradation of methylene blue (MB) dye using a synthesized composite. The stable PCF is confirmed and characterized by analytical techniques, namely, fourier transform infrared (FTIR) and X‐ray photoelectron (XPS) spectroscopy, X‐ray diffraction (XRD), energy‐dispersive X‐ray (EDX), scanning electron microscopy (SEM), and vibrating sample magnetometry (VSM) analysis. The synthesized PCF nanocomposites are significantly crystalline in nature, having magnetic saturation of 10.47 emu g−1, and monoclinic crystalline structure as well as the size of nanocomposite is 39.54 nm verified by XRD pattern. SEM analysis revealed a regular porous and rough surface of nanocomposite. In addition, the nanocomposite divulged the remarkable efficient elimination of MB dye with maximum removal of 96% with good fitting of Langmuir isotherm, indication of monolayer formation on the catalyst surface through the interaction between nanocomposite and dye molecule. The adsorption kinetics bolstered the pseudo‐second‐order kinetic model, suggesting the adsorption process proceeded by chemisorption. The most notable feature of the nanocomposite is the reusability and good stability after several cycles, maintaining 90% after five cycles.