bluuebunny/crossref_metadata_2025_split huggingface dataset:
Atomically Dispersed Fe Motif‐based Electrocatalysts for Hydrogen Peroxide Synthesis
Authors: Zuo Sijin , Xue Wendan , Zhang Yinqiao , Chen Jianqiu , Lin Zhiqun 
Published: November 2023

AbstractThe cathodic two‐electron (2e−) oxygen reduction reaction (ORR) has garnered much attention for electrosynthesis of hydrogen peroxide (H2O2). The transition metal single‐atom catalysts (SACs) with tunable geometry structure and electron layout have displayed promising potential in this process. Notably, atomically dispersed Fe−based electrocatalysts have been recognized as high‐activity yet poor‐selectivity catalysts in 2e− ORR due to the high binding energy with the intermediates to break the peroxy bond into H2O. In this Concept, we briefly review the Fe SAC in 2e− ORR for H2O2 production by introducing their fundamental mechanism, chemical process, experimental advancements, and practical applications. The issues encountered and corresponding suggestions are discussed. The customized and tailored isolated Fe motif could fulfill the high activity, selectivity and stability system for H2O2 synthesis.
Stimuli‐Responsive Boronate Formation to Control Nucleic Acid‐Based Functional Architectures
Authors: Smietana Michael , Müller Sabine 
Published: November 2023

AbstractBoronate esters, formed by the reaction of an oligonucleotide bearing a 5′‐boronic acid moiety with the 3′‐terminal cis‐diol of another oligonucleotide, support the assembly of functional nucleic acid architectures. Reversible formation of boronate esters occurs in templated fashion and has been shown to restore the activity of split DNA and RNA enzymes as well as a split fluorescent light‐up aptamer. Apart from their suitability for the design and application of split nucleic acid enzymes and aptamers in the field of biosensing, boronate esters may have played an important role in early life as surrogates of the natural phosphodiester bond. Their formation is reversible and thus fulfills an important requirement for biological self‐assembly. Here we discuss the general concept of stimuli‐dependent boronate formation and its application in biomolecules with implications for future research.
Efficacy and safety of ibuprofen gargle for postoperative pain after mandibular third molar extraction: A phase II, placebo‐controlled, double‐blind, randomized crossover trial
Authors: Ioroi Takeshi , Kakei Yasumasa , Ito Takahiro , Shirai Tatsuya , Okazaki Yutaro , Hasegawa Takumi , Akashi Masaya , Yano Ikuko 
Published: November 2023

AbstractObjectiveThis study was designed to evaluate the postoperative efficacy and safety of using an ibuprofen gargle as a pain management strategy for patients who have undergone mandibular third molar extraction. We also ensured that the quality of treatment was not compromised throughout the study.Material and MethodsPatients were randomized in a 1:1 ratio into two groups: the ibuprofen–placebo (IP) group and the placebo–ibuprofen (PI) group. On postoperative Day (POD) 1, the IP group initiated ibuprofen administration, while the PI group started taking placebo. On POD 2, the IP group switched to using placebo, whereas the PI group switched to ibuprofen. From PODs 3–5, both groups were prescribed ibuprofen gargle. The primary endpoint was within‐subject visual analog scale (VAS) score before and 5 min after the first use of the ibuprofen or placebo gargle on PODs 1 and 2 (ΔVAS5_ibuprofen − ΔVAS5_placebo). The incidence and severity of adverse events were assessed using the Common Terminology Criteria for Adverse Events version 5.0 and a subjective rating scale.ResultsThis study enrolled 40 patients. The within‐subject VAS5 of the IP and PI groups were 1.25 ± 12.0 and −5.26 ± 8.93 mm, respectively. The treatment effect of ibuprofen gargle was −2.01 ± 10.62 mm (p = .246). None of the patients in each group presented with serious adverse events or clinically significant complications (including dry sockets) after extraction. Transient adverse events, such as throat tingling and oral discomfort (grade 1), were observed in each group.ConclusionIbuprofen gargle was safe but did not provide significant pain relief when used after mandibular third molar extraction.
Energy–exergy analysis for performance improvement of Brayton–Rankine combined cycle system by utilizing a solar absorption refrigeration cycle (case study: Kahnuj Combined Cycle Power Plant)
Authors: Esfandiari Moslem , Pourfayaz Fathollah , Kasaeian Alibakhsh , Gholami Ali 
Published: November 2023

AbstractGas–steam combined cycle power plants are the most efficient electricity‐generation units based on fossil fuels. However, these power plants are prone to efficiency decrease in hot climates as high ambient temperatures adversely influence the gas turbine's output. The present study investigated the effect of incorporating a solar absorption refrigeration (SAR) system into an actual combined cycle power plant for the first time. First, the energy and exergy analyses were performed using THERMOFLOW software. Then, the influence of the ambient temperature (10°C–52.5°C) on the power plant's performance and its components was investigated. The SAR system was then used to cool the compressor's input air and improve the power generation capacity by employing TRNSYS software. The results showed that the power plant reached its maximum efficiency at an ambient temperature of 26.6°C. However, its overall efficiency and net power generation were dropped with a further increase in the ambient temperature. Employing the SAR system for each gas turbine in the power plant on a sunny day until 2 p.m. would decrease the compressor's input air temperature. For example, for the refrigeration capacities of 450, 700, and 1000 tons for each gas turbine, the temperature was reduced by nearly 3°C, 5°C, and 7°C, respectively. Under the same condition, power generation capacity improved by 12.5, 24, and 32.5 MW, and the overall efficiency rose by 0.6%, 1.4%, and 2%. Such an increase in power and efficiency occurred during peak demand, which was significant.
Opportunities, challenges, and state of the art of flexible heat‐pipe heat exchangers: A comprehensive review
Authors: V. K. Nithin 
Published: November 2023

AbstractHeat pipes (HPs) play a pivotal role in efficiently managing the thermal challenges posed by high heat flux devices. To facilitate their operation at extremely low temperatures, specialized working fluids with low‐boiling points are a necessity. HPs serve as efficient heat exchanger (HEX) in diverse applications, such as heat pumps and heat‐transfer components. In the realm of space applications, HP is indispensable for cooling electronic components within two‐phase thermal control systems. Notably, the recent significant reduction in HP production costs has paved the way for synergizing HP with HEX, promising substantial energy savings. This comprehensive review centers its focus on the advancements in HEX‐based flexible HP systems. It critically evaluates various performance models and investigates key findings from a multitude of literature papers that pertain to HEX applications. The review encompasses a wide spectrum of innovations, including conventional, pulsating, and thermosyphons (gravity‐assisted) in HEX. It further explores studies on recuperative and regenerative HEX configurations. The surveyed literature underscores the critical role played by the choice of operating fluid and heat load in significantly influencing HP performance. This study offers a comprehensive understanding of key outcomes, strengths, limitations, and specific applications of HP and HEX. The review also highlights the significance of operating fluid selection and considerations related to heat load while outlining exciting opportunities for future research in this domain. Moreover, it introduces several novel concepts for future studies in pertinent domains, offering promising directions for further exploration within this field.
Characterization of isomeric acetyl amino acids and di‐acetyl amino acids by LC/MS/MS
Authors: Ramunaidu Addipilli , Pavankumar Pallerla , Ragi Nagarjunachary , Ramesh Rodda , Jagannatham Medicharla V. , Sripadi Prabhakar 
Published: November 2023

AbstractAcetylation of amino acids is important in the molecular biology and biochemistry because they are part of several metabolic pathways. N‐acetyl amino acids can form through degradation of N‐acetyl proteins or direct acetylation of amino acids by specific enzymes. Acetylation of α‐amino acids can be either on the alpha –NH2 or on the side‐chain functional group, where both the acetyl products are isomeric and can show different biological roles. Theoretically, all proteinogenic α‐amino acids are expected to undergo acetylation and they can be a part of metabolome. Thus, it is essential to detect and identify all the possible acetylated products of α‐amino acids for untargeted metabolomics studies. In this study, it is aimed to synthesize and characterize all acetylated products of natural α‐amino acids. A total of 20 Nα‐acetyl amino acids (1–20), six side‐chain acetyl amino acids (21–26), and six diacetyl amino acids (27–32) were synthesized and characterized by liquid chromatography‐electrospray ionizationtandem mass spectrometry (LC–ESI–MS/MS). The [M + H]+ ions of all the acetyl amino acids were subjected to MS/MS experiments to obtain their structural information. Apart from the expected loss of (H2O + CO) (immonium ions), most of the acetyl amino acids specifically showed loss of H2O and loss of a ketene (C2H2O) from [M+H]+ ions. The side‐chain acetyl amino acids showed a clear‐cut structure specific fragment ions that enabled easy differentiation from their isomeric Nα‐acetyl amino acids. The other isomeric/isobaric acetyl amino acids could also be easily distinguished by their MS/MS spectra. The MS/MS of immonium ions of the acetyl amino acids were also studied, and they included characteristic products reflecting the structures of parent Nα‐acetyl and side‐chain acetyl amino acids.
Deep residual network for soil nutrient assessment using optical sensors
Authors: Lincy C. T. , Lenin Fred A. , Jalbin J. 
Published: November 2023

AbstractBackgroundFarmers need information regarding soil fertility at every location of their fields to attain a higher level of precision in nutrient management. Nonetheless, the acquisition and processing of soil samples are labor‐intensive and time‐utilizing, and the related cost remains high‐priced to farmers. Artificial intelligence is the most speedily growing area combined into approximately all aspects of human life. Soil macronutrients like nitrogen (N), phosphorous (P), and potassium (K) have a significant role in precision agriculture. There is a huge need for powerful and rapid measurement systems to measure accurately the macronutrients in the soil for optimal crop productivity, especially in site‐specific crop management system, where the application of fertilizer can be regulated spatially with respect to crop demand. Nevertheless, it can present a research direction to design an advanced scheme in order to predict the properties of soil. A portable sensor device is a basic need of an agriculture system for the accurate and rapid monitoring of soil macronutrients.AimIn this research, the soil nutrients identified from the collected soil samples using optical sensors are evaluated for their accuracy using a deep learning approach.MethodsA deep residual network is exploited for the soil nutrient prediction after augmenting the gathered soil data. Finally, various performance evaluation measures, like mean squared error (MSE), mean absolute error (MAE), and root mean squared error (RMSE), are calculated to detect how accurately the sensor predicted the soil nutrients.ResultsFrom the experimental analysis, it is stated that the proposed model attained low MSE value of 4.59 e−09, the low RMSE value of 6.78 e−05, and the low MAE value of 4.66 e−05 for N prediction. Likewise, the proposed model attained the least MSE value of 1.41 e−05, the least RMSE value of 0.0003, and the least MAE value of 0.0001 for P prediction.ConclusionFinally, for K prediction, the proposed model achieved the least MSE value of 1.54 e−06, least RMSE value of 1.24 e−03, and the least MAE value of 1.38 e−05.
Cyclic utilization rates of the FKM guidelines: Definition and proposal of an efficient iteration procedure
Authors: Fiedler M. , Weichert J. , Rennert R. 
Published: November 2023

AbstractDie 2019 erschienene FKM‐Richtlinie nichtlinear enthält aktuell noch keine Definition für einen zyklischen Auslastungsgrad in Lastrichtung. Grund hierfür ist unter anderem das nichtlineare Materialverhalten, das die Berechnung eines Auslastungsgrades in Lastrichtung erschwert. Um die Definition eines zyklischen Auslastungsgrades zu ermöglichen, wird zunächst der zyklische Auslastungsgrad nach der FKM‐Richtlinie Rechnerischer Festigkeitsnachweis genauer untersucht und ein Vorschlag für ein effizientes Iterationsverfahren für die Berechnung des Auslastungsgrades basierend auf der konsequenten Miner‐Regel gemacht. Dabei kann gezeigt werden, dass dieses Iterationsverfahren eine vergleichbare Treffsicherheit wie das Newton‐Verfahren aufweist. Anders als der Rechnerische Festigkeitsnachweis berücksichtigt die FKM‐Richtlinie nichtlinear bei der Berechnung der Bauteillebensdauer elastisch‐plastisches Materialverhalten. Dadurch entsteht eine Nichtlinearität in der Berechnung, die eine Definition einer Zielfunktion für das Newton‐Verfahren schwierig macht. Dem Anwender bleibt hier aktuell nur der Weg einer Intervallschachtelung, die jedoch mit erheblichem Rechenaufwand verbunden ist. Das neu eingeführte effiziente Iterationsverfahren benötigt hingegen nicht die Definition einer Zielfunktion und deren Ableitung, um den nächsten Iterationswert zu berechnen. Die Einführung des effizienten Iterationsverfahrens ermöglicht so erstmalig die schnelle Berechnung eines zyklischen Auslastungsgrades nach der FKM‐Richtlinie nichtlinear, der innerhalb dieses Beitrages definiert und für den ein Abbruchkriterium empfohlen wird.
Prediction of mechanical properties of dental composite materials using machine learning algorithms
Authors: Suryawanshi A. , Behera N. 
Published: November 2023

AbstractThe durability of dental materials, when used in the mouth, is determined by their mechanical qualities. Composite resins are frequently used in dental restorations. Flexural tests and Vickers micro‐hardness tests on selected dental composite materials were performed in a universal testing machine (ASTM D790‐10 standard) and Vickers micro‐hardness tester (ASTM E384‐11e1standard). In this study, four different dental composite material samples are employed. The samples are dipped in a chewing tobacco solution for a few days before being removed and put through the tests. Also in this work, four different machine learning models were tested to see how well they could analyze the mechanical characteristics of dental composite materials when submerged in a chewing tobacco solution. For predicting the mechanical properties of dental composite specimens, four distinct machine‐learning models (extreme gradient boosting (XGBoost), adaptive boosting (AdaBoost), random forest, and k‐nearest neighbors (KNN) have been selected. AdaBoost machine learning model yields a coefficient of regression value of 0.9903 in predicting the flexural strength, whereas the XGBoost model gives a coefficient of regression value of 0.9890 in predicting the Vickers hardness distinctly better than the other models.
Design and characterization of novel iron‐based amorphous brazing foils based on thermodynamic predictions
Authors: Bobzin K. , Heinemann H. , Erck M. , Stryzhyboroda O. , Vinke S. 
Published: November 2023

AbstractAmorphous brazing foils facilitate the brazing process due to their high flexibility. Nickel‐based amorphous brazing foils are already in industrial use. However, as the raw material price for nickel is continuously increasing, more cost‐efficient iron‐based amorphous brazing foils are currently the focus of research. In this study, three alloys in the quinary system iron‐nickel‐chrom‐silicon‐boron will be investigated, which, according to previous predictions of newly developed thermodynamic databases, should exhibit an increased glass forming ability. The production and the characterization of the new iron‐based foils will in turn serve to validate the newly developed thermodynamic databases. With one of the alloys, a new iron‐based partly amorphous brazing foil can successfully be produced, but the other two alloys are too brittle for the brazing process. The results of this study not only show that the newly developed thermodynamic database of the quinary iron‐nickel‐chrome‐silicon‐boron alloy system can provide suitable prediction on the microstructure and melting behavior of the corresponding alloys, but also that it is possible to produce a quaternary iron‐based partly amorphous foil.
Spektroskopie: Im nahen Infrarot
Authors: Ehrensberger Christian 
Published: November 2023

AbstractEs sind zwei Systeme auf dem Markt, die Ausgangsstoffe mit Nahinfrarotspektroskopie prüfen. Damit spart ein Apothekenlabor nasschemische Analysen. Auch Anwendungen in der Industrie oder bei deren Dienstleistern sind denkbar.
SusChemSys: ein lebendiges Netzwerk für nachhaltige Chemie
Authors: Sackers Nina 
Published: November 2023

AbstractEin interdisziplinäres Netzwerk an der Schnittstelle zwischen Chemie und Verfahrenstechnik begleitet die Ausbildung ausgewählter Doktorand:innen, die an zehn Forschungseinrichtungen und Hochschulen in Nordrhein‐Westfalen forschen. Partner sind Industrieunternehmen; gemeinsame Basis ist Green Chemistry.
Nachruf: Hans Sillescu (1936 – 2023)
Authors: Antonietti Markus , Bartsch Eckhard , Saalwächter Kay , Schärtl Wolfgang , Spiess Hans Wolfgang , Völkel Rüdiger 
Published: November 2023

AbstractAls physikalischer Chemiker erforschte Hans Sillescu dynamische Prozesse in Flüssigkeiten und Polymeren. Ebenso war er ein Mensch von profunder Bildung in Philosophie und Literatur.
Prozesssicherheit: Pumpen fürs Herzstück einer Chemieanlage
Authors: Anstöter Stefan 
Published: November 2023

AbstractPumpen sind Schlüsselkomponenten chemischer Prozesse und beeinflussen die Sicherheit der gesamten Anlage. Wie Doppelmembranpumpen Leistungsfähigkeit und Ausfallschutz verbessern.
Standardizing vitamin D supplementation to minimize deficiency in children with intestinal failure
Authors: Zhong Jade , Martins Debby S. , Piper Hannah G. 
Published: November 2023

AbstractBackgroundVitamin D deficiency is present in 40%–70% of children with intestinal failure (IF), yet there are no published guidelines for repleting and maintaining vitamin D levels in this population. The purpose of this study is to evaluate the efficacy of a standardized vitamin D algorithm in reducing the incidence of deficiency.MethodsA retrospective chart review was performed in children with IF who had at least one serum vitamin D (25‐hydroxyvitamin D3) measurement. Vitamin D levels were compared prealgorithm (2014–2016) and during active‐algorithm use (2018–2020). Vitamin D levels were classified as severe deficiency (<12.5 nmol per L), mild deficiency (12.5–39 nmol/L), insufficiency (40–74 nmol/L), optimal (75–224 nmol/L), or toxicity (>225 nmol/L). Descriptive and comparative statistics were calculated using a linear mixed‐effects model, with P < 0.05 considered significant.ResultsTwenty‐eight children with IF were enrolled, which included 157 vitamin D measurements (58 in the prealgorithm group and 98 in the active‐algorithm group). Algorithm compliance was 4% in the prealgorithm group and 61% in the active‐algorithm group. Active‐algorithm patients had improved vitamin D levels in all categories compared with those of prealgorithm patients (mild deficiency: 8% vs 9%; insufficiency: 41% vs 72%; optimal: 50% vs 19%). Algorithm use was found to have a statistically significant effect on serum vitamin D levels (β = 21.58; 95% confidence interval, 14.11–29.05; P < 0.005).ConclusionsChildren with IF are at high risk for vitamin D deficiency. Use of a standardized vitamin D supplementation algorithm was associated with increased serum vitamin D levels.
Effect of vitamin A on maternal, fetal, and neonatal outcomes: An overview of deficiency, excessive intake, and intake recommendations
Authors: Ishaq Muhammad Umer , Kunwar Digbijay , Qadeer Abdul , Komel Aqsa , Safi Adnan , Malik Aqsa , Malik Linta , Akbar Anum 
Published: November 2023

AbstractVitamin A imbalance during pregnancy and lactation is a global public health concern with potentially negative consequences for fetuses and neonates. Inadequate vitamin A intake during this critical period can lead to anemia, weakened immune function, night blindness, and increased susceptibility to infections. Conversely, excessive intake of vitamin A can result in birth defects, hypercalcemia, and psychiatric symptoms. This review aims to identify risk factors contributing to vitamin A deficiency in pregnant women and its impact on maternal, fetal, and neonatal outcomes. It also examines the effects of high‐dose vitamin A supplementation during pregnancy on offspring health. By analyzing existing literature and recommendations, the review emphasizes the significance of vitamin A in the development of various body systems and organs. It provides a comprehensive overview of the effects of vitamin A during pregnancy and lactation, encompassing deficiencies, excessive intake, and supplementation guidelines. The need for further research in this field is highlighted. In conclusion, maintaining a balanced vitamin A status is crucial during pregnancy to promote better outcomes for fetuses and newborns. Effective monitoring and intervention strategies are essential to address vitamin A deficiency and excess in pregnant women, thereby improving fetal and neonatal health.
Influence of a biodegradable contaminant on the mechanical recycling of a low‐density polyethylene sample
Authors: Titone Vincenzo , Botta Luigi , Mistretta Maria Chiara , La Mantia Francesco Paolo 
Published: November 2023

AbstractMechanical recycling of oil‐derived polymers is certainly our best option to reduce pollution, save raw materials, and protect ourselves and the environment from the adverse effects of waste disposal. However, the presence of contaminants, including other types of plastics, that are mixed in during the recycling collection process or during the mechanical waste sorting stage could adversely affect the quality of the recycled product, leading to the recycling of a poor‐quality secondary material. In this work, the influence of a biodegradable contaminant on the mechanical recycling of a low‐density polyethylene (LDPE) sample was investigated by rheological (shear and non‐isothermal elongation) and mechanical analyses. The results showed that 2% of the contaminant is able to influence the rheological, shear, and isothermal elongation properties of recycled LDPE, while the results of the mechanical tests showed that after one extrusion cycle, the main tensile properties were not significantly affected by the presence of the contaminant, but after only two cycles of extrusions, some significant reduction in the final properties began to appear. In short, the presence of 2% of a biodegradable co‐polyester in a LDPE matrix gives rise to a more pronounced decay of the rheological and mechanical properties, but, after two extrusion steps, both rheological and mechanical properties seem still useful for the production of film.Highlights
To what extent the contaminant affects the quality and usability of the recycled LDPE;
The effects of contamination on the LDPE sample during the recycling process;
Reduction in properties, compromising product quality;
Compromised product quality after only two additional processing steps;
Important implications for the recycling industry.