bluuebunny/crossref_metadata_2025_split huggingface dataset:
Advanced Biomimetic and Biohybrid Magnetic Micro/Nano‐Machines
Authors: Murali Nandan , Das Shashank Bhushan , Yadav Satyam , Rainu Simran Kaur , Singh Neetu , Betal Soutik 
Published: May 2024

AbstractBiomimetic and biohybrid micro/nano‐structures involve the replication and creation of technologies, structures, and materials based on biological systems at the micrometer and nanometer scale. These strategies harness the natural biological principles to develop innovative treatment methods and advanced microstructure devices for noninvasive therapies. In this study, a detailed overview of fabrication processes, magnetically assisted locomotive techniques, and potential applications of biomimetic and biohybrid micro/nano‐machines are presented. The latest advancements in magnetically actuated biomimetic structures, such as annelid‐worm‐like microswimmers, jellyfish‐shaped microparticles, fish‐shaped microswimmers, and walnut‐shaped micromotors are explored. Additionally, the magnetic biohybrid systems, including sunflower seed‐based micro‐perforators, nanomotors extracted from the bamboo stem, sperm cell‐based micromotors, bacteria‐based robots, scaffold‐based microrobots, DNA‐based micromotors, microalgae‐based microswimmers, and red blood cell‐based microswimmers are also examined. A thorough investigation of the magnetically assisted locomotive behavior of these microstructure devices in biological Newtonian fluids, featuring cork‐screw motion, undulatory motion, surface wrinkling motion, traveling wave‐like motion, and ciliary stroke motion is discussed. Furthermore, unprecedented and innovative treatment methods developed using these minuscule devices such as cervical cancer treatment using tetrapod hybrid sperm micromotors, tissue regeneration using silk fibroin protein‐based magnetic microscale scaffolds, and doxorubicin drug delivery using mushroom‐based microrobots is extensively presented.
On the History of the Lennard‐Jones Potential
Authors: Lenhard Johannes , Stephan Simon , Hasse Hans 
Published: May 2024

AbstractThis contribution describes two episodes from the history of the Lennard‐Jones (LJ) potential. The first, located in the 1920s and 1930s, is about a computational approach that aimed at pragmatics rather than truth and that remained remarkably robust when quantum theory arrived. The second episode covers the birth of the LJ substance in 1964. Due to increasing interest in computer methods, simulated model substances became objects on their own, the prime targets of investigation. The history of the LJ potential and substance exemplifies the dynamic relationship between prediction, theory, mathematization, and computer instrumentation.
Structural Improvement and Numerical Simulation of a Perforated Distributor in an Adsorption Tower
Authors: Hao Zhao , Zhang Tao , Lv Li , Tang Wenxiang , Tang Shengwei 
Published: May 2024

AbstractA “closed” perforated plate distributor was proposed to improve the gas distribution in an industrial adsorption tower. Compared with the industrial perforated plate distributor, the designed distributor restricts the space for the disordered movement of gas under the perforated plate. The new distributor effectively converts the gas from the initial axial flow on the inlet section to the axial flow on the tower section to improve the gas uniformity. In addition, the gas velocity at the edge of the inlet cross section of the adsorbent bed is increased by opening holes on the bottom plate. The uniformity of gas distribution is further improved. The simulation method in this study and the distribution performance of the “closed” perforated plate distributor have been verified by experiments.
How Metal/Insulator Interfaces Enable an Enhancement of the Hydrogen Evolution Reaction Kinetics
Authors: Maier Thomas L. , T. de Kam Lucas B. , Golibrzuch Matthias , Angerer Tina , Becherer Markus , Krischer Katharina 
Published: May 2024

AbstractThe nanostructuring of electrodes is a common way of increasing electrocatalytic activity. Yet, the fact that the presence of insulating material in nanostructured composites can have a positive effect on efficiency was an unexpected recent finding. The rate enhancement has been linked to different electric fields at the insulator and metal interfaces, facilitating enhanced transport of reaction products into the bulk electrolyte. In this article, we further uncover the origin of the rate enhancement with parameter studies and simulations. We experimentally investigate various parameter dependencies of the alkaline Hydrogen Evolution Reaction (HER) on well‐defined nanometer‐sized Au arrays embedded in a silicon nitride insulating layer. We find a significant enhancement of the HER for all experimental conditions and opposite activity trends with pH, electrolyte concentration and the cationic species compared to a continuous Au electrode. Using a mean field model, we quantify the electrostatic interfacial pressure above the Au and the insulator patches. Combining the double layer simulations with rate equations, we demonstrate that all parameter variations can be consistently explained by the fact that the double layer structure above the insulator patches is much less rigid than above the metal islands and is independent of the applied potential.
Materials for 3D Printed Metal and Metal‐Ion Batteries
Authors: García Rodríguez Tomás , Medina Santos Jesus I. , Coelho João , Pinilla Sergio 
Published: May 2024

AbstractThe review provides an overview of the latest innovations, trends, and challenges in the field of 3D‐printed metal and metal‐ion batteries. It focuses on the materials used in the printing of batteries, including electrodes, electrolytes, and other electroactive components. Compared to other high‐quality reviews on the topic, this review provides a broader selection of materials that are expected to gain attention in the next few years, such as redox‐active polymers and metal‐organic frameworks. This work gives an overview and insight into the latest trends in printing techniques as well as a statistical review of their uses and strengths. We have also gathered the latest works done for each of the material types, and we have taken the opportunity to put them in context and use them to exemplify in which direction is the field going. The review concludes with a critical view of the challenges ahead and a discussion of the direction that the field is taking as well as the external factors that might help to define its future.
Revealing the origin of single‐atom W activity in H2O2 electrocatalytic production: Charge symmetry‐breaking
Authors: Jing Changfei , Ding Junyang , Jia Peipei , Jin Mengmeng , Zhou Lihui , Liu Xijun , Luo Jun , Dai Sheng 
Published: May 2024

AbstractThe low‐energy electrochemical production of hydrogen peroxide (H2O2) has garnered significant attention as a viable alternative to traditional industrial routes, with the goal of achieving carbon neutrality. For their H2O2 selectivity in the two‐electron oxygen reduction reaction (ORR), the coordination environment of tungsten (W)‐based materials is critical. In this study, atomically dispersed W single atoms were immobilized on N‐doped carbon substrates by a facile pyrolysis method to obtain a W single‐atom catalyst (W‐SAC). The coordination environment of an isolated W single atom with a tetra‐coordinated porphyrin‐like structure in W‐SAC was determined by X‐ray photoelectron spectroscopy and X‐ray absorption spectroscopy analysis. Notably, the as‐prepared W‐SAC showed superior two‐electron ORR activity in 0.1 M KOH solution, including high onset potential (0.89 V), high H2O2 selectivity (82.5%), and excellent stability. By using differential phase contrast‐scanning transmission electron microscopy and density functional theory calculations, it is revealed that the charge symmetry‐breaking of W atoms changes the adsorption behavior of the intermediates, leading to enhanced reactivity and selectivity for two‐electron ORR. This work broadens the avenue for understanding the charge transfer of W‐based electrocatalytic materials and the in‐depth reaction mechanism of SACs in two‐electron ORR.
Low‐lying LUMO Boosts Conductance in Antiaromatic Dibenzopentalene Versus Aromatic Analogues
Authors: Schmidt Maximilian , Abellán Vicente Lydia , González M. Teresa , Zotti Linda A. , Esser Birgit , Leary Edmund 
Published: May 2024

AbstractAntiaromaticity is a fundamental concept in chemistry, but the study of molecular wires incorporating antiaromatic units is limited. Despite initial predictions, very few studies show that antiaromaticity has a beneficial effect on electron transport. Dibenzo[a,e]pentalene (DBP) is a stable structure that displays appreciable antiaromaticity within the five‐membered rings of the pentalene core. We have investigated derivatives of DBP furnished with pyridyl (Py) and F4‐pyridyl (PyF4) anchor groups, and compared the conductance with purely aromatic phenyl and anthracene analogues. We find that the low‐bias conductance of DBP‐Py is approximately 60 % larger than that of the anthracene analogue Anth‐Py and 250 % larger compared to the phenyl derivative Ph‐Py. This is due to a better alignment of the LUMO with the gold Fermi level, which we confirm by conductance‐voltage spectroscopy where the conductance of DBP‐Py shows the greatest voltage‐dependence. The F4‐pyridyl compounds, which have lower LUMO energies compared to the pyridyl analogues, did not, however, form detectable molecular junctions. The strongly electron‐withdrawing fluorine atoms reduce the donor capability of the nitrogen lone‐pair to the point where stable N−Au bonds no longer form.
Exploring a Lux® i‐Amylose‐3 column in normal phase and polar‐organic mode for chiral separation of cathinone derivatives and pyrovalerones using high‐performance liquid chromatography
Authors: Seibert Elisabeth , Götz Katharina , Schmid Martin G. 
Published: May 2024

AbstractEach year, new psychoactive substances appear on the global drug market leading to constant changes. Most of these compounds with stimulating effect possess a chiral center, thus leading to two enantiomers with presumably different pharmacological properties. Among them, synthetic cathinones, often misleadingly traded as “bath salts,” play an important role. There is little knowledge about the distinct effect of the enantiomers. The aim of this study was to test a commercially available Lux® i‐Amylose‐3 column by HPLC‐UV for enantiorecognition of cathinone derivatives. Overall, 80 compounds were tested in normal phase mode, where 75 substances were separated under initial conditions. After method optimization, at least partial separation was achieved for the remaining compounds. The same set of substances was measured in polar‐organic mode, where 63 analytes were resolved into their enantiomers under initial conditions with very short retention times. Both modes showed complementary results for the individual compounds. Furthermore, the tested methods proved to be suitable for differentiation of positional isomers, which can be useful for drug checking programs. All measurements were carried out under isocratic conditions, and intraday and interday repeatability tests were performed.
Evaluation of the effect of different core substrates on the accuracy of intraoral scanners
Authors: Khoshkhahesh Maryam , Enteghad Shabnam , Aghasadeghi Kiana , Farzin Mitra , Taghva Masumeh , Mosadad Seyed Ali 
Published: May 2024

AbstractBackgroundThe aim of this study was to determine if different types of core substrates have any effect on the trueness and precision of digital intraoral impressions.Material and MethodsA customized typodont with four similar cores of natural dentine, composite, metal (Ni‐Cr), and zirconia in the position of premolars was fabricated. The study model was scanned five times with two types of intraoral scanners (Carestream 3600 and 3Shape Trios 3), and a reference standard scan was obtained using a laboratory scanner (3shape D1000). A metrology software (Geomagic X) was used to align the data of experimental scans and the reference scan to determine deviation values (trueness). Precision values were calculated with random superimposition in each intraoral scanner group. The Kruskal–Wallis test was used to compare differences between different substrates, and the Mann–Whitney test was used to compare the average values between the two scanners.ResultsTrios 3 was found to be significantly truer and more precise than Carestream 3600 (p value = .005, <0.001). There were no significant differences in the trueness of different substrates when they were scanned by Trios 3, while different materials showed significantly different trueness values in the Carestream 3600 group (p value = .003). Dentin showed the best trueness, and zirconia performed worse than other substrates. Regarding the precision of the scanners, neither of the scanners was affected by the type of scanning substrate.ConclusionFor Carestream 3600, substrate type did impact the trueness of intraoral scans, with dentin and zirconia showing the highest and lowest accuracy, respectively, while Trios 3 was similarly accurate across all substrates. Trios 3 had both higher trueness and precision than Carestream 3600.
T‐cell immunity against Severe Acute Respiratory Syndrome Coronavirus 2 proteins in patients with type 1 diabetes
Authors: Palmieri Camillo , Santamaria Gianluca , Cristiani Costanza Maria , Garofalo Cinzia , Tham Christine Y. L. , Abatino Antonio , Cutruzzolà Antonio , Parise Martina , Aversa Ilenia , Malanga Donatella , Gallo Raffaella , Cuda Giovanni , Viglietto Giuseppe , Costanzo Francesco , Bertoletti Antonio , Gnasso Agostino , Irace Concetta 
Published: May 2024

AbstractAimsIndividuals with type 1 diabetes (T1D) do not appear to have an elevated risk of severe Coronavirus Disease 19 (COVID‐19). Pre‐existing immune reactivity to Severe Acute Respiratory Syndrome Coronavirus 2 (SARS‐CoV‐2) in unexposed individuals may serve as a protective factor. Hence, our study was designed to evaluate the existence of T cells with reactivity against SARS‐CoV‐2 antigens in unexposed patients with T1D.Materials and methodsPeripheral blood mononuclear cells (PBMCs) were collected from SARS‐CoV‐2 unexposed patients with T1D and healthy control subjects. SARS‐CoV‐2 specific T cells were identified in PBMCs by ex‐vivo interferon (IFN)γ‐ELISpot and flow cytometric assays. The epitope specificity of T cells in T1D was inferred through T Cell Receptor sequencing and GLIPH2 clustering analysis.ResultsT1D patients unexposed to SARS‐CoV‐2 exhibited higher rates of virus‐specific T cells than controls. The T cells primarily responded to peptides from the ORF7/8, ORF3a, and nucleocapsid proteins. Nucleocapsid peptides predominantly indicated a CD4+ response, whereas ORF3a and ORF7/8 peptides elicited both CD4+ and CD8+ responses. The GLIPH2 clustering analysis of TCRβ sequences suggested that TCRβ clusters, associated with the autoantigens proinsulin and Zinc transporter 8 (ZnT‐8), might share specificity towards ORF7b and ORF3a viral epitopes. Notably, PBMCs from three T1D patients exhibited T cell reactivity against both ORF7b/ORF3a viral epitopes and proinsulin/ZnT‐8 autoantigens.ConclusionsThe increased frequency of SAR‐CoV‐2‐ reactive T cells in T1D patients might protect against severe COVID‐19 and overt infections. These results emphasise the long‐standing association between viral infections and T1D.
Growth of brown trout in the wild predicted by embryo stress reaction in the laboratory
Authors: Bylemans Jonas , Marques da Cunha Lucas , Wilkins Laetitia G. E. , Nusbaumer David , Uppal Anshu , Wedekind Claus 
Published: May 2024

AbstractLaboratory studies on embryos of salmonids, such as the brown trout (Salmo trutta), have been extensively used to study environmental stress and how responses vary within and between natural populations. These studies are based on the implicit assumption that early life‐history traits are relevant for stress tolerance in the wild. Here we test this assumption by combining two data sets from studies on the same 60 families. These families had been experimentally produced from wild breeders to determine, in separate samples, (1) stress tolerances of singly kept embryos in the laboratory and (2) growth of juveniles during 6 months in the wild. We found that growth in the wild was well predicted by the larval size of their full sibs in the laboratory, especially if these siblings had been experimentally exposed to a pathogen. Exposure to the pathogen had not caused elevated mortality among the embryos but induced early hatching. The strength of this stress‐induced change of life history was a significant predictor of juvenile growth in the wild: the stronger the response in the laboratory, the slower the growth in the wild. We conclude that embryo performance in controlled environments can be a useful predictor of juvenile performance in the wild.
Explicit solutions for the ground displacement of a sliding model simulating both the frictional and rotational effects under idealized acceleration pulses
Authors: Protopapas Angelos L. , Stamatopoulos Constantine A. 
Published: May 2024

AbstractFor the first time, the present work derives explicit equations predicting the downward ground displacement of a sliding model simulating both the frictional and rotational effects under idealized acceleration pulses, in the form of simple formulas. Explicit equations allow not only accurate predictions in all cases, but also analysis of the solutions and derivation of expressions for limit cases. Half and full cycles of (i) rectangular, (ii) triangular, (iii) trapezoidal, and (iv) sinusoidal pulses and slopes both under static stability and instability are considered. For this purpose, for pulse cases (i)–(iii) recently proposed implicit analytical solutions are used, while for case (iv), first the analytical equations predicting the sliding displacement and velocity of a sinusoidal pulse in terms of time are obtained and then the time duration of motion is estimated, by using the Bhaskara approximation of the sine and cosine functions. Then, from these, solutions for the particular limit cases corresponding to the “conventional” sliding‐block model (Case A) and the post‐failure run‐off movement without any applied pulse (Case B) are derived. The results for Case A provide a useful tabulation of sliding‐block solutions, some of which are not reported in the literature. The results for Case B provide novel predictions of the time duration of motion in the case of post‐failure movement. The general solutions are analyzed graphically and the deviation from the solutions of Cases A and B is illustrated. Finally, the explicit solutions are compared to solutions of actual accelerograms.
Exploring management strategies to improve yields and reduce reactive nitrogen emissions in a summer maize‐winter wheat cropping system under long‐term climate variability
Authors: Huang Shaohui , Yang Junfang , Xing Suli , Yang Wenfang , Yang Yunma , Jia Liangliang , He Ping 
Published: May 2024

AbstractAchieving high stable crop yields and minimal environmental damage is crucial to enhance the sustainability of agriculture in China. Process‐based models are indispensable tools to develop agronomy management practices to achieve sustainable agriculture by simulating crop production and emissions of reactive nitrogen (N), particularly in complex climate scenarios. In this study, a long‐term field experiment with an intensive summer maize‐winter wheat rotation system in north‐central China was simulated using the DeNitrification‐DeComposition (DNDC) model. The DNDC model validation and calibration was done by using two‐year monitoring data of crop yields and nitrous oxide emission fluxes and ammonia volatilization. Moreover, the optimal management practices to promote crop production and reduce the reactive N loss under 22 years of climate variability were explored using the calibrated DNDC model in this region. The results showed that the DNDC model effectively simulated wheat and maize yields, N uptake, ammonia volatilization, and nitrous oxide emissions. Sensitivity analyses demonstrated that the agronomic management practices (N rates and ratio of base to topdressing, planting time, and tillage depth) substantially affected crop yields and reactive N losses under long‐term climate variability. Compared with current farming practices, optimal Nutrient Expert (NE) management achieved an increase in high yields and environmental pollution radiation by altering the rate of N application and ratio of base to topdressing. Moreover, the optimal management strategies developed by the DNDC model, such as adjusting the planting date and tillage depth, further increased the average grain yield by 2.9% and reduced the average reactive N losses by 10.5% compared with the NE management implemented in the annual rotation cropping with a 22‐year simulation. This study suggests that the modeling method facilitates the development of most effective agronomic management practices to promote crop production and alleviate the negative impact on environment.
Sociodemographic characteristics associated with cervical cancer screening participation by send‐to‐all and opt‐in HPV self‐sampling: Who benefits? Results from a randomized controlled trial among long‐term non‐attending women in Norway
Authors: Hansen Bo T. , Nygård Mari , Castle Phil E. , Burger Emily A. , Aasbø Gunvor 
Published: May 2024

AbstractWith the objective to investigate associations between sociodemographic characteristics and participation in interventions designed to increase participation in cervical cancer screening among under‐screened women, we randomized a random sample of 6000 women in Norway aged 35–69 years who had not attended cervical screening for ≥10 years to receive either (i) a reminder to attend regular screening (control), (ii) an offer to order a self‐sampling kit (opt‐in), or (iii) a self‐sampling kit unsolicited (send‐to‐all). We analyzed how sociodemographic characteristics were associated with screening participation within and between screening arms. In the send‐to‐all arm, increased screening participation ranged from 17.1% (95% confidence interval [95% CI] = 10.3% to 23.8%) to 30.0% (95% CI = 21.5% to 38.6%) between sociodemographic groups. In the opt‐in arm, we observed smaller, and at times, non‐significant increases within the range 0.7% (95% CI = −5.8% to 7.3%) to 19.1% (95% CI = 11.6% to 26.7%). In send‐to‐all versus control comparisons, there was greater increase in participation for women in the workforce versus not (6.1%, 95% CI = 1.6% to 10.6%), with higher versus lower income (7.6%, 95% CI = 2.2% to 13.1%), and with university versus primary education (8.5%, 95% CI = 2.4% to 14.6%). In opt‐in versus control comparisons, there was greater increase in participation for women in the workforce versus not (4.6%, 95% CI = 0.7% to 8.5%), with higher versus lower income (6.3%, 95% CI = 1.5% to 11.1%), but lower increase for Eastern European versus Norwegian background (−12.7%, 95% CI = −19.7% to −5.7%). Self‐sampling increased cervical screening participation across all sociodemographic levels, but inequalities in participation should be considered when introducing self‐sampling, especially with the goal to reach long‐term non‐attending women.