bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chiral Plasmons Enable Coherent Vortex Smith–Purcell Radiation
Authors: Zhang Zi‐Wen , Zhu Juan‐Feng , Du Chao‐Hai , Gao Fei , Han Feng‐Yuan , Liu Pu‐Kun 
Published: October 2022

AbstractRecent advances in vortex Smith–Purcell radiation (V‐SPR) have spurred many breakthroughs in the generation of vortex beams for their potential applications in chiral detection, particle acceleration, communication, and imaging. However, advanced multi‐mode applications of the V‐SPR suffer from the incoherent spectrum and poor purity in producing high‐order topological charges. Here, by exploiting the rotational symmetry and Brillouin‐folding phenomenon, it is proved that the coherent V‐SPR with independently steerable high‐order topological charge is directly emitted from chiral spoof surface plasmons. Moreover, both topological charges and operation frequencies can be readily tuned, thus enabling flexible adaptability over a broad bandwidth. A proof‐of‐concept prototype is designed and fabricated in the microwave regime, in which the method is demonstrated from the perspective of symmetry and tunability. The proposed methodology can be exploited as a platform to investigate the interaction between chiral plasmons and swift electrons, promising a feasible scheme for generating coherent and tunable vortex beams from the microwave to the terahertz band.
Corrosion and degradation behavior of aluminum and copper refrigerant piping
Authors: Uchiyama Seiji , Uemura Satoshi , Hiraoka Koji , Kimura Yuji , Seki Shiro 
Published: October 2022

AbstractMany types of refrigerant piping use copper alloys because of such alloys' high workability, thermal conductivity, and weatherability. However, copper is the 25th most abundant element in Earth's crust (as indicated by its Clark number: a relatively low value, ca. 0.01). Therefore, there is concern about depletion, if emerging countries and new devices such as electric vehicles use large quantities of copper. Recently, we have focused on aluminum as a lightweight metal, which is 4th place in terms of Clark number (ca. 7.6). Refrigerant piping also uses aluminum in air conditioning equipment; thus, practical applications are available. Aluminum alloys used as material for piping also contain other elements such as manganese, silicon, magnesium, copper, and iron. Regarding practical use for pipework, long‐term evaluation (more than 20 years) by corrosion is necessary. Therefore, in this study, we investigated the corrosion‐resistant characteristics of various aluminum alloys by accelerated degradation tests with changing storage conditions, such as temperature and atmosphere. In general, the corrosion of the piping materials depends on the contact atmosphere and differs between inside (refrigerant) and outside (e.g., air) piping. Specifically, there are concerns about the acid of refrigerant oils (inside piping) and corrosion by the salts in seawater (outside piping). The results from immersion tests in refrigerant and cyclic corrosion tests (intermittent cycles between salt mist and drying) proved that aluminum alloys can be used for refrigerant piping in the same way as copper materials.
The effect of bird droppings on the corrosion of steel and aluminum used in offshore applications
Authors: Forr Fredrik , Mysliu Erlind , Nordlien Jan Halvor , Erbe Andreas 
Published: October 2022

AbstractEngineering materials in service are frequently exposed to bird droppings (BDs). In this study, the interaction has been studied of BDs from chicken with a carbon steel, AISI 316, 22% Cr duplex stainless steel (DSS), 25% Cr super duplex stainless steel (SDSS), carbon steel with a thermally sprayed aluminum (TSA) coating, and aluminum alloy EN AW 6082. Samples with and without BDs are exposed to a cyclic salt spray test for up to 692 h (29 days). Electrochemical experiments in the presence of BDs were conducted in a syringe‐based droplet cell. Characterization of the corrosion products by infrared (IR) and Raman spectroscopy shows no build‐in of organic components into the corrosion products in the samples exposed to BDs. In general, BDs affect the anodic dissolution mechanism of metals and increase the critical pitting potential. For carbon steel, a component of the BDs acts as an anodic inhibitor, leading to passivation of the surface and decreasing corrosion rates by 1–2 orders of magnitude. For 316, BDs increase the critical pitting potential but may facilitate crevice‐like initiation of localized corrosion. There are negligible effects of BDs on the corrosion of SDSS, and no evidence either for adverse effects on DSS. TSA shows an increased corrosion rate by half to one order of magnitude with BDs, but its ability to galvanically protect a steel base material is not compromised. AW 6082 shows decreased corrosion rate, no difference in mass loss, but increased pitting in the presence of BDs. Overall, these model experiments may only be seen as the start of a more systematic understanding of the interaction of BDs with engineering materials.
A comparative study and optimization of corrosion resistance of Mg–Al layered double hydroxides films at different hydrothermal temperatures on LA103Z Mg–Li alloy
Authors: Zhang Jumei , Li Jiacheng , Hou Anrong , Lian Duoduo , Zhang Mengchun , Wang Zhihu , Zhang Teng 
Published: October 2022

AbstractIn this study, to improve the corrosion protection system of Mg–Li alloy, Magnesia–alumina Layered double hydroxide (Mg–Al LDH) films were prepared on the LA103Z magnesium–lithium (Mg–Li) alloy by the in situ hydrothermal method. Subsequently, the microstructure of the Mg–Al LDH films was characterized by scanning electron microscope, X‐ray spectrometer, X‐ray diffraction, Fourier‐transform infrared spectroscopy, and the effect of different hydrothermal temperatures on the growth of the film was studied. Electrochemical impedance spectroscopy (EIS) and hydrogen evolution test were used to study the corrosion behavior of the films, revealing the anticorrosion mechanism of the films. The results show that the LDH film is in the form of a sheet‐like structure that crosses vertically on the LA103Z substrate. With the increase of the hydrothermal temperature, the size of the Mg–Al LDH sheet increases, and the distribution is denser. Electrochemical tests showed that the coated samples had significantly improved impedance modulus (|Z|) and charge transfer resistance (Rt) compared to bare samples. The potentiodynamic polarization curves demonstrated that the Mg–Al LDH film can effectively improve the corrosion resistance of the LA103Z magnesium alloy substrate.
Crystallization kinetics and nanomechanical behavior of biobased poly(ethylene 2,5‐furandicarboxylate) reinforced with carbon nanotubes
Authors: Kourtidou Dimitra , Grigora Maria‐Eirini , Papadopoulos Lazaros , Tzetzis Dimitrios , Bikiaris Dimitrios N. , Chrissafis Konstantinos 
Published: October 2022

AbstractPoly(ethylene 2,5‐furandicarboxylate) (PEF) is one of the most widely known biobased polyesters due to its outstanding gas barrier and mechanical properties, making it the number one candidate to substitute poly(ethylene terephthalate) (PET). However, its crystallization from the melt is much slower compared to PET, affecting the overall processing of the material. For this reason, PEF nanocomposites containing various carbon nanotubes (CNTs) loadings (0–2.5 wt%) have been in situ synthesized in this work. Differential scanning calorimetry (DSC) measurements were conducted to evaluate all the prepared materials' isothermal and nonisothermal crystallization kinetics. Isothermal kinetics using the Avrami and Hoffman–Lauritzen (H–L) theories suggested that the nucleating effect of the CNTs is more profound during the crystallization from the melt, where the higher crystallization rate is observed in the case of PEF/2.5 CNTs nanocomposite. This is also confirmed by the nonisothermal crystallization analysis. The nucleation activity of the filler was estimated by Dobreva's method, which revealed that higher CNTs (1 and 2.5 wt%) content presents increased nucleation efficiency during the process. The nanoindentation results showed that the addition of CNTs in the PEF matrix enhanced the nanomechanical properties of PEF. Semicrystalline samples presented significantly higher hardness (H) and elastic modulus (E) values compared to their amorphous counterparts, where semicrystalline PEF/2.5 CNTs nanocomposite presented 135% increase of E compared to the amorphous neat PEF.
Use of wild and exotic germplasm for resistance in peanut
Authors: Cason John M. , Simpson Charles E. , Burow Mark D. , Tallury Shyam , Pham Hanh , Ravelombola Second Waltram 
Published: October 2022

AbstractPeanut (Arachis hypogaeaL.) is an important crop grown around the world but lacks genetic resistance to many biotic and abiotic stresses. However, these traits can be found in the wild and exotic germplasm to which peanut is genetically related. The genusArachiscontains 83 described species, some of which are home to a reservoir of useful traits and that have served as a source of resistance with their movement into the cultivated peanut. There are several excellent examples of using exotic and wild germplasm to successfully to incorporate biotic resistance traits into cultivated peanut. It is also possible that some of the genetic resources could someday be used to further enhance peanut in unforeseen ways. In this article we present some examples of successful introgression and how these success stories have been achieved.
Molecular determinants of TRAF6 binding specificity suggest that native interaction partners are not optimized for affinity
Authors: Halpin Jackson C. , Whitney Dustin , Rigoldi Federica , Sivaraman Venkat , Singer Avinoam , Keating Amy E. 
Published: October 2022

AbstractTRAF6 is an adaptor protein involved in signaling pathways that are essential for development and the immune system. It participates in many protein–protein interactions, some of which are mediated by the C‐terminal MATH domain, which binds to short peptide segments containing the motif PxExx[FYWHDE], where x is any amino acid. Blocking MATH domain interactions is associated with favorable effects in various disease models. To better define TRAF6 MATH domain binding preferences, we screened a combinatorial library using bacterial cell‐surface peptide display. We identified 236 of the best TRAF6‐interacting peptides and a set of 1,200 peptides that match the sequence PxE but do not bind TRAF6 MATH. The peptides that were most enriched in the screen bound TRAF6 tighter than previously measured native peptides. To better understand the structural basis for TRAF6 interaction preferences, we built all‐atom structural models of the MATH domain in complex with high‐affinity binders and nonbinders identified in the screen. We identified favorable interactions for motif features in binders as well as negative design elements distributed across the motif that can disfavor or preclude binding. Searching the human proteome revealed that the most biologically relevant TRAF6 motif matches occupy a different sequence space from the best hits discovered in combinatorial library screening, suggesting that native interactions are not optimized for affinity. Our experimentally determined binding preferences and structural models support the design of peptide‐based interaction inhibitors with higher affinities than endogenous TRAF6 ligands.
Evolutionary trajectory of receptor binding specificity and promiscuity of the spike protein of SARS‐CoV‐2
Authors: Planchais Cyril , Reyes‐Ruiz Alejandra , Lacombe Robin , Zarantonello Alessandra , Lecerf Maxime , Revel Margot , Roumenina Lubka T. , Atanasov Boris P. , Mouquet Hugo , Dimitrov Jordan D. 
Published: October 2022

AbstractSARS‐CoV‐2 infects cells by attachment to its receptor—the angiotensin converting enzyme 2 (ACE2). Regardless of the wealth of structural data, little is known about the physicochemical mechanism of interactions of the viral spike (S) protein with ACE2 and how this mechanism has evolved during the pandemic. Here, we applied experimental and computational approaches to characterize the molecular interaction of S proteins from SARS‐CoV‐2 variants of concern (VOC). Data on kinetics, activation‐, and equilibrium thermodynamics of binding of the receptor binding domain (RBD) from VOC with ACE2 as well as data from computational protein electrostatics revealed a profound remodeling of the physicochemical characteristics of the interaction during the evolution. Thus, as compared to RBDs from Wuhan strain and other VOC, Omicron RBD presented as a unique protein in terms of conformational dynamics and types of non‐covalent forces driving the complex formation with ACE2. Viral evolution resulted in a restriction of the RBD structural dynamics, and a shift to a major role of polar forces for ACE2 binding. Further, we investigated how the reshaping of the physicochemical characteristics of interaction affects the binding specificity of S proteins. Data from various binding assays revealed that SARS‐CoV‐2 Wuhan and Omicron RBDs manifest capacity for promiscuous recognition of unrelated human proteins, but they harbor distinct reactivity patterns. These findings might contribute for mechanistic understanding of the viral tropism and capacity to evade immune responses during evolution.
kinCSM: Using graph‐based signatures to predict small molecule CDK2 inhibitors
Authors: Zhou Yunzhuo , Al‐Jarf Raghad , Alavi Azadeh , Nguyen Thanh Binh , Rodrigues Carlos H. M. , Pires Douglas E. V. , Ascher David B. 
Published: October 2022

AbstractProtein phosphorylation acts as an essential on/off switch in many cellular signaling pathways. This has led to ongoing interest in targeting kinases for therapeutic intervention. Computer‐aided drug discovery has been proven a useful and cost‐effective approach for facilitating prioritization and enrichment of screening libraries, but limited effort has been devoted providing insights on what makes a potent kinase inhibitor. To fill this gap, here we developed kinCSM, an integrative computational tool capable of accurately identifying potent cyclin‐dependent kinase 2 (CDK2) inhibitors, quantitatively predicting CDK2 ligand–kinase inhibition constants (pKi) and classifying different types of inhibitors based on their favorable binding modes. kinCSM predictive models were built using supervised learning and leveraged the concept of graph‐based signatures to capture both physicochemical properties and geometry properties of small molecules. CDK2 inhibitors were accurately identified with Matthew's Correlation Coefficients (MCC) of up to 0.74, and inhibition constants predicted with Pearson's correlation of up to 0.76, both with consistent performances of 0.66 and 0.68 on a nonredundant blind test, respectively. kinCSM was also able to identify the potential type of inhibition for a given molecule, achieving MCC of up to 0.80 on cross‐validation and 0.73 on the blind test. Analyzing the molecular composition of revealed enriched chemical fragments in CDK2 inhibitors and different types of inhibitors, which provides insights into the molecular mechanisms behind ligand–kinase interactions. kinCSM will be an invaluable tool to guide future kinase drug discovery. To aid the fast and accurate screening of CDK2 inhibitors, kinCSM is freely available at https://biosig.lab.uq.edu.au/kin_csm/.
Effective control of Leptosphaeria maculans increases importance of L. biglobosa as a cause of phoma stem canker epidemics on oilseed rape
Authors: Huang Yong‐Ju , Sidique Siti Nordahliawate M , Karandeni Dewage Chinthani S , Gajula Lakshmi H , Mitrousia Georgia K , Qi Aiming , West Jonathan S , Fitt Bruce DL 
Published: October 2022

AbstractBACKGROUNDPhoma stem canker is a damaging disease of oilseed rape caused by two related fungal species, Leptosphaeria maculans and L. biglobosa. However, previous work has mainly focused on L. maculans and there has been little work on L. biglobosa. This work provides evidence of the importance of L. biglobosa to stem canker epidemics in the UK.RESULTSQuantification of L. maculans and L. biglobosa DNA using species‐specific quantitative PCR showed that L. biglobosa caused both upper stem lesions and stem base cankers on nine oilseed rape cultivars in the UK. Upper stem lesions were mainly caused by L. biglobosa. For stem base cankers, there was more L. maculans DNA than L. biglobosa DNA in the susceptible cultivar Drakkar, while there was more L. biglobosa DNA than L. maculans DNA in cultivars with the resistance gene Rlm7 against L. maculans. The frequency of L. biglobosa detected in stem base cankers increased from 14% in 2000 to 95% in 2013. Ascospores of L. biglobosa and L. maculans were mostly released on the same days and the number of L. biglobosa ascospores in air samples increased from the 2010/2011 to 2012/2013 growing seasons.CONCLUSIONEffective control of L. maculans increased infection by L. biglobosa, causing severe upper stem lesions and stem base cankers, leading to yield losses. The importance of L. biglobosa to phoma stem canker epidemics can no longer be ignored. Effective control of phoma stem canker epidemics needs to target both L. maculans and L. biglobosa. © 2022 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Performance of phase‐I dose finding designs with and without a run‐in intra‐patient dose escalation stage
Authors: Labrenz Jannik , Edelmann Dominic , Heitmann Jonas S. , Salih Helmut R. , Kopp‐Schneider Annette , Schlenk Richard F. 
Published: October 2022

AbstractDose‐finding designs for phase‐I trials aim to determine the recommended phase‐II dose (RP2D) for further phase‐II drug development. If the trial includes patients for whom several lines of standard therapy failed or if the toxicity of the investigated agent does not necessarily increase with dose, optimal dose‐finding designs should limit the frequency of treatment with suboptimal doses. We propose a two‐stage design strategy with a run‐in intra‐patient dose escalation part followed by a more traditional dose‐finding design. We conduct simulation studies to compare the 3 + 3 design, the Bayesian Optimal Interval Design (BOIN) and the Continual Reassessment Method (CRM) with and without intra‐patient dose escalation. The endpoints are accuracy, sample size, safety, and therapeutic efficiency. For scenarios where the correct RP2D is the highest dose, inclusion of an intra‐patient dose escalation stage generally increases accuracy and therapeutic efficiency. However, for scenarios where the correct RP2D is below the highest dose, intra‐patient dose escalation designs lead to increased risk of overdosing and an overestimation of RP2D. The magnitude of the change in operating characteristics after including an intra‐patient stage is largest for the 3 + 3 design, decreases for the BOIN and is smallest for the CRM.
A tensor‐based hierarchical process monitoring approach for anomaly detection in additive manufacturing
Authors: Yang Wei , Grasso Marco , Colosimo Bianca Maria , Paynabar Kamran 
Published: October 2022

AbstractAdditive manufacturing (AM) is a technology that enables the creation of complex shapes with advanced structural and functional properties. It has transformed the traditional manufacturing operations into a more flexible and efficient process, reshaping the whole value chain and allowing new levels of product customization. AM is a layer‐by‐layer manufacturing process, in which materials are deposited in each layer to create the object of interest. Due to the layer‐wise nature of the process, anomalies and defects might occur within each layer, across several layers or throughout the whole sample. An accurate and responsive detection strategy that enables the detection of various types of anomalies is essential for ensuring the quality and integrity of the manufactured product. In this paper, a hierarchical in situ process monitoring approach, namely, a three level monitoring strategy, is proposed to detect local, layer‐wise, and sample‐wise anomalies using thermal videos acquired during the manufacturing process. The proposed approach integrates hierarchical low‐rank tensor decomposition methods with statistical monitoring techniques to effectively detect anomalies at different levels, namely, the within‐layer level, the layer level, and the sample level. Simulations are used to evaluate the performance of the method and compare with existing benchmarks. The proposed approach is also applied to thermal videos acquired during the laser powder bed fusion (L‐PBF) process to illustrate its effectiveness in practice.
Entrainment of endangered sturgeon by a large water diversion: Rescue, enumeration, and conservation opportunities
Authors: Killgore K. Jack , Hoover Jan Jeffrey , Slack William Todd , George Steven G. , Brantley Christopher G. 
Published: October 2022

AbstractThe Bonnet Carre' Spillway diverts water from the Mississippi River through a floodway into brackish Lake Pontchartrain to reduce river stages at New Orleans and prevent flood damage. Pallid Sturgeon Scaphirhynchus albus, a federally listed species under the Endangered Species Act, and Shovelnose Sturgeon Scaphirhynchus platorynchus, listed under the Similarity of Appearance rule, are entrained through the spillway structure and become trapped in the canals and shallow lakes. The two species of sturgeon were identified according to a suite of morphomeristic characters, not genetically, and were therefore noted as either Shovelnose Sturgeon or presumed Pallid Sturgeon. Rescue efforts were undertaken to return the entrained sturgeon back into the Mississippi River. This article describes the environmental and operational conditions that influence entrainment risk, catch, and potential impacts on the population. Five openings and corresponding rescue operations occurred between 2008 and 2019 after each spillway closure. A total of 70 days with a crew number ranging from 6 to 12 were expended to collect 57 Pallid Sturgeon, four of which were dead, and 362 Shovelnose Sturgeon, 83 of which were dead, after the five openings that spanned 240 total days. More sturgeon were entrained at higher water temperatures, with a greater number of bays opened for longer durations. Recovery of sturgeon is initially high but over time declines as sturgeon are depleted from the floodway, stranded in isolated waterbodies in the floodway, and/or displaced further downstream into Lake Pontchartrain during longer openings. Sturgeon that cannot find their way back to the floodway are unlikely to be rescued. Recent population studies indicate that only a small proportion of the Lower Mississippi River total population is entrained. However, this does not take into account those individuals entrained but not captured and the potential impacts if more frequent openings of the structure were to continue in the future. Conservation recommendations are provided to increase catch efficiency and recovery of the endangered sturgeon.