bluuebunny/crossref_metadata_2025 huggingface dataset:
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

Engineering 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

In 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.
Dynamics for a reaction–diffusion–advection mutualist model with different free boundaries
Authors: Chen Qiaoling , Teng Zhidong
Published: October 2022

This paper is concerned with the dynamics of a reaction–diffusion–advection mutualist model with four different free boundaries in one‐dimensional space. These free boundaries are used to describe the spreading of two mutualistic species along two sides in the line, and two ones in the same direction may intersect each other as time evolves. The existence, uniqueness, and long time behaviors of global solutions are established. The sharp criteria for spreading and vanishing are provided.
Convexity of the free boundaries for axially symmetric Réthy flows
Authors: Zhang Fan
Published: October 2022

The convexity of the free boundaries for axially symmetric Réthy flows will be established. As byproducts, we will set up the deflection angle estimate of the Réthy flow in the far‐field, the positive axial velocity, and the optimal regularity of velocity up to one separation point.
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

Poly(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

Peanut (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

TRAF6 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

SARS‐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

Protein 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

BACKGROUND

Phoma 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.

RESULTS

Quantification 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.

CONCLUSION

Effective 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.
Ultrahigh Carrier Mobility in Cd3As2 Nanowires
Authors: Singh Angadjit , Schoenherr Piet , Barnes Crispin , Hesjedal Thorsten
Published: October 2022

Magnetotransport measurements are carried out on nanowires of the Dirac semimetal . Weak antilocalization is observed at 1.9 K, consistent with the presence of strong spin–orbit interaction. With decreasing temperature, Shubnikov–de Haas oscillations are seen, revealing an ultrahigh mobility of 57 000 cm2 Vs at 1.9 K. The strong oscillations display a linear dependence of the Landau‐level index on the inverse of the magnetic field, yielding an intercept that is consistent with a π Berry phase—the signature feature of Dirac fermions. By studying the fundamental properties of Dirac materials, new avenues can be explored by exploiting their unique properties for spintronics and magnetoelectronic devices.
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

Dose‐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

Additive 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

The 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.
Core‐Shell Nanofibers With Fire Retardant Properties Prepared By A Co‐Axial Electrospinning Technique
Authors: Sukumar Thenmozhi , Kadirvelu Krishna
Published: October 2022

A novel composite core‐shell nanofibers of poly(vinyl acetate) (PVAc) as core incorporated with magnesium oxide nanoparticles (MgO NPs) and cellulose acetate (CA) as shell were prepared using co‐axial electrospinning technique. Core‐shell morphology of the prepared composite nanofibers was confirmed by scanning electron microscope (SEM) and field emission‐SEM (FE‐SEM) imaging techniques and presence of metal oxide in core‐shell nanofibers was confirmed from the energy dispersive X‐ray (EDX) analysis. Further, thermal, chemical and mechanical properties of the prepared materials were studied with Fourier transform‐infrared spectroscopy (FTIR), powder X‐ray diffraction (XRD), tensile measurements, thermogravimetry analysis (TGA) and differential scanning calorimetry (DSC) analysis. Finally, fire retardant properties of the prepared nanofibers were studied by inclined flammability and limited oxygen index (LOI) testing. Higher mechanical strength and enhanced fire resistance was reported from the above thorough analysis and therefore, the prepared material could fit well in fire resistance applications.
Suitable Micro/Mesoporous Carbon Derived from Galangal Leaves (Alpinia galanga L.) Biomass for Enhancing Symmetric Electrochemical Double‐layer Capacitor Performances
Authors: Taer Erman , Apriwandi Apriwandi , Febriani Widya , Taslim Rika
Published: October 2022

Recently, micro/mesoporous biomass‐based functional carbon as an excellent electrode material and energy storage device has attracted massive attention due to the availability of abundant raw materials, adaptability to pore structure, good chemical‐physical behaviors, high conductivity, enhanced energy density, and long life cyclic stability. This study performs micro/meso carbon from the novel galangal leaves biomass through KOH and CO2 activation as electrodes material for symmetric supercapacitors. The activated carbon obtained showed a clear hierarchical pore structure with an excellent micro:meso ratio of 56.72 %:43.28 % which caused their high electrochemical properties. The carbon was further assembled into electrodes through a binder‐free solid disc designed to assess the electrochemical performance as a supercapacitor. The results indicated that the galangal leaves‐based adapted micro/mesoporous carbon obtained a high specific capacitance of 161 F g−1 at 1 A g−1. Additionally, the symmetric supercapacitor had a specific capacitance retention rate of 78 % at 10 mV s−1 and low resistance in the aqueous electrolyte of 1 M H2SO4. The maximum energy density was 19.53 Wh kg−1 at an optimum power density of 132.32 W kg−1. Therefore, the appropriate micro/mesopores carbon ratio based on the novel galangal leaves biomass can be considered as a good electrode material for high‐performance supercapacitor.
Advances in the Synthesis of Natural Products and Medicinally Relevant Molecules from Glycals
Authors: Hussain Nazar , Rasool Faheem , Khan Shahnawaz , Saleem Mohd , Maheshwari Mittali
Published: October 2022

Glycals have been extensively utilized as a versatile building block in the constructions of C‐glycosides, branched sugars, and the total synthesis of natural products and biologically potent molecules. The versatility of glycals can be attributed to their easy availability and the presence of endocyclic ring oxygen in conjugation with the double bond. The inbuilt chirality further enhances its applicability in the chiral pool synthesis of natural products and pharmaceuticals. In this review, we have summarized the development made in the total synthesis of natural products and some medicinally relevant molecules from glycals.
Nickel Selenide Quantum dot Reactor for Electro‐oxidation of Nevirapine in Wastewater
Authors: Tito Ginny S. , Abolanle Adekunle S. , Kuvarega Alex T. , Mamba Bhekie B. , Feleni Usisipho
Published: October 2022

An electrochemical sensor‐based on nickel selenide quantum dot, capped with 3‐mercaptopropionic acid (3‐MPA), was embedded on an L‐cysteine modified gold electrode for nevirapine (NVP) detection. The 3‐MPA‐NiSe2QD material was fully characterised using FTIR, SEM, Raman, HR‐TEM, XRD, SAXS, PL and UV‐Vis. Differential pulse voltammetry was used to study the electrochemical responses of 3‐MPA‐NiSe2QD/L‐cyst/Au electrochemical sensor to NVP, with a characteristic oxidation peak at 0.76 V. The electrochemical sensor obtained a low limit of detection (LOD) value of 0.0133 pM (0.0035 ng/L), limit of quantification (LOQ) of 0.0442 pM (0.0118 ng/L) and sensitivity of 6.15 μA/pM with a linear range of 0.25–0.63 pM, respectively. Thus, the reproducibility, stability, and repetitive usability shown by the proposed sensor made it suitable for the determination of nevirapine in real wastewater samples.
New Route of Synthesis of Some of the Related Substances of Ibuprofen and Sunitinib
Authors: Das Saibal Kumar , Buchikonda Ravinder , Dubey Manoj Kumar , Ghosh Anjulika , Bandichhor Rakeshwar
Published: October 2022

There are quite a substantial number of impurities reported related to Ibuprofen and Sunitinib. Many published methods are also available for the separation of Ibuprofen and its impurities. However, the isolation of these related compounds in handful quantity by separation technique is a tedious, time consuming and cost intensive process. Similarly, to our knowledge, there is no synthetic method available for the amide impurity of Sunitinib. In order to prove the absence or presence of these impurities within the permissible limit, according to different pharmacopoeias, it is pertinent to synthesize each of them.
Assembly of Mg‐Mo‐Al‐Layered double hydroxides (LDHs) @ MoO42− and Its Synergistic Photocatalytic Degradation of Phenol in Wastewater
Authors: Fu Yuxiu , Pang Yaming , Zheng Yinan , Song Xiaoli , Gao Liguo
Published: October 2022

Mg2+‐Mo6+‐Al3+‐MoO42−‐Layered double hydroxides (LDHs) materials were successfully prepared via a hydrothermal method by doping Mo6+ in hydroxide laminates and inserting MoO42− to replace the interlayer anions of LDHs materials. The samples were characterized by X‐ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscope (TEM), Fourier transform infrared spectrometer (FTIRS) and ultraviolet‐visible spectrophotometer (UV). The electronic density of states was calculated using the density functional theory (DFT) of Vienna Ab‐initio Simulation Package (VASP). The effects of Mo6+ and MoO42− on the structure, morphology, electronic structure and photocatalytic performance of Mg2+‐Al3+‐LDHs were systematically studied. The conditions for phenol degradation by Mg2+‐Mo6+‐Al3+‐MoO42−‐LDHs were optimized by single factor analysis and response surface methodology. The results show that the MoO42− anion reduces the band gap width and thus enhances the absorption of low‐energy photons. The interaction between cations and anions enhances the photocatalytic performance. When the dosage of Mg2+‐Mo6+‐Al3+‐MoO42−‐LDHs was 0.03 g, the temperature was 40 °C and the visible light irradiation was 15 min, the removal rate of phenol reached 94.76 %.
Imidazole Functionalized Porous Organic Polymer Stabilizing Palladium Nanoparticles for the Enhanced Catalytic Dehydrogenative Coupling of Silanes with Alcohols
Authors: Liu Senqun , Shi Shunli , Ding Shunmin , Xiao Weiming , Wang Herong , Zeng Rong , Zhao Dan , Chen Chao , Song Weiguo
Published: October 2022

In general, organic strong bases and precious metal complexes serve as catalysts in the dehydrogenative coupling reaction of silanes with alcohols. However, these catalysts can't be easily separated from the catalytic system. Moreover, the self‐polymerization of silanes usually occurs in the presence of strong bases. In this work, utilizing the coordination of imidazolium nitrogen with Pd metal nanoparticles, the alkaline imidazole‐functionalized porous organic polymer stabilized palladium nanoparticles (Pd/PDVB‐Vim) is developed to compensate for the above‐mentioned drawbacks. The Pd/PDVB‐Vim catalyst is characterized and applied in the dehydrogenative coupling reaction of silanes with alcohols under mild conditions (30 °C). The characterization results demonstrate the Pd NPs are uniformly dispersed on PDVB‐Vim with ultrasmall particle size (Ca. 2.00 nm) and the strong interaction of the nitrogen on PDVB‐Vim and Pd NPs is obvious in Pd/PDVB‐Vim. This strong interaction makes the Pd/PDVB‐Vim catalyst exhibits the best stability and reusability.
A Facile Preparation of Reduced Graphene Oxide Capped AuAg Bimetallic Nanoparticles: A Selective Nanozyme for Glutathione Detection
Authors: Das Punamshree , Boruah Purna K. , Sarmah Priyakhee , Dutta Rupjyoti , Boukherroub Rabah , Das Manash R.
Published: October 2022

Over the last decade, artificial enzymes (nanozymes) have undergone substantial development in the field of sensing. In this study, Au−Ag bimetallic nanoparticles (NPs) decorated on reduced graphene oxide sheets (AuAg‐rGO) nanocomposite has been developed as a novel colorimetric probe based on the peroxidase imitating activity of the nanozyme. AuAg‐rGO nanocomposite proved to feature an intrinsic peroxidase mimic activity, facilitating the oxidation of a peroxidase substrate like 3,3’,5,5’‐tetramethylbenzidine (TMB) with high efficiency to oxidised TMB (blue coloured product) with the aid of hydrogen peroxide (H2O2). The characteristic Michaelis‐Menten kinetics study allowed the establishment of the catalytic performance of AuAg‐rGO as an artificial enzyme. Glutathione (GSH) displays inhibiting effect on the oxidation of the peroxidase substrate, TMB. Therefore, AuAg‐rGO nanozyme was applied for detection of GSH and exhibited exceptional selectivity and sensitivity with a low limit of detection (LOD) of 38 nM within the 0–200 μM concentration range. The artificial nanozyme system reported here is simple, convenient, and straightforward for colorimetric sensing of GSH.
The effects of diverse fidelity scenarios on stress in medical students when taking patients' medical histories: A longitudinal study
Authors: Herrmann‐Werner Anne , Erschens Rebecca , Fries Maximilian , Wehner Hannah , Zipfel Stephan , Festl‐Wietek Teresa
Published: October 2022

Taking patients' medical history correctly is the basis of diagnosis and therapy. Medical students as a vulnerable group may perceive patient–physician interactions as stressful. This study examines stress among medical students in different degrees of fidelity when taking a patient's medical history. In this longitudinal study, students' stress levels were assessed during scenarios with different degrees of fidelity (role‐play, simulated patient encounters and real patient encounters) using standardised questionnaires (State‐Trait Anxiety Inventory and a distress scale) and the physiological measurement of heart rate variability. The stress level of participating medical students (N = 128) was expected to significantly increase during scenarios of increasing fidelity (Mroleplay = 2.08 ± 0.92; SPEs: Msimulatedpatient = 2.68 ± 1.08; RPEs: Mrealpatient = 3.35 ± 1.08; p < 0.001). Whereas physiological stress was significantly higher with real patients (N = 106), psychological stress was not affected by the fidelity of the scenarios (N = 85). Medical students experienced stress when taking patients' medical history. Medical students might be unaware of their perceived stress based on the results. Thus, they should know how to cope with stress in such situations.
Exploring 2D Energy Storage Materials: Advances in Structure, Synthesis, Optimization Strategies, and Applications for Monovalent and Multivalent Metal‐Ion Hybrid Capacitors
Authors: Wu Mengcheng , Zheng Wanying , Hu Xi , Zhan Feiyang , He Qingqing , Wang Huayu , Zhang Qichun , Chen Lingyun
Published: October 2022

The design and development of advanced energy storage devices with good energy/power densities and remarkable cycle life has long been a research hotspot. Metal‐ion hybrid capacitors (MHCs) are considered as emerging and highly prospective candidates deriving from the integrated merits of metal‐ion batteries with high energy density and supercapacitors with excellent power output and cycling stability. The realization of high‐performance MHCs needs to conquer the inevitable imbalance in reaction kinetics between anode and cathode with different energy storage mechanisms. Featured by large specific surface area, short ion diffusion distance, ameliorated in‐plane charge transport kinetics, and tunable surface and/or interlayer structures, 2D nanomaterials provide a promising platform for manufacturing battery‐type electrodes with improved rate capability and capacitor‐type electrodes with high capacity. In this article, the fundamental science of 2D nanomaterials and MHCs is first presented in detail, and then the performance optimization strategies from electrodes and electrolytes of MHCs are summarized. Next, the most recent progress in the application of 2D nanomaterials in monovalent and multivalent MHCs is dealt with. Furthermore, the energy storage mechanism of 2D electrode materials is deeply explored by advanced characterization techniques. Finally, the opportunities and challenges of 2D nanomaterials‐based MHCs are prospected.
Unlocking the Potential of Vanadium Oxide for Ultrafast and Stable Zn2+ Storage Through Optimized Stress Distribution: From Engineering Simulation to Elaborate Structure Design
Authors: Gao Yuan , Xia Linghan , Yin Junyi , Gan Zihan , Feng Xiang , Meng Guodong , Cheng Yonghong , Xu Xin
Published: October 2022

Compared with lithium‐ion batteries (LIBs), aqueous zinc batteries (AZIBs) have received extensive attention due to their safety and cost advantages in recent years. The cathode determines the electrochemical performance of AZIBs to a large extent. Vanadium‐based materials exhibit excellent capacity when used as AZIB cathodes. However, unexpected structural stress is inevitably induced during cycling and high current densities, which can gradually lead to structural deterioration and capacity decay. In fact, the stress/strain distribution in nanomaterials is crucial for electrochemical performance. In this work, the optimized stress distribution of the hierarchical hollow structure is verified by the finite element simulation of COMSOL software firstly. Guided by this model, a simple solvothermal method to synthesize hierarchical hollow vanadium oxide nanospheres (VO‐NSs), consisting of ≈10 nm ultrathin nanosheets and ≈500 nm hollow inner cavities, is employed. And a highly disordered structure is introduced to the VO‐NSs by in situ electrochemical oxidation, which can also weaken the structural stress during Zn2+ insertion and extraction. Benefiting from this unique structure, VO‐NSs exhibit high‐rate and stable Zn2+ storage capability. The strategy of engineering‐driven material design provides new insights into the development of AZIB cathodes.
Blade Coating High‐Quality Formamidinium–Cesium Lead Halide Perovskites with Green Solvent for Efficient and Stable Solar Cells
Authors: Zheng Yupeng , Xu Xueqing , Liu Shijun , Xu Gang , Bi Zhuoneng , Zhu Yanqing , Wang Kai , Liu Shengzhong (Frank) , Guerrero Antonio , Xing Guichuan
Published: October 2022

Perfecting large‐area perovskite film coating technology remains a key challenge to commercialize perovskite solar cells. Herein, nontoxic dimethyl sulfoxide (DMSO) is recommended as the only solvent to fabricate formamidinium (FA)–cesium lead halide perovskite by heat‐assisted blade coating. DMSO effectively promotes the formation of α‐phase crystals and improves the crystallinity. In addition, high substrate temperature is found to improve the film compactness, preferred facet orientation, and desired phase transition. Fast coating mode is adopted to inhibit ion migration and reduce the hysteresis of solar cells. Without any additives or surface treatments, the resulting perovskite film with chemical formula FA0.75Cs0.25PbI2.7Br0.3 shows smooth surface, dense grains, and excellent crystallinity. The corresponding solar cells achieve efficiencies of 20.2% and 17.1% with active areas of 0.1 and 1.0 cm2, respectively. The unencapsulated devices maintain ≈100% and 70% of their initial efficiencies after 500 h of storage in air with relative humidity of about 25% and heating at 85 °C, respectively.
Ambipolar‐To‐Unipolar Conversion in Ultrathin 2D Semiconductors
Authors: Beddiar Mohammed Ismail , Zhang Xiankun , Liu Baishan , Zhang Zheng , Zhang Yue
Published: October 2022

Achieving the full potential of any semiconductor device needs an understanding and precise control of carrier transport behavior, which significantly affects the stability and power consumption in future large‐scale integrated circuits. Compared to other semiconductor materials, bipolar 2D semiconductor materials often face difficulty in turning off channel currents, which seriously challenges the development of low‐power semiconductor devices. Here, a review of the studies on transforming ambipolar conduction in 2D materials to get unipolar p‐type/n‐type semiconductors is presented. In particular, 2D semiconductors of black phosphorus and transition metal dichalcogenides such as WSe2 and MoTe2 are investigated. The intrinsic and extrinsic factors that can directly affect the behavior of carriers, such as contact engineering, chemical doping, surface charge transfer doping, electrostatic gating, and dielectric engineering, are focused. Furthermore, how these ambipolar‐to‐unipolar conversion strategies can be applied to tune device performance and construct new‐structure electronic and optoelectronic devices are showcased. Finally, the most critical challenges and future developments in ambipolar‐to‐unipolar conversion engineering in 2D materials are summarized.
Zearalenone damages the male reproductive system of rats by destroying testicular focal adhesion
Authors: Cai Peirong , Feng Nannan , Zou Hui , Gu Jianhong , Liu Xuezhong , Liu Zongping , Yuan Yan , Bian Jianchun
Published: October 2022

Zearalenone (ZEA), a common mycotoxin in animal feed, is harmful to public health and causes huge economic losses. The potential target proteins of ZEA and its derivatives were screened using the PharmMapper database and the related genes (proteins) of the testis were obtained from Genecards. We obtained 144 potential targets of ZEA and its derivatives related to the testis using Venn diagrams. The PPI analysis showed that ZEA had the most targets in testis, followed by ZAN, α‐ZAL, β‐ZEL, α‐ZEL, and β‐ZAL. Kyoto Encyclopedia of Genes and Genomes (KEGG) and Gene Ontology (GO) analyses evaluated the metabolic and cancer pathways. We further screened four hub genes: RAC3, CCND1, EP300, and CTNNB1. Eight key biological processes were obtained by GO analysis, and four important pathways were identified by KEGG analysis. Animal and cell experimental results confirmed that ZEA could inhibit the expression of four key KEGG pathway protein components and four hub proteins that interfere with cell adhesion by inhibiting the focal adhesion structure of the testis, Leydig cells, and Sertoli cells. Collectively, our findings reveal that the destruction of the focal adhesion structure in the testis is the mechanism through which ZEA damages the male reproductive system.
Focusing the GWAS Lens on days to flower using latent variable phenotypes derived from global multienvironment trials
Authors: Neupane Sandesh , Wright Derek M. , Martinez Raul O. , Butler Jakob , Weller James L. , Bett Kirstin E.
Published: October 2022

Adaptation constraints within crop species have resulted in limited genetic diversity in some breeding programs and areas where new crops have been introduced, for example, for lentil (Lens culinaris Medik.) in North America. An improved understanding of the underlying genetics involved in phenology‐related traits is valuable knowledge to aid breeders in overcoming limitations associated with unadapted germplasm and expanding their genetic diversity by introducing new, exotic material. We used a large, 18 site‐year, multienvironment dataset phenotyped for phenology‐related traits across nine locations and over 3 yr along with accompanying latent variable phenotypes derived from a photothermal model and principal component analysis (PCA) of days from sowing to flower (DTF) data for a lentil diversity panel (324 accessions), which has also been genotyped with an exome capture array. Genome‐wide association studies (GWAS) on DTF across multiple environments helped confirm associations with known flowering‐time genes and identify new quantitative trait loci (QTL), which may contain previously unknown flowering time genes. Additionally, the use of latent variable phenotypes, which can incorporate environmental data such as temperature and photoperiod as both GWAS traits and as covariates, strengthened associations, revealed additional hidden associations, and alluded to potential roles of the associated QTL. Our approach can be replicated with other crop species, and the results from our GWAS serve as a resource for further exploration into the complex nature of phenology‐related traits across the major growing environments for cultivated lentil.
Introduction: Towards Responsible Plant Data Linkage
Authors: Leonelli Sabina , Williamson Hugh F.
Published: October 2022

This chapter provides a framing for this volume by reviewing the significance and the organisational, technical and social opportunities and challenges related to plant data linkage. We review what “responsible practice” means in relation to the plant environments being documented, the infrastructures used to circulate data, the institutions involved in data governance and the communities involved in plant data work. We show how, across these domains, responsible plant data linkage involves consideration of technical, legal, ethical and conceptual dimensions, thereby: (1) creating and maintaining digital infrastructures, technical standards and discussion venues focused on critical data reuse; (2) developing adequate legal and institutional frameworks that work transnationally; (3) identifying and implementing guidelines for what constitutes acceptable data use, together with systems to monitor and allocate responsibility for breaches and mistakes; and (4) considering the variety of views on what constitutes agricultural development in the first place and how plant research can sustainably, reliably and responsibly contribute to achieving food security. The production of sustainable, responsible and reliable agricultural solutions in the face of climatic and political change depends on the flourishing of transnational, interdisciplinary collaborations such as those represented in this volume.
Digital Sequence Information and Plant Genetic Resources: Global Policy Meets Interoperability
Authors: Manzella Daniele , Marsella Marco , Jaiswal Pankaj , Arnaud Elizabeth , King Brian
Published: October 2022

Plant genetic resources are source genetic material for conducting research and breeding. The use of this material is subject to international and national regulations on access and benefit-sharing (ABS). With modern genetic technologies generating desired trait and gene function improvement by replicating genetic signatures, ABS must adapt to the new technological reality. As the constituencies of international ABS conventions discuss if and how to extend the application of the conventions to digital sequence information (DSI) derived from source material, the genomics science community resists any incumbrance to continued free and unrestricted access to such information. Based on current ABS discussions and the likely future co-existence of diverse policy regimes, this paper proposes interoperability among data systems as an essential tool to implement legal solutions for benefit-sharing as well as advance science and innovation objectives. Two information technology tools are suggested for associating DSI to plant genetic resources and reciprocal citations with data exchange, namely digital object identifiers and digital genetic objects. This paper concludes that interoperability should be experimented with in both its technical and social dimensions, in order to support long-term alliances between policy and science through data archives, knowledge bases and live specimen collection resources.
Governing Agricultural Data: Challenges and Recommendations
Authors: Devare Medha , Arnaud Elizabeth , Antezana Erick , King Brian
Published: October 2022

The biomedical domain has shown that in silico analyses over vast data pools enhances the speed and scale of scientific innovation. This can hold true in agricultural research and guide similar multi-stakeholder action in service of global food security as well (Streich et al. Curr Opin Biotechnol 61:217–225. Retrieved from https://doi.org/10.1016/j.copbio.2020.01.010, 2020). However, entrenched research culture and data and standards governance issues to enable data interoperability and ease of reuse continue to be roadblocks in the agricultural research for development sector. Effective operationalization of the FAIR Data Principles towards Findable, Accessible, Interoperable, and Reusable data requires that agricultural researchers accept that their responsibilities in a digital age include the stewardship of data assets to assure long-term preservation, access and reuse. The development and adoption of common agricultural data standards are key to assuring good stewardship, but face several challenges, including limited awareness about standards compliance; lagging data science capacity; emphasis on data collection rather than reuse; and limited fund allocation for data and standards management. Community-based hurdles around the development and governance of standards and fostering their adoption also abound. This chapter discusses challenges and possible solutions to making FAIR agricultural data assets the norm rather than the exception to catalyze a much-needed revolution towards “translational agriculture”.