bluuebunny/crossref_metadata_2025 huggingface dataset:
Guaranteed lower bounds to effective stiffness
Authors: Gaynutdinova Liya , Ladecký Martin , Pultarová Ivana , Zeman Jan
Published: August 2023

We present a numerical scheme for obtaining guaranteed (reliable) and arbitrarily close two sided bounds to effective (homogenized) parameters of the linear elasticity problem. For the upper bounds, we use standard finite element (FE) discretization of the so‐called primal problem with preconditioning based on the fast discrete Fourier transformation (FFT). For the lower bounds, we use the dual formulation and some smoother FE approximation spaces. Moreover, instead of solving the discretized dual problem, we can only compute an L2‐orthogonal projection of an auxiliary field built from the primal solution. The projection can be computed easily by FFT and provides a lower bound of almost the same quality as that obtained as the exact solution of the discretized dual problem. In addition, a simple low‐dimensional optimization improves the projected solution. Numerical examples are presented to support the theoretical developments.
Calculation of the macroscopic mechanical properties of polyamide 6.6 underwater influence using molecular dynamics simulations, hyperelastic material modeling of the amorphous fraction, and homogenization schemes
Authors: Pilz Tim , Melzer Felix , Dahlmann Rainer , Hopmann Christian
Published: August 2023

The macroscopic mechanical properties of water‐influenced polyamide 6.6 is analyzed by combining molecular dynamics simulation and experimental measurements of the media concentration and the degree of crystallization. The mechanical properties of α‐crystalline and amorphous polyamide 6.6 are analyzed separately by using molecular dynamics simulations. The anisotropic linear‐elastic stiffness tensor of the crystalline material is determined by unidirectional tensile and shear stress simulations. The deformations of amorphous simulation cells with different water concentrations are fitted in a compressible hyperelastic Yeoh material model. The media concentration of tensile specimens conditioned in air with 50% relative humidity at 23°C and in water is determined after different conditioning times. The degree of crystallization of the material is determined using Differential Scanning Calorimetry. Both parameters are used to estimate the macroscopic mechanical properties of polyamide 6.6. The homogenization schemes by Reuss and Ahzi are compared to calculate the resulting macroscopic properties. Tensile tests are used to validate the calculated properties: The weakening of the material due to water molecules in the amorphous phase can be shown, but it is underestimated in the methods used.
The effect of peroxides on the structure of high‐melt‐strength polylactide with long‐chain branched architecture or micro‐crosslinking
Authors: Zhang Shaojie , Gong Xiangyun , Zhao Caixia , Zou Guoxiang
Published: August 2023

Long‐chain branched polylactides (PLA‐LCB) with high melt strength were prepared through a melting reaction using Trigonox301 or dicumyl peroxide (DCP). During this reaction, random chain scissions, branching reactions, and cross‐linking reactions took place, as confirmed by the torque‐time rheograms and gel permeation chromatography profiles. It is evident that the random chain scissions are more prominent in PLA‐LCBD compared to PLA‐LCBT. The rheological characterization further elucidated the formation of LCB architecture. With an increase in the content of Trigonox301 or DCP, both branch‐on‐branch architecture and cross‐linked architecture were observed. The preference for branch‐on‐branch architectures was found to be higher in PLA‐LCBT as compared to PLA‐LCBD. Additionally, the presence of gel fraction was more easily detectable in PLA‐LCBD samples, indicating a higher likelihood of cross‐linking reactions in these samples. The emergence of new peaks at the positions of 1.82 and 1.47 ppm establishes a solid theoretical foundation for the potential reaction mechanism. One possible explanation proposed is that the reaction rate of free radicals originating from PLA‐LCBD samples is significantly higher than the diffusion rate of macromolecular free radicals. Consequently, the occurrence of a free radical chain transfer reaction is limited to a very small region, resulting in the formation of a cross‐linked structure. While the free radicals that are produced by the cyclic peroxide actively contribute to the graft reaction, thereby promoting the formation of the LCB structure with a micro‐crosslinking component.
Characterization of the prenatal renal phenotype associated with 17q12, HNF1B, microdeletions
Authors: Verscaj Courtney P. , Velez‐Bartolomei Frances , Bodle Ethan , Chan Katie , Lyons Michael J. , Thorson Willa , Tan Wen‐Hann , Rodig Nancy , Graham John M. , Peron Angela , Quintero‐Rivera Fabiola , Zackai Elaine H. , Thomas Mary Ann , Stevens Cathy A. , Adam Margaret P. , Bird Lynne M. , Jones Marilyn C. , Matalon Dena R.
Published: August 2023

Objective

Recurrent deletions involving 17q12 are associated with a variety of clinical phenotypes, including congenital abnormalities of the kidney and urinary tract (CAKUT), maturity onset diabetes of the young, type 5, and neurodevelopmental disorders. Structural and/or functional renal disease is the most common phenotypic feature, although the prenatal renal phenotypes and the postnatal correlates have not been well characterized.

Method

We reviewed pre‐ and postnatal medical records of 26 cases with prenatally or postnatally identified 17q12/HNF1B microdeletions (by chromosomal microarray or targeted gene sequencing), obtained through a multicenter collaboration. We specifically evaluated 17 of these cases (65%) with reported prenatal renal ultrasound findings.

Results

Heterogeneous prenatal renal phenotypes were noted, most commonly renal cysts (41%, n = 7/17) and echogenic kidneys (41%), although nonspecific dysplasia, enlarged kidneys, hydronephrosis, pelvic kidney with hydroureter, and lower urinary tract obstruction were also reported. Postnatally, most individuals developed renal cysts (73%, 11/15 live births), and there were no cases of end‐stage renal disease during childhood or the follow‐up period.

Conclusion

Our findings demonstrate that copy number variant analysis to assess for 17q12 microdeletion should be considered for a variety of prenatally detected renal anomalies. It is important to distinguish 17q12 microdeletion from other etiologies of CAKUT as the prognosis for renal function and presence of associated findings are distinct and may influence pregnancy and postnatal management.
Release of ‘UF_AlfPers_2015’, a nondormant alfalfa cultivar for the southeastern United States
Authors: Rios Esteban F. , Munoz Patricio , Lopez Yolanda , Quesenberry Kenneth
Published: August 2023

The alfalfa (Medicago sativa L.) cultivar ‘UF_AlfPers_2015’ (Reg. no. CV‐208, PI 702791) was developed by the Agronomy Department, a unit of the Florida Agricultural Experiment Station, University of Florida Institute of Food and Agricultural Sciences (UF‐IFAS), and was released in 2021. The need for high‐yielding and persistent nondormant alfalfa cultivars adapted to the southeastern United States continues to be a factor limiting the adoption and use of alfalfa in the region. A group of 17 alfalfa plants selected from a pasture of ‘Florida 99’ were intercrossed in isolation to produce UF_AlfPers_2015. The experimental line was evaluated for herbage accumulation (HA), persistence, and nutritive value in Florida and other states. UF_AlfPers_2015 had superior HA (20% greater than Florida 99 and 30% than ‘Bulldog 805’ on average) and improved persistence and showed similar nutritive value compared with other cultivars in Florida. UF_AlfPers_2015 had greater HA than ‘Alfagraze 600 RR’ in Gene Autry, OK, and similar HA compared with Bulldog 505 and Bulldog 805 in Gene Autry, OK; Vashti, TX; and Brooksville, MS. UF_AlfPers_2015 is a nondormant (fall dormancy 9) alfalfa cultivar. A US Plant Variety Protection application has been filed, and breeder seed will be maintained by the Agronomy Department of UF‐IFAS.
‘USDA‐Yeti’ orchardgrass (Dactylis glomerata L.), a new orchardgrass cultivar that combines excellent winterhardiness and agronomic performance
Authors: Robins Joseph G. , Jensen Kevin B. , Buffham J. Ramsey , Bushman B. Shaun , Heaton Kevin
Published: August 2023

The USDA‐ARS announces the release of ‘USDA‐Yeti’ (Reg. no. CV‐17, PI 702557) orchardgrass (Dactylis glomerata L.). Winter injury and mortality are important issues for orchardgrass production on sites with harsh winter conditions. USDA‐Yeti was developed from the USDA‐UTWH‐102 germplasm for increased winterhardiness and agronomic performance. USDA‐Yeti was then evaluated in multi‐location and multi‐year trials at Cassia County, ID, and at Cache, Davis, and Garfield County, UT, locations for winterhardiness and agronomic performance against 11 orchardgrass cultivars and one improved germplasm. Across years and locations, USDA‐Yeti was 10%–30% more winter hardy than all cultivars but the Canadian cultivar ‘AC Killarney’. Additionally, USDA‐Yeti established stands and produced herbage dry mass greater than or similar to all the included cultivars. USDA‐Yeti also had similar nutritive value to the other cultivars. Thus, USDA‐Yeti combines excellent winterhardiness and herbage dry mass production with good nutritive value for use on sites that possess risk of orchardgrass winter injury and mortality.
Influence of thermo‐oxidative aging on the mechanical properties of the bead foams made of polycarbonate and polypropylene
Authors: Weingart Nick , Raps Daniel , Lamka Marc , Demleitner Martin , Altstädt Volker , Ruckdäschel Holger
Published: August 2023

Bead foams made from standard polymers such as expanded polystyrene (EPS) or expanded polypropylene (EPP) are widely used in everyday products. In order to expand the application window of bead foams, the industry, such as the automotive industry among others, is striving for higher‐performance materials to create a lightweight material for high‐temperature applications. New bead foams such as expanded polycarbonate (EPC) are emerging to offer a wider range of solutions, with thermo‐mechanical properties constantly improving. EPC has excellent mechanical properties, which has been shown in our previous work. To fully understand the capabilities of a material for high‐temperature applications, it is important to know what happens when it is exposed to conditions, that lead to aging. Morphological studies, as well as mechanical characterizations help to determine the properties of EPC compared to EPP. Since thermo‐oxidative aging of thermoplastic foams is almost unexplored, especially in the field of bead foams, this research represents an important contribution to the understanding of material behavior and development. Time‐consuming aging tests were able to confirm that EPC is not only a very thermally stable material, but also able to provide reasonable mechanical performance after aging, compared to EPP.
Hexamethylene amiloride binds the SARS‐CoV‐2 envelope protein at the protein–lipid interface
Authors: Somberg Noah H. , Medeiros‐Silva João , Jo Hyunil , Wang Jun , DeGrado William F. , Hong Mei
Published: August 2023

The SARS‐CoV‐2 envelope (E) protein forms a five‐helix bundle in lipid bilayers whose cation‐conducting activity is associated with the inflammatory response and respiratory distress symptoms of COVID‐19. E channel activity is inhibited by the drug 5‐(N,N‐hexamethylene) amiloride (HMA). However, the binding site of HMA in E has not been determined. Here we use solid‐state NMR to measure distances between HMA and the E transmembrane domain (ETM) in lipid bilayers. 13C, 15N‐labeled HMA is combined with fluorinated or 13C‐labeled ETM. Conversely, fluorinated HMA is combined with 13C, 15N‐labeled ETM. These orthogonal isotopic labeling patterns allow us to conduct dipolar recoupling NMR experiments to determine the HMA binding stoichiometry to ETM as well as HMA‐protein distances. We find that HMA binds ETM with a stoichiometry of one drug per pentamer. Unexpectedly, the bound HMA is not centrally located within the channel pore, but lies on the lipid‐facing surface in the middle of the TM domain. This result suggests that HMA may inhibit the E channel activity by interfering with the gating function of an aromatic network. These distance data are obtained under much lower drug concentrations than in previous chemical shift perturbation data, which showed the largest perturbation for N‐terminal residues. This difference suggests that HMA has higher affinity for the protein–lipid interface than the channel pore. These results give insight into the inhibition mechanism of HMA for SARS‐CoV‐2 E.
Computational analysis of regulatory regions in human protein kinases
Authors: Pei Jimin , Cong Qian
Published: August 2023

Eukaryotic proteins often feature modular domain structures comprising globular domains that are connected by linker regions and intrinsically disordered regions that may contain important functional motifs. The intramolecular interactions of globular domains and nonglobular regions can play critical roles in different aspects of protein function. However, studying these interactions and their regulatory roles can be challenging due to the flexibility of nonglobular regions, the long insertions separating interacting modules, and the transient nature of some interactions. Obtaining the experimental structures of multiple domains and functional regions is more difficult than determining the structures of individual globular domains. High‐quality structural models generated by AlphaFold offer a unique opportunity to study intramolecular interactions in eukaryotic proteins. In this study, we systematically explored intramolecular interactions between human protein kinase domains (KDs) and potential regulatory regions, including globular domains, N‐ and C‐terminal tails, long insertions, and distal nonglobular regions. Our analysis identified intramolecular interactions between human KDs and 35 different types of globular domains, exhibiting a variety of interaction modes that could contribute to orthosteric or allosteric regulation of kinase activity. We also identified prevalent interactions between human KDs and their flanking regions (N‐ and C‐terminal tails). These interactions exhibit group‐specific characteristics and can vary within each specific kinase group. Although long‐range interactions between KDs and nonglobular regions are relatively rare, structural details of these interactions offer new insights into the regulation mechanisms of several kinases, such as HASPIN, MAPK7, MAPK15, and SIK1B.
Modelling the interaction between a pest (Aculops lycopersici), two predators (Pronematus ubiquitus and Macrolophus pygmaeus) and climate variables: a 3‐year greenhouse study in a tomato crop
Authors: Moerkens Rob , Vangansbeke Dominiek , Duarte Marcus V. A. , Bellinkx Stijn , De Roo Elana , Pijnakker Juliette , Wäckers Felix
Published: August 2023

BACKGROUND

The tomato russet mite, Aculops lycopersici, is a major pest in tomato crops, causing damage through leaf and stem browning, defoliation and russeting of fruit. Biological control of this mite on tomato plants is difficult. While several phytoseiid mites feed on the pest, they cannot survive, move, or reproduce on tomato plants due to the presence of glandular trichomes. Pronematus ubiquitus has recently been identified as a biocontrol agent of A. lycopersici in tomato crops, but the predator–prey interaction between these two species is not well studied. In this paper, we present a validated logistic regression predator–prey model based on a 3‐year study supplemented with additional datasets. Besides the predator and the prey, this model takes into account an extra generalist predator, Macrolophus pygmaeus, and various climate parameters.

RESULTS

The population trend of A. lycopersici is best explained by the presence of the predator P. ubiquitus, the relative humidity and the fact that the crop was lit or unlit using artificial light. P. ubiquitus has proved to be an efficient biocontrol agent of A. lycopersici. For P. ubiquitus the presence of M. pygmaeus, the vapour pressure deficit, the number of light hours and radiation explained the population trend best. For both the predator and the prey density‐dependent interactions were identified. Model outcomes are discussed in detail.

CONCLUSION

Our study provides insights into the potential use of P. ubiquitus as a biocontrol agent for A. lycopersici in tomato crops in combination with M. pygmaeus. However, we highlight the importance of considering the presence of other predators and environmental conditions when developing integrated pest management strategies. © 2023 Society of Chemical Industry.
Polyphyllin VII induces autophagy‐dependent ferroptosis in human gastric cancer through targeting T‐lymphokine‐activated killer cell‐originated protein kinase
Authors: Xiang Yuchen , Wan Fang , Ren Yuliang , Yang Dan , Xiang Ke , Zhu Bingxin , Ruan Xuzhi , Li Shuzhen , Zhang Liang , Liu Xuewen , Si Yuan , Liu Ying
Published: August 2023

T‐lymphokine‐activated killer cell‐originated protein kinase (TOPK) is a serine–threonine kinase that is overexpressed in gastric cancer (GC) and promotes tumor progression. Polyphyllin VII (PPVII), a pennogenin isolated from the rhizomes of Paris polyphylla, shows anticancer effects. Here, we explored the antitumor activity and mechanism of PPVII in GC. Ferroptosis was detected by transmission electron microscope, malondialdehyde, and iron determination assays. Autophagy and its upstream signaling pathway were detected by Western blot, and gene alterations. The binding of PPVII and TOPK was examined through microscale thermophoresis and drug affinity responsive target stability assays. An in vivo mouse model was performed to evaluate the therapeutic of PPVII. PPVII inhibits GC by inducing autophagy‐mediated ferroptosis. PPVII promotes the degradation of ferritin heavy chain 1, which is responsible for autophagy‐mediated ferroptosis. PPVII activates the Unc‐51‐like autophagy‐activating kinase 1 (ULK1) upstream of autophagy. PPVII inhibits the activity of TOPK, thereby weakening the inhibition of downstream ULK1. PPVII stabilizes the dimer of the inactive form of TOPK by direct binding. PPVII inhibits tumor growth without causing obvious toxicity in vivo. Collectively, this study suggests that PPVII is a potential agent for the treatment of GC by targeting TOPK to activate autophagy‐mediated ferroptosis.
Szeged index of hollow hexagons
Authors: Lopera Carolina , Cruz Roberto
Published: August 2023

The Szeged index of a connected graph () is a well known distance based topological index. A primitive coronoid system is a coronoid system formed by a single chain in a macro‐cyclic arrangement consisting of linearly and angularly annelated hexagons. The angular hexagons are called corners. A hollow hexagon is a primitive coronoid system with exactly six corners. In this paper we calculate the values of Szeged index of hollow hexagons using the cut method.
A Coupled‐Dipolar Plasmonic Antenna for Enhanced and Directional Emission from a Single NV Center at the Generalized Kerker Condition
Authors: Inam Faraz A. , Nair Rajesh V.
Published: August 2023

Plasmonic antennas are widely used to achieve substantial emission rate enhancement. These antennas suffer from significant absorption losses that preclude the observation of Kerker conditions in such systems. The perfect balancing of the Mie‐scattering moments in an antenna at the generalized Kerker condition provides radiation directionality to its far‐field scattering pattern and zero absorption losses, a situation not achievable for a plasmonic system. Here, using both theoretical and computational approaches, the superposition of Mie‐scattering moments induced by coupling two individual silver (Ag) cylinders in a coupled‐dipolar plasmonic antenna is discussed. This results in the balancing of multipolar moments to a large extent with unidirectional scattering and hence the generalized Kerker condition in a plasmonic system. By placing a nanodiamond‐based single NV‐ center in the plasmonic gap‐cavity formed between the two Ag cylinders, >300 times Purcell enhancement is achieved with improved emission directionality leading to 80% collection efficiency. The proposed coupled‐dipolar plasmonic antenna is well suited for generating bright single photon emissions with a GHz emission rate, which is helpful for quantum photonic applications.
The impact of the embryo banking on the cumulative live birth rate in women with poor ovarian response according to the Bologna criteria
Authors: Ge Qiu Lin , Teng Xiao Ming , Chen Miao Xin , Li Kun Ming , Ng Ernest Hung Yu , Chen Zhi Qin
Published: August 2023

Purpose

To evaluate the impact of embryo banking on the cumulative live birth rate (CLBR) and the time to live birth (TTLB) in poor ovarian responders (POR) according to the Bologna criteria.

Methods

A total of 276 infertile women undergoing IVF with POR were included in this retrospective study. They were divided into two groups with (n = 121) or without (n = 155) embryo banking at the discretion of the attending physicians. A total of 656 and 405 stimulation cycles were started in the two groups respectively during the 24 month follow‐up.

Results

The biochemical pregnancy, clinical pregnancy, ongoing pregnancy, and live birth rate per transfer were comparable between two groups (p > 0.05). The CLBR was significantly lower in the banking group than in the non‐banking group (31.4% (38/121) and 43.2% (67/151), p < 0.05). TTLB was significantly longer in the banking group (20.5 months vs. 16.0 months, p < 0.001). In the Kaplan–Meier analysis, the cumulative incidence of live birth was significantly lower in the banking group compared with the non‐banking group (Log rank test, chi‐square = 21.958, p < 0.001).

Conclusions

Embryo banking in women undergoing IVF with POR based on the Bologna criteria reduces CLBR and lengthens TTLB when compared with no embryo banking.
Widespread microplastic pollution in Indiana, USA, rivers
Authors: Conard Whitney M. , O'Reilly Katherine E. , Hartlage Carson , Lamberti Gary A.
Published: August 2023

Microplastics (i.e., plastic particles <5 mm in size) are aquatic contaminants of emerging concern but are poorly quantified in flowing waters of the midwestern USA. Microplastics enter streams and rivers through a variety of pathways (e.g., wastewater effluent, breakdown of larger plastic debris, atmospheric deposition) and can potentially harm aquatic organisms through both direct consumption and indirect contamination from sorbed toxins. In this study, we quantified microplastic concentrations and types (i.e., beads, fibers, films, foams, fragments) in nine Indiana watersheds representing a gradient of dominant land use (i.e., agricultural, urban, and forested). We predicted that microplastic concentration would be higher in watersheds with higher percentages of urban and agricultural land use than in forested watersheds. Our results revealed measurable quantities of microplastics in samples from all watersheds, but microplastic concentration did not vary significantly with land use or longitudinally within watersheds. Fibers were the dominant form of microplastic at all sites, suggesting that fibers may be transported primarily through atmospheric deposition rather than via direct runoff from the surrounding landscape. We conclude that rivers have a different microplastic “signature” than large lakes, likely due to retention characteristics of flowing water ecosystems, unique microplastic sources, and a shorter legacy of microplastic pollution.
The development and initial validation of the Earthquake Fear Scale: Its links to personality traits, psychological distress, harmony in life, and mental wellbeing
Authors: Satıcı Seydi Ahmet , Okur Sinan , Deniz M. Engin , Karaağaç Zahide Gül , Yılmaz Fatma Betül , Kütük Hasan , Satıcı Begüm , Kaya Yağmur
Published: August 2023

Unexpected and unpredictable earthquakes may have a negative impact on people's mental health. The earthquake fear experienced by individuals causes psychological problems. This article is made up of three different studies that look at earthquake fear. The seven item Earthquake Fear Scale (EFS) was confirmed in Study I (N = 407) utilising confirmatory factor analysis. In addition, Item Response Analysis was done, and it was found that all of the items showed a good degree of discrimination. The reliability of the EFS has been proven with different reliability coefficients. In Study II (N = 505), both correlation and network analysis were carried out, and earthquake fear was found to be significantly associated with depression, anxiety, stress, and mental wellbeing. Moreover, neuroticism and conscientiousness, two of the big five personality traits, are significantly associated with earthquake fear. In Study III (N = 382), it was revealed that psychological distress and harmony in life play a serial and fully mediating role in the link between earthquake fear and mental wellbeing. The psychological influence of earthquake fear is emphasised in this pioneering and comprehensive study on earthquake fear.
Molecular Diffusion in Nanoreactors’ Pore Channel System: Measurement Techniques, Structural Regulation, and Catalytic Effects
Authors: Yan Kai , Lu Xuebin , Zhang Rui , Xiong Jian , Qiao Yina , Li Xiaoyun , Yu Zhihao
Published: August 2023

Nanoreactors, as a new class of materials with highly enriched and ordered pore channel structures, can achieve special catalytic effects by precisely identifying and controlling the molecular diffusion behavior within the ordered pore channel system. Nanoreactors‐driven molecular diffusion within the ordered pore channels can be highly dependent on the local microenvironment in the nanoreactors’ pore channel system. Although the diffusion process of molecules within the ordered pore channels of nanoreactors is crucial for the regulation of catalytic behaviors, it has not yet been as clearly elucidated as it deserves to be in this study. In this review, fundamental theory and measurement techniques for molecular diffusion in the pore channel system of nanoreactors are presented, structural regulation strategies of pore channel parameters for controlling molecular diffusion are discussed, and the effects of molecular diffusion in the pore channel system on catalytic reactivity and selectivity are further analyzed. This article attempts to further develop the underlying theory of molecular diffusion within the theoretical framework of nanoreactor‐driven catalysis, and the proposed perspectives may contribute to the rational design of advanced catalytic materials and the precise control of complex catalytic kinetics.
In Situ Cross‐Linking Strategy to Enable Highly Stable Perovskite Solar Cells
Authors: Liu Kai , Hu Tianxiang , Rafique Saqib , Liu Fengcai , Zhan Yiqiang , Ding Liming
Published: August 2023

The perovskite solar cells (PSCs) have achieved great success in power conversion efficiency due to their excellent optoelectrical properties of perovskite. However, the instability of PSCs severely impedes their commercialization. Recently, in situ cross‐linking strategy has been proposed to mitigate stability issues of PSCs, enabling highly efficient and stable PSCs. Here, the critical factors that lead to the degradation of PSCs are first outlined. Then, a comprehensive review of in situ cross‐linking strategy in perovskite to enhance the moisture, thermal, illumination, and bending stress resistance properties of PSCs is presented. Furthermore, the detailed mechanism underlying these advantageous effects is discussed pertaining to crystallization regulation, immobilization of ions, water resistance, and release of unfavorable stress. Finally, the current challenges and further development trends of in situ cross‐linking strategy in PSCs and extension to other optoelectronic devices are prospected.
A Stable Triazole‐Based Covalent Gel for Long‐Term Cycling Zn Anode in Zinc‐Ion Batteries
Authors: Cui Jiawei , Tao Zengren , Wu Jinyi , Ma Shasha , Yang Yangyi , Zhang Jianyong
Published: August 2023

In this work, a functional covalent gel material is developed to resolve the severe dendritic growth and hydrogen evolution reaction toward Zn/electrolyte interface in aqueous zinc‐ion batteries (ZIBs). A covalent gel layer with superior durability forms homogeneously on the surface of Zn foil. The covalent gel with triazole functional groups can uniformize the transport of Zn2+ due to the interactions between Zn2+ ions and the triazole groups in the covalent gel. As a consequence, the symmetrical battery with triazole covalent gel maintains stable Zn plating/stripping for over 3000 h at 1 mA cm−2 and 1 mAh cm−2, and the full cell combined with a V2O5 cathode operates steadily and continuously for at least 1800 cycles at 5 A g−1 with a capacity retention rate of 67.0%. This work provides a train of thought to develop stable covalent gels for the protection of zinc anode toward high‐performance ZIBs.
Protective Cerium Oxide Coating Promoted Ce‐Doping and Reconstruction of High‐Valence NiFe Sulfide toward Robust Overall Water Splitting
Authors: Liu Xiaojing , Cao Shuyi , Li Jingde , Wang Yanji , Xue Wei , Liu Guihua
Published: August 2023

Active and stable electrocatalysts toward oxygen evolution reaction (OER) are essential for alkaline water splitting. Herein, an efficient and durable high‐valence NiFe‐based OER electrocatalyst is developed, featuring a protective CeO2−x coating to prevent the corrosion of carbon substrates during oxidative OER operation, ensuring excellent catalyst stability. The incorporation of a CeO2−x coating also leads to the formation of a Ce‐doped NiFe sulfide catalyst. The Ce modulator enables the dynamic transformation of NiFe sulfide into highly active (oxy)hydroxide species with high‐valence Ni sites and enhanced Ni─O covalency, thereby improving its OER catalytic activity. Accordingly, the prepared NiFeS2/CeO2−x/CC catalyst achieves enhanced OER activity with an overpotential of 260 mV at 100 mA cm−2 in 1.0 m KOH. Moreover, the catalyst achieves 100 mA cm−2 current density at an overpotential of 187 mV for the hydrogen evolution reaction. The anion exchange membrane water electrolyzer reached 500 mA cm−2 at 1.73 V cell voltage with excellent stability for 500 h continuous operation. This study demonstrates a promising approach for the fabrication of robust water‐splitting electrocatalysts.
Polypyrrole‐Doped NH4V3O8 with Oxygen Vacancies as High‐Performance Cathode Material for Aqueous Zinc‐Ion Batteries
Authors: Cai Xuanxuan , Zhang Yu , Cheng Huanhuan , Liu Chenfan , Wang Zhiwen , Ye Hang , Pan Yanliang , Jia Dianzeng , Lin He
Published: August 2023

The inherent slow diffusion dynamics of aqueous zinc‐ion batteries (AZIBs) act as a significant hindrance to their universal utilization as energy storage systems, largely attributed to the scarcity of superior cathode materials. In this study, a novel method that amalgamates oxygen defect engineering and polymer intercalation, guided by theoretical computations, to confront this challenge, is introduced. This approach begins with density functional theory calculations, demonstrating that the shielding effect rendered by polypyrrole (PPy) between NH4V3O8 (NVO) layers, along with the cooperative influence of oxygen defects (Od), optimizes the kinetic transport of Zn2+. Leveraging these theoretical outcomes, a two‐step hydrothermal synthesis procedure is devised to fabricate PPy‐intercalated NVO embedded with Od (NVO‐Od@PPy). The empirical findings corroborate the theoretical predictions, showcasing that the NVO‐Od@PPy//Zn system manifests exceptional cycling stability. Specifically, the NVO‐Od@PPy electrode delivers an optimal reversible capacity, yielding 421 mAh g−1 at a current density of 0.1 A g−1. Remarkably, even at an elevated current density of 10 A g−1, it sustains a capacity of 175.7 mAh g−1, while maintaining a capacity retention of 99% over 1000 cycles. This research provides pivotal insights for the engineering of high‐performing cathode materials for AZIBs, paving the way for their future advancements.
Pore‐Matched Sponge for Microorganisms Pushes Electron Extraction Limit in Microbial Fuel Cells
Authors: Feng Ke , Lu Yi , Wang Qiaoli , Ji Zhenyi , Li Wei , Chen Jianmeng , Zhang Shihan , Zhao Jingkai
Published: August 2023

Microbial fuel cells (MFCs) are of great potential for wastewater remediation and chemical energy recovery. Nevertheless, limited by inefficient electron transfer between microorganisms and electrode, the remediation capacity and output power density of MFCs are still far away from the demand of practical application. Herein, a pore‐matching strategy is reported to develop uniform electroactive biofilms by inoculating microorganisms inside a pore‐matched sponge, which is assembled of core–shell polyaniline@carbon nanotube (PANI@CNT). The maximum power density achieved by the PANI@CNT bioanode is 7549.4 ± 27.6 mW m−2, which is higher than the excellent MFCs with proton exchange membrane reported to date, while the coulombic efficiency also attains a considerable 91.7 ± 1.2%. The PANI@CNT sponge enriches the exoelectrogen Geobacter significantly, and is proved to play the role of conductive pili in direct electron transfer as it down‐regulates the gene encoding pilA. This work exemplifies a practicable strategy to develop excellent bioanode to boost electron extraction in MFCs and provides in‐depth insights into the enhancement mechanism.
Managing Interface Defects via Mixed‐Salt Passivation toward Efficient and Stable Perovskite Solar Cells
Authors: Qiu Fazheng , Liu Qiuju , Liu Yanfeng , Wu Jinpeng
Published: August 2023

Iodine vacancies and uncoordinated Pb0 defects existing at the perovskite surface have been widely demonstrated to induce deep‐level defects, which can greatly limit improvement of the efficiency and stability of perovskite solar cells (PSCs). In this work, a novel strategy is proposed for functionalizing perovskite surface by using trimethylsulfoxonium iodide (TMSI), which can enhance the defect formation energy and inhibit Pb0 defects. Meanwhile, TMSI modification also can fill the iodine vacancies of perovskite surface‐terminating ends. Consequently, the optimized device shows the improved charge dynamics and the reduced energy losses, achieving a champion efficiency of up to 24.03% along with excellent air‐storage and thermal stabilities. This work offers guidelines for more efficient and stable PSCs based on the management of interface defects.
Nitrate Radical Induced “Two in One” Interface Engineering toward High Reversibility of Zn Metal Anode
Authors: Wang Panpan , Sun Bin , Bao Kangkang , Yang Hengyu , Liang Yongle , Wang Minghui , Wei Xiaolin , Yang Liwen
Published: August 2023

Advanced interfacial engineering performs a forceful modulation effect on Zn2+ plating/stripping with simultaneous inhibition of hydrogen evolution reaction, chemical corrosion, and dendrite growth, which is responsible for high reversibility of Zn anode. Herein, a “two in one” interface engineering is developed to improve the reversibility of Zn anode, in which multi‐functional Zn5(NO3)2(OH)8·2H2O layer and preferential Zn (002) texture are constructed simultaneously. Due to nucleophilicity to Zn2+ arising from electronegativity, the layer can accelerate the desolvation process of [Zn (H2O)6]2+ and transfer kinetics of Zn2+ ions, leading to uniform nucleation and effective inhibition of water‐induced side reactions. Meanwhile, the latter is beneficial to guiding   Zn (002)‐preferred orientation deposition with compact structure. Consequently, the Zn electrodes with such complementary interface modulation exhibit prominent reversibility. With an area capacity of 1 mAh cm−2 at 1 mA cm−2, the symmetric cell operates steadily for 4000 h. Highly reversible Zn anode is maintained even at 50 mA cm−2. For full cells coupled with MnO2 cathode, impressive rate capability and cycling stability with a high capacity beyond 100 mAh g−1 at 1 A g−1 after 2000 cycles are achieved. The results provide new insights into Zn anodes with high reversibility for next‐generation aqueous zinc ion batteries.
Alloying‐Induced Synthesis of Amorphous PdZnS Hollow Spheres as Enhanced Oxygen Reduction Catalysts
Authors: Zhao Donghui , Zhu Rui , Sun Yiwen , Wang Qian , Yu Jialong , Jin Hui , Chen Hongyu , Wang Yawen
Published: August 2023

Amorphous alloys have multiple advantages in electrocatalysis, yet the isotropic nature makes their syntheses a great obstacle in application. In this work, it is shown that the Zn2+ can interfere with the crystallization of Pd‐base structures to form amorphous alloy materials. By simply adjusting the Zn2+ content, unique PdZnS amorphous hollow spheres (AHS) with various compositions and degrees of crystallinity can be obtained through a facile one‐pot wet chemical method. Owing to both the amorphous nature and hollow morphologies, the PdZnS AHSs possess appealing activities and stabilities as oxygen reduction catalysts. Typically, the Pd20ZnS10 AHSs exhibit the highest half‐wave potential (E1/2) of 0.940 V (vs reversible hydrogen electrode), and such E1/2 only negatively shifts 25 mV after 60 000 cycles.
The effect of bilateral currency swap agreements on foreign capital inflows: Evidence from China
Authors: Jiang Lingduo , Liu Shuangshuang , Zhang Guofeng
Published: August 2023

This study empirically explores the effect of bilateral currency swap agreements (BCSAs) on foreign capital inflows. Using data on foreign enterprises' cross‐border investments in China over 2005–2020 released by Bureau van Dijk (BvD) Zephyr database, a multiperiod difference‐in‐differences (DID) estimation is used based on the signing of China's BCSAs over the period of 2009–2020. We find that the signing of BCSAs increases the total amount of foreign capital inflows by 9.97% and the number of foreign capital projects by 8.68% on average. Moreover, foreign capital inflows that come from economies with higher bilateral exchange fluctuations, fewer foreign exchange reserves, higher interest rates, higher tax rates, and lower institutional qualities are more responsive to the signing of BCSAs, especially for those horizontal capital inflows.
Decentralized response as a pandemic second‐best: The case of Russia
Authors: Maltsev Vladimir V.
Published: August 2023

Centralized state response is almost universally considered as the first best option for managing pandemics. This paper argues that in reality, states fall short of this ideal. Knowledge problems hinder the government's disease acknowledgement, resource allocation and feedback, while compulsion, political predation, and corruption exacerbate the situation further. On the other hand, a decentralized, voluntary response may overcome knowledge problems and opportunism through effective signals such as prices, better incentives, local knowledge, and internalization of disease‐related externalities. This results in a speedier, more effective, and responsive pandemic management, which also accounts for differences in risk preferences, and becomes a feasible second‐best option. I then apply these insights to Russia and its history of disease management. I focus on three diseases: plague, cholera, and COVID‐19, which results in a historical analysis that spans multiple centuries and different institutional settings. I show that government‐led pandemic response in Russia has been riddled with knowledge problems, abuse, political predation, and violence. On the other hand, a decentralized response was quicker and more effective at managing the disease, often emerging even in the most unfavorable circumstances.
Low‐Cost Pentacyclic Nonfullerene Acceptors to Exceed 13% Efficiency by Thermal Annealing‐Free Treatment
Authors: Li Dandan , Xu Yan , Zhao Wenrong , Cui Guanwei , Li Gang , Tang Bo
Published: August 2023

Nonfullerene electron acceptors (NFAs) improve the photoelectrical conversion efﬁciency of organic solar cells (OSCs), but they suffer from high synthetic cost and time‐consuming thermal annealing treatment. Nevertheless, low‐cost NFAs and simple device fabrication are still crucial issues to boosting the commercial application of OSCs. Herein, one kind of low‐cost pentacyclic NFAs based on benzothiadiazole and thiophene derivatives named L1‐EH and L1‐BO with different substitutions is successfully synthesized and characterized. The optimized OSCs based on PM6:L1‐BO (2‐butyloctyl side chain) display an outstanding power conversion efﬁciency of 13.15%. Moreover, OSC devices based on these acceptors operate in thermal annealing‐free conditions. Further studies manifest that the proper side chains in NFAs can induce more favorable face‐on molecule orientation, enhance carrier mobility, balance charge transport, and reduce recombination losses. This research demonstrates that these types of low‐cost NFAs are promising active layer candidates of high‐efﬁciency organic solar cells featuring simple device manufacture.
Effects of Essential Oils and Ultrasonic Treatments on Properties of Edible Coatings and Their Application on Citrus Fruits
Authors: Kumar Nishant , Upadhyay Ashutosh , Shukla Shruti
Published: August 2023

In present study, the effects of orange peel essential oil and ultrasonic treatment on properties of corn starch based edible coating and films including their effects on the shelf life of citrus (Kinnow) fruits are investigated. The ultrasonic approach and essential oil significantly improves the quality characteristics of edible coating formulations, stability, and rheological behaviour of coating materials by reducing the particle size, including antimicrobial activity. The particle size of the coating materials reduces from 2495 nm (control) to 298.8 nm by ultrasonication treatment with improved stability (−39.251 mV) as well as antimicrobial activity. The tensile strength (720 N) and solubility (32.40%) of the CSEOU edible film are also improved as compared to CSEO and CS edible films. The coating formulation enriched with essential oil and ultrasonic treatment (CSEOU) improves the shelf‐life of Kinnow by retarding weight loss (PLW) and microbial load, as well as maintaining higher acidity (TA), total soluble solids (TSS), and higher antioxidant activity. CSEOU treated samples indicate lowest weight loss (24.57%), pH (3.89) with higher TA (3.999%), firmness (494.229 N), phenolic (26.17 mg 100 g−1), flavonoid (34.11 mg 100 g−1), antioxidant (49.04%), and antimicrobial activity against A. niger, E. coli and S. aureus as compared to other samples.
Team and communication impacts of remote work for complex aerospace system development
Authors: Ferguson Sharon , van Velzen Eric , Olechowski Alison
Published: August 2023

Remote work is becoming increasingly common, a trend accelerated by the global COVID‐19 pandemic. Existing remote work research fails to address the challenges and needs of engineers working remotely in Complex Aerospace System Development (CASD), the field responsible for creating and operating aerospace systems. This article presents an exploratory study to understand the challenges, benefits, and strategies when working remotely in CASD. We interviewed 12 CASD engineers working remotely at a major aerospace corporation. We ground our findings in six characteristics of CASD work (complex systems; design paths and feedback loops; relationships with suppliers, customers and regulators; distinct knowledge and skills; one‐off innovation; and high cost of experimentation) and discuss how each of these characteristics challenges remote work. The findings show that CASD requires many teams to work together, and this is encouraged through informal communication, which almost disappears in a remote setting. CASD requires frequent feedback, and we found that feedback was slow when working remotely. Participants found it challenging to demonstrate systems to customers and verify drawings with suppliers, and the interpersonal relationships, which help to bridge disciplinary divides, were harder to maintain remotely. The one‐off nature of the systems designed meant that conceptual work was important, but participants lacked the virtual tools to do this effectively. Lastly, testing hardware components required close virtual communication between technicians and engineers, which was tricky in a detail‐oriented context. This study motivates areas for future work to better understand and address the nuances of remote work by engineers in CASD.
Limno‐assessment of phytoplankton composition in relation to environmental conditions of lakes in Antalya River Basin
Authors: Çelekli Abuzer , Lekesiz Ömer , Çetin Tolga
Published: August 2023

Human‐induced factors and global climate change have threatened freshwater resources. Phytoplankton assessments have been used to predict impairment of lentic ecosystems. The aim of the study was to assess species‐stressor associations and the ecological status of eight lakes in the Antalya River basin using phytoplankton indices throughout wet and dry periods according to the Water Framework Directive. The analysis of similarities test revealed a significant difference in the composition of species between the wet (May) and dry (August and November) seasons (p < 0.05). The canonical correspondence analysis indicated that alkalinity, electrical conductivity (EC), pH, total phosphorus (TP), and arsenic (As) had significant effects on the distribution of phytoplankton among lakes. Lake Titreyen was associated with high EC and characterized by pollution‐tolerant species. Lake Eğri was under the pressure of TP and As, while Lake Kırkgöz was associated with relatively high alkalinity. The findings of the phyto‐assessment indicated that Lake Eğri is in good ecological condition, while Lake Duruca is in high ecological condition. Søndergaard metric based on the cyanobacteria biovolume values indicated that Lake Eğri had a moderate ecological status, whereas Lake Duruca had a good environmental condition. To evaluate the ecological status of lakes, the modified phytoplankton trophic index could be a suitable metric. Results of the present study underlined the responses of phytoplankton species in various lakes to environmental variables, which provide crucial ecological information about their ecology and help in the estimation of the ecological status of lakes.
Review on model development techniques for dam break flood wave propagation
Authors: Peramuna P. D. P. O. , Neluwala N. G. P. B. , Wijesundara K. K. , DeSilva S. , Venkatesan S. , Dissanayake P. B. R.
Published: August 2023

Catastrophic failure of dam structures has often led to severe consequences. The colossal wave receding at a higher velocity from the sudden failure of the dams may obliterate the downstream areas causing loss of lives and property damage. Thus, proper mitigation measures and contingency plans must be formulated beforehand to minimize the impact of such disasters. Consequently, there has been a strong tendency to study dam breach flood modeling using different approaches for both hypothetical dam breach scenarios and real incidents. The technology used for dam breach studies is advancing and a comprehensive review of the existing methodologies would help the modelers in their model development. This paper reviews the state‐of‐the‐art methodologies utilized in studies to propagate the dam break flood wave. Furthermore this guides the selection of methods best suited considering the project‐specific requirements and the complexity of project to simulate the risk to the vulnerable areas generated from the dam break flood flow. Different terrain datasets, mesh generation techniques and calibration techniques have been adapted and adhered to improve computational accuracy, stability and efficiency in modeling dam break floods. The use of high‐resolution global and site‐specific datasets, subgrid models, the choice of roughness coefficients and high‐resolution time steps have to be investigated thoroughly in these models. The paper reviews the existing methodologies with the strengths and limitations facilitating the future dam breach modelers to select the suitable approach in dam break flood wave modeling.

This article is categorized under:

Engineering Water > Sustainable Engineering of Water

Science of Water > Water Extremes

Water and Life > Conservation, Management, and Awareness